USER MOD reduce.3.24.130724 H: found=0, std=0, add=1296, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1286 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 7 MET CE :methyl -176:sc= -0.139 (180deg=-0.0312) USER MOD Set 1.2: B 81 THR OG1 : rot 103:sc= 1.19 USER MOD Set 2.1: A 74 MET CE :methyl 159:sc=-5.35e-05 (180deg=-0.0498) USER MOD Set 2.2: B 74 MET CE :methyl 162:sc= -0.0031 (180deg=-0.0468) USER MOD Set 3.1: B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 81 THR OG1 : rot 103:sc= 1.22 USER MOD Set 4.2: B 7 MET CE :methyl -176:sc= -0.0889 (180deg=-0.0137) USER MOD Set 5.1: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -149:sc= 0.37 (180deg=0.0936) USER MOD Single : A 1 SER OG : rot -114:sc= 0.799 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.26) USER MOD Single : A 16 GLN : amide:sc= -3.09! C(o=-3.1!,f=-3.8!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=-0.035) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0.867 (180deg=0.804) USER MOD Single : A 30 SER OG : rot -90:sc= 0.0345 USER MOD Single : A 37 ASN : amide:sc= -0.0776 K(o=-0.078,f=-0.76) USER MOD Single : A 38 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2.2!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 42 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=-0.33) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.36) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 80:sc= 0.787 USER MOD Single : A 68 CYS SG : rot -15:sc= 0.282 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -71:sc= 0.286 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -79:sc= 0.307 USER MOD Single : B 1 SER N :NH3+ -149:sc= 0.362 (180deg=0.0944) USER MOD Single : B 1 SER OG : rot -115:sc= 0.711 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.3) USER MOD Single : B 16 GLN : amide:sc= -2.98! C(o=-3!,f=-3.7!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= -0.0325 X(o=-0.033,f=-0.033) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 169:sc= 0.868 (180deg=0.801) USER MOD Single : B 30 SER OG : rot -89:sc= 0.0307 USER MOD Single : B 37 ASN : amide:sc= -0.0785 K(o=-0.079,f=-0.81) USER MOD Single : B 38 ASN : amide:sc= -1.78! C(o=-1.8!,f=-2.4!) USER MOD Single : B 41 SER OG : rot 180:sc= 0.0264 USER MOD Single : B 42 HIS : no HD1:sc=-0.00849 X(o=-0.0085,f=-0.32) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.37) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 74:sc= 0.789 USER MOD Single : B 68 CYS SG : rot -21:sc= 0.349 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 78 SER OG : rot -71:sc= 0.147 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot -75:sc= 0.348 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 -10.560 4.992 12.392 1.00 0.00 N ATOM 21 CA SER A 1 -10.725 3.515 12.506 1.00 0.00 C ATOM 22 C SER A 1 -9.363 2.875 12.776 1.00 0.00 C ATOM 23 O SER A 1 -8.334 3.508 12.648 1.00 0.00 O ATOM 24 CB SER A 1 -11.298 2.960 11.200 1.00 0.00 C ATOM 25 OG SER A 1 -10.237 2.731 10.283 1.00 0.00 O ATOM 0 H1 SER A 1 -11.423 5.465 12.728 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.751 5.297 12.971 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.390 5.247 11.398 1.00 0.00 H new ATOM 0 HA SER A 1 -11.407 3.287 13.325 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.836 2.032 11.391 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.015 3.663 10.776 1.00 0.00 H new ATOM 0 HG SER A 1 -10.325 3.342 9.522 1.00 0.00 H new ATOM 31 N GLU A 2 -9.346 1.626 13.150 1.00 0.00 N ATOM 32 CA GLU A 2 -8.047 0.954 13.429 1.00 0.00 C ATOM 33 C GLU A 2 -7.130 1.092 12.213 1.00 0.00 C ATOM 34 O GLU A 2 -5.927 1.197 12.338 1.00 0.00 O ATOM 35 CB GLU A 2 -8.290 -0.529 13.715 1.00 0.00 C ATOM 36 CG GLU A 2 -8.935 -0.688 15.093 1.00 0.00 C ATOM 37 CD GLU A 2 -10.266 0.066 15.124 1.00 0.00 C ATOM 38 OE1 GLU A 2 -10.246 1.251 15.414 1.00 0.00 O ATOM 39 OE2 GLU A 2 -11.282 -0.554 14.858 1.00 0.00 O ATOM 0 H GLU A 2 -10.174 1.043 13.274 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.577 1.420 14.295 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.937 -0.956 12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.348 -1.076 13.678 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.098 -1.744 15.310 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.269 -0.303 15.865 1.00 0.00 H new ATOM 46 N LEU A 3 -7.689 1.078 11.034 1.00 0.00 N ATOM 47 CA LEU A 3 -6.850 1.193 9.809 1.00 0.00 C ATOM 48 C LEU A 3 -6.138 2.553 9.794 1.00 0.00 C ATOM 49 O LEU A 3 -4.946 2.633 9.573 1.00 0.00 O ATOM 50 CB LEU A 3 -7.746 1.045 8.562 1.00 0.00 C ATOM 51 CG LEU A 3 -6.965 0.381 7.421 1.00 0.00 C ATOM 52 CD1 LEU A 3 -7.858 0.281 6.182 1.00 0.00 C ATOM 53 CD2 LEU A 3 -5.723 1.216 7.091 1.00 0.00 C ATOM 0 H LEU A 3 -8.691 0.992 10.867 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.097 0.405 9.804 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.625 0.448 8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.104 2.024 8.245 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.656 -0.618 7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.303 -0.191 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.739 -0.317 6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.169 1.280 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.170 0.741 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.028 2.217 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.086 1.284 7.973 1.00 0.00 H new ATOM 65 N GLU A 4 -6.852 3.623 10.028 1.00 0.00 N ATOM 66 CA GLU A 4 -6.196 4.961 10.023 1.00 0.00 C ATOM 67 C GLU A 4 -4.974 4.922 10.943 1.00 0.00 C ATOM 68 O GLU A 4 -3.896 5.356 10.590 1.00 0.00 O ATOM 69 CB GLU A 4 -7.187 6.024 10.518 1.00 0.00 C ATOM 70 CG GLU A 4 -8.140 6.410 9.383 1.00 0.00 C ATOM 71 CD GLU A 4 -8.882 5.166 8.890 1.00 0.00 C ATOM 72 OE1 GLU A 4 -8.357 4.494 8.018 1.00 0.00 O ATOM 73 OE2 GLU A 4 -9.964 4.908 9.393 1.00 0.00 O ATOM 0 H GLU A 4 -7.854 3.628 10.221 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.882 5.213 9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.753 5.640 11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.647 6.904 10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.853 7.157 9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.581 6.861 8.563 1.00 0.00 H new ATOM 80 N LYS A 5 -5.144 4.386 12.121 1.00 0.00 N ATOM 81 CA LYS A 5 -4.010 4.289 13.081 1.00 0.00 C ATOM 82 C LYS A 5 -2.794 3.692 12.373 1.00 0.00 C ATOM 83 O LYS A 5 -1.676 4.141 12.532 1.00 0.00 O ATOM 84 CB LYS A 5 -4.417 3.361 14.228 1.00 0.00 C ATOM 85 CG LYS A 5 -5.727 3.858 14.844 1.00 0.00 C ATOM 86 CD LYS A 5 -5.961 3.159 16.185 1.00 0.00 C ATOM 87 CE LYS A 5 -7.397 3.414 16.648 1.00 0.00 C ATOM 88 NZ LYS A 5 -7.648 2.675 17.918 1.00 0.00 N ATOM 0 H LYS A 5 -6.028 4.008 12.461 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.763 5.280 13.462 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.539 2.342 13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.633 3.335 14.985 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.687 4.938 14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.558 3.657 14.168 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.784 2.088 16.085 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.256 3.530 16.929 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.558 4.482 16.798 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.101 3.090 15.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.624 2.848 18.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.511 1.656 17.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.985 3.004 18.648 1.00 0.00 H new ATOM 102 N ALA A 6 -3.021 2.670 11.593 1.00 0.00 N ATOM 103 CA ALA A 6 -1.912 2.002 10.857 1.00 0.00 C ATOM 104 C ALA A 6 -1.516 2.826 9.624 1.00 0.00 C ATOM 105 O ALA A 6 -0.369 2.834 9.226 1.00 0.00 O ATOM 106 CB ALA A 6 -2.377 0.600 10.430 1.00 0.00 C ATOM 0 H ALA A 6 -3.943 2.264 11.433 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.040 1.921 11.506 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.574 0.099 9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.637 0.018 11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.250 0.688 9.783 1.00 0.00 H new ATOM 112 N MET A 7 -2.434 3.529 9.023 1.00 0.00 N ATOM 113 CA MET A 7 -2.057 4.344 7.835 1.00 0.00 C ATOM 114 C MET A 7 -1.012 5.377 8.273 1.00 0.00 C ATOM 115 O MET A 7 0.023 5.545 7.651 1.00 0.00 O ATOM 116 CB MET A 7 -3.306 5.051 7.285 1.00 0.00 C ATOM 117 CG MET A 7 -3.096 5.421 5.811 1.00 0.00 C ATOM 118 SD MET A 7 -3.401 3.965 4.779 1.00 0.00 S ATOM 119 CE MET A 7 -2.235 4.369 3.456 1.00 0.00 C ATOM 0 H MET A 7 -3.415 3.575 9.297 1.00 0.00 H new ATOM 0 HA MET A 7 -1.642 3.710 7.051 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.175 4.401 7.385 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.511 5.949 7.868 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.770 6.229 5.528 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.080 5.784 5.657 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.312 3.625 2.663 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.469 5.354 3.053 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.220 4.372 3.854 1.00 0.00 H new ATOM 129 N VAL A 8 -1.270 6.055 9.358 1.00 0.00 N ATOM 130 CA VAL A 8 -0.297 7.062 9.860 1.00 0.00 C ATOM 131 C VAL A 8 0.989 6.348 10.278 1.00 0.00 C ATOM 132 O VAL A 8 2.078 6.857 10.103 1.00 0.00 O ATOM 133 CB VAL A 8 -0.898 7.789 11.064 1.00 0.00 C ATOM 134 CG1 VAL A 8 0.001 8.964 11.451 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.287 8.315 10.698 1.00 0.00 C ATOM 0 H VAL A 8 -2.116 5.953 9.919 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.074 7.786 9.077 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.977 7.098 11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.427 9.482 12.309 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.993 8.594 11.709 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.078 9.655 10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.717 8.834 11.555 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.205 9.006 9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.930 7.480 10.419 1.00 0.00 H new ATOM 145 N ALA A 9 0.872 5.164 10.820 1.00 0.00 N ATOM 146 CA ALA A 9 2.090 4.413 11.235 1.00 0.00 C ATOM 147 C ALA A 9 3.002 4.237 10.021 1.00 0.00 C ATOM 148 O ALA A 9 4.192 4.462 10.087 1.00 0.00 O ATOM 149 CB ALA A 9 1.683 3.037 11.767 1.00 0.00 C ATOM 0 H ALA A 9 -0.013 4.687 10.992 1.00 0.00 H new ATOM 0 HA ALA A 9 2.615 4.963 12.016 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.573 2.487 12.071 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.022 3.160 12.625 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.164 2.483 10.985 1.00 0.00 H new ATOM 155 N LEU A 10 2.455 3.826 8.913 1.00 0.00 N ATOM 156 CA LEU A 10 3.303 3.628 7.701 1.00 0.00 C ATOM 157 C LEU A 10 4.183 4.866 7.512 1.00 0.00 C ATOM 158 O LEU A 10 5.379 4.772 7.317 1.00 0.00 O ATOM 159 CB LEU A 10 2.384 3.455 6.464 1.00 0.00 C ATOM 160 CG LEU A 10 2.109 1.966 6.191 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.233 1.387 7.303 1.00 0.00 C ATOM 162 CD2 LEU A 10 1.382 1.826 4.851 1.00 0.00 C ATOM 0 H LEU A 10 1.464 3.619 8.792 1.00 0.00 H new ATOM 0 HA LEU A 10 3.928 2.743 7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.443 3.979 6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.853 3.909 5.591 1.00 0.00 H new ATOM 0 HG LEU A 10 3.054 1.424 6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.042 0.333 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.745 1.489 8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.287 1.927 7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.185 0.773 4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.439 2.371 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.004 2.235 4.055 1.00 0.00 H new ATOM 174 N ILE A 11 3.593 6.029 7.588 1.00 0.00 N ATOM 175 CA ILE A 11 4.394 7.273 7.434 1.00 0.00 C ATOM 176 C ILE A 11 5.391 7.344 8.590 1.00 0.00 C ATOM 177 O ILE A 11 6.555 7.647 8.416 1.00 0.00 O ATOM 178 CB ILE A 11 3.466 8.489 7.485 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.476 8.424 6.320 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.295 9.770 7.376 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.376 9.468 6.524 1.00 0.00 C ATOM 0 H ILE A 11 2.596 6.169 7.749 1.00 0.00 H new ATOM 0 HA ILE A 11 4.920 7.268 6.479 1.00 0.00 H new ATOM 0 HB ILE A 11 2.920 8.489 8.428 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.994 8.606 5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.039 7.428 6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.634 10.636 7.412 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.001 9.818 8.205 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.842 9.770 6.433 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.671 9.421 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.851 9.266 7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.821 10.462 6.566 1.00 0.00 H new ATOM 193 N ASP A 12 4.925 7.056 9.775 1.00 0.00 N ATOM 194 CA ASP A 12 5.803 7.087 10.974 1.00 0.00 C ATOM 195 C ASP A 12 7.083 6.295 10.711 1.00 0.00 C ATOM 196 O ASP A 12 8.177 6.758 10.964 1.00 0.00 O ATOM 197 CB ASP A 12 5.056 6.433 12.147 1.00 0.00 C ATOM 198 CG ASP A 12 5.745 6.796 13.465 1.00 0.00 C ATOM 199 OD1 ASP A 12 6.128 7.944 13.613 1.00 0.00 O ATOM 200 OD2 ASP A 12 5.877 5.919 14.303 1.00 0.00 O ATOM 0 H ASP A 12 3.957 6.797 9.963 1.00 0.00 H new ATOM 0 HA ASP A 12 6.059 8.121 11.205 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.019 6.769 12.163 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.038 5.350 12.021 1.00 0.00 H new ATOM 205 N VAL A 13 6.948 5.084 10.228 1.00 0.00 N ATOM 206 CA VAL A 13 8.156 4.244 9.979 1.00 0.00 C ATOM 207 C VAL A 13 8.868 4.667 8.691 1.00 0.00 C ATOM 208 O VAL A 13 10.080 4.625 8.621 1.00 0.00 O ATOM 209 CB VAL A 13 7.755 2.769 9.908 1.00 0.00 C ATOM 210 CG1 VAL A 13 8.977 1.921 9.546 1.00 0.00 C ATOM 211 CG2 VAL A 13 7.214 2.325 11.270 1.00 0.00 C ATOM 0 H VAL A 13 6.057 4.644 9.997 1.00 0.00 H new ATOM 0 HA VAL A 13 8.852 4.387 10.806 1.00 0.00 H new ATOM 0 HB VAL A 13 6.986 2.638 9.147 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.689 0.871 9.496 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.366 2.237 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.748 2.050 10.306 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.927 1.274 11.223 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.986 2.457 12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.343 2.927 11.530 1.00 0.00 H new ATOM 221 N PHE A 14 8.166 5.071 7.672 1.00 0.00 N ATOM 222 CA PHE A 14 8.894 5.474 6.436 1.00 0.00 C ATOM 223 C PHE A 14 9.756 6.696 6.753 1.00 0.00 C ATOM 224 O PHE A 14 10.831 6.875 6.215 1.00 0.00 O ATOM 225 CB PHE A 14 7.911 5.821 5.317 1.00 0.00 C ATOM 226 CG PHE A 14 8.690 6.157 4.064 1.00 0.00 C ATOM 227 CD1 PHE A 14 9.156 7.462 3.854 1.00 0.00 C ATOM 228 CD2 PHE A 14 8.951 5.161 3.114 1.00 0.00 C ATOM 229 CE1 PHE A 14 9.883 7.770 2.695 1.00 0.00 C ATOM 230 CE2 PHE A 14 9.676 5.470 1.956 1.00 0.00 C ATOM 231 CZ PHE A 14 10.142 6.773 1.747 1.00 0.00 C ATOM 0 H PHE A 14 7.149 5.140 7.637 1.00 0.00 H new ATOM 0 HA PHE A 14 9.517 4.645 6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.241 4.981 5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.288 6.666 5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.955 8.231 4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.593 4.155 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.243 8.775 2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.876 4.702 1.224 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.702 7.009 0.854 1.00 0.00 H new ATOM 241 N HIS A 15 9.278 7.541 7.627 1.00 0.00 N ATOM 242 CA HIS A 15 10.044 8.764 7.995 1.00 0.00 C ATOM 243 C HIS A 15 11.178 8.403 8.958 1.00 0.00 C ATOM 244 O HIS A 15 12.227 9.017 8.959 1.00 0.00 O ATOM 245 CB HIS A 15 9.101 9.762 8.670 1.00 0.00 C ATOM 246 CG HIS A 15 9.863 11.006 9.037 1.00 0.00 C ATOM 247 ND1 HIS A 15 9.706 12.197 8.346 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.787 11.260 10.019 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.517 13.106 8.918 1.00 0.00 C ATOM 250 NE2 HIS A 15 11.199 12.587 9.943 1.00 0.00 N ATOM 0 H HIS A 15 8.383 7.434 8.104 1.00 0.00 H new ATOM 0 HA HIS A 15 10.470 9.207 7.095 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.279 10.011 8.000 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.661 9.316 9.562 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.141 10.539 10.741 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.606 14.131 8.588 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.876 13.061 10.541 1.00 0.00 H new ATOM 258 N GLN A 16 10.964 7.422 9.795 1.00 0.00 N ATOM 259 CA GLN A 16 12.014 7.031 10.779 1.00 0.00 C ATOM 260 C GLN A 16 13.327 6.736 10.052 1.00 0.00 C ATOM 261 O GLN A 16 14.384 7.158 10.476 1.00 0.00 O ATOM 262 CB GLN A 16 11.556 5.787 11.549 1.00 0.00 C ATOM 263 CG GLN A 16 12.414 5.601 12.806 1.00 0.00 C ATOM 264 CD GLN A 16 13.831 5.186 12.406 1.00 0.00 C ATOM 265 OE1 GLN A 16 14.782 5.896 12.668 1.00 0.00 O ATOM 266 NE2 GLN A 16 14.015 4.057 11.776 1.00 0.00 N ATOM 0 H GLN A 16 10.105 6.874 9.839 1.00 0.00 H new ATOM 0 HA GLN A 16 12.174 7.851 11.479 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.507 5.887 11.827 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.634 4.906 10.912 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.444 6.528 13.378 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.971 4.843 13.451 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.218 3.460 11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.956 3.772 11.504 1.00 0.00 H new ATOM 275 N TYR A 17 13.279 6.015 8.966 1.00 0.00 N ATOM 276 CA TYR A 17 14.535 5.703 8.231 1.00 0.00 C ATOM 277 C TYR A 17 15.046 6.971 7.546 1.00 0.00 C ATOM 278 O TYR A 17 16.223 7.273 7.575 1.00 0.00 O ATOM 279 CB TYR A 17 14.259 4.624 7.175 1.00 0.00 C ATOM 280 CG TYR A 17 14.177 3.265 7.840 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.104 2.966 8.689 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.172 2.306 7.608 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.025 1.711 9.304 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.093 1.051 8.223 1.00 0.00 C ATOM 285 CZ TYR A 17 14.020 0.754 9.071 1.00 0.00 C ATOM 286 OH TYR A 17 13.943 -0.484 9.678 1.00 0.00 O ATOM 0 H TYR A 17 12.427 5.630 8.558 1.00 0.00 H new ATOM 0 HA TYR A 17 15.286 5.337 8.931 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.326 4.841 6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.050 4.625 6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.337 3.704 8.869 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.000 2.535 6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.197 1.481 9.958 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.860 0.312 8.043 1.00 0.00 H new ATOM 0 HH TYR A 17 14.712 -1.029 9.409 1.00 0.00 H new ATOM 296 N SER A 18 14.169 7.714 6.922 1.00 0.00 N ATOM 297 CA SER A 18 14.596 8.964 6.222 1.00 0.00 C ATOM 298 C SER A 18 14.325 10.186 7.106 1.00 0.00 C ATOM 299 O SER A 18 13.589 11.075 6.728 1.00 0.00 O ATOM 300 CB SER A 18 13.807 9.102 4.920 1.00 0.00 C ATOM 301 OG SER A 18 13.951 7.913 4.155 1.00 0.00 O ATOM 0 H SER A 18 13.171 7.509 6.867 1.00 0.00 H new ATOM 0 HA SER A 18 15.664 8.908 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.754 9.283 5.137 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.168 9.959 4.352 1.00 0.00 H new ATOM 0 HG SER A 18 13.445 7.998 3.320 1.00 0.00 H new ATOM 307 N GLY A 19 14.934 10.254 8.270 1.00 0.00 N ATOM 308 CA GLY A 19 14.742 11.436 9.177 1.00 0.00 C ATOM 309 C GLY A 19 16.102 12.115 9.350 1.00 0.00 C ATOM 310 O GLY A 19 16.204 13.216 9.854 1.00 0.00 O ATOM 0 H GLY A 19 15.561 9.536 8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.019 12.131 8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.348 11.118 10.142 1.00 0.00 H new ATOM 314 N ARG A 20 17.142 11.472 8.899 1.00 0.00 N ATOM 315 CA ARG A 20 18.506 12.067 8.985 1.00 0.00 C ATOM 316 C ARG A 20 18.572 13.313 8.102 1.00 0.00 C ATOM 317 O ARG A 20 19.259 14.259 8.432 1.00 0.00 O ATOM 318 CB ARG A 20 19.544 11.047 8.511 1.00 0.00 C ATOM 319 CG ARG A 20 19.228 9.676 9.113 1.00 0.00 C ATOM 320 CD ARG A 20 20.342 8.693 8.752 1.00 0.00 C ATOM 321 NE ARG A 20 20.449 8.585 7.268 1.00 0.00 N ATOM 322 CZ ARG A 20 19.642 7.798 6.609 1.00 0.00 C ATOM 323 NH1 ARG A 20 19.949 6.540 6.444 1.00 0.00 N ATOM 324 NH2 ARG A 20 18.530 8.268 6.114 1.00 0.00 N ATOM 0 H ARG A 20 17.105 10.548 8.469 1.00 0.00 H new ATOM 0 HA ARG A 20 18.718 12.341 10.019 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.540 10.987 7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.543 11.365 8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.135 9.755 10.196 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.272 9.313 8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.290 9.031 9.172 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.132 7.715 9.184 1.00 0.00 H new ATOM 0 HE ARG A 20 21.154 9.127 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.819 6.172 6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.319 5.925 5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.290 9.251 6.242 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.900 7.652 5.599 1.00 0.00 H new ATOM 338 N GLU A 21 17.864 13.355 7.001 1.00 0.00 N ATOM 339 CA GLU A 21 17.913 14.589 6.151 1.00 0.00 C ATOM 340 C GLU A 21 16.558 14.823 5.482 1.00 0.00 C ATOM 341 O GLU A 21 16.057 15.929 5.458 1.00 0.00 O ATOM 342 CB GLU A 21 18.985 14.431 5.068 1.00 0.00 C ATOM 343 CG GLU A 21 20.276 13.887 5.687 1.00 0.00 C ATOM 344 CD GLU A 21 21.380 13.869 4.627 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.375 12.962 3.811 1.00 0.00 O ATOM 346 OE2 GLU A 21 22.210 14.762 4.651 1.00 0.00 O ATOM 0 H GLU A 21 17.264 12.605 6.657 1.00 0.00 H new ATOM 0 HA GLU A 21 18.154 15.441 6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.631 13.754 4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.177 15.392 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.577 14.507 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.111 12.881 6.073 1.00 0.00 H new ATOM 353 N GLY A 22 15.959 13.802 4.934 1.00 0.00 N ATOM 354 CA GLY A 22 14.639 13.991 4.266 1.00 0.00 C ATOM 355 C GLY A 22 14.721 15.184 3.309 1.00 0.00 C ATOM 356 O GLY A 22 13.720 15.651 2.802 1.00 0.00 O ATOM 0 H GLY A 22 16.323 12.849 4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.363 13.090 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.862 14.161 5.012 1.00 0.00 H new ATOM 360 N ASP A 23 15.902 15.683 3.054 1.00 0.00 N ATOM 361 CA ASP A 23 16.029 16.844 2.127 1.00 0.00 C ATOM 362 C ASP A 23 15.239 16.539 0.855 1.00 0.00 C ATOM 363 O ASP A 23 14.332 17.259 0.487 1.00 0.00 O ATOM 364 CB ASP A 23 17.503 17.063 1.777 1.00 0.00 C ATOM 365 CG ASP A 23 18.244 17.602 3.002 1.00 0.00 C ATOM 366 OD1 ASP A 23 17.844 17.268 4.105 1.00 0.00 O ATOM 367 OD2 ASP A 23 19.198 18.339 2.817 1.00 0.00 O ATOM 0 H ASP A 23 16.779 15.339 3.445 1.00 0.00 H new ATOM 0 HA ASP A 23 15.640 17.745 2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.953 16.126 1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.590 17.765 0.948 1.00 0.00 H new ATOM 372 N LYS A 24 15.557 15.458 0.196 1.00 0.00 N ATOM 373 CA LYS A 24 14.805 15.082 -1.035 1.00 0.00 C ATOM 374 C LYS A 24 13.633 14.187 -0.628 1.00 0.00 C ATOM 375 O LYS A 24 13.433 13.897 0.535 1.00 0.00 O ATOM 376 CB LYS A 24 15.729 14.322 -1.990 1.00 0.00 C ATOM 377 CG LYS A 24 16.871 15.240 -2.431 1.00 0.00 C ATOM 378 CD LYS A 24 17.627 14.595 -3.594 1.00 0.00 C ATOM 379 CE LYS A 24 18.811 15.481 -3.986 1.00 0.00 C ATOM 380 NZ LYS A 24 19.446 14.944 -5.223 1.00 0.00 N ATOM 0 H LYS A 24 16.307 14.818 0.458 1.00 0.00 H new ATOM 0 HA LYS A 24 14.437 15.975 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.130 13.436 -1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.168 13.978 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.476 16.209 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.550 15.419 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.980 13.604 -3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.960 14.462 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.474 16.504 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.539 15.513 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.251 15.546 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.781 13.975 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.749 14.935 -5.995 1.00 0.00 H new ATOM 394 N HIS A 25 12.875 13.726 -1.587 1.00 0.00 N ATOM 395 CA HIS A 25 11.722 12.816 -1.296 1.00 0.00 C ATOM 396 C HIS A 25 11.840 11.616 -2.233 1.00 0.00 C ATOM 397 O HIS A 25 10.884 11.202 -2.860 1.00 0.00 O ATOM 398 CB HIS A 25 10.407 13.553 -1.562 1.00 0.00 C ATOM 399 CG HIS A 25 10.406 14.860 -0.818 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.950 14.969 0.486 1.00 0.00 N ATOM 401 CD2 HIS A 25 10.804 16.123 -1.182 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.083 16.256 0.857 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.599 17.003 -0.123 1.00 0.00 N ATOM 0 H HIS A 25 13.006 13.943 -2.575 1.00 0.00 H new ATOM 0 HA HIS A 25 11.735 12.494 -0.255 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.287 13.730 -2.631 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.563 12.940 -1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 25 11.214 16.393 -2.144 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.806 16.638 1.828 1.00 0.00 H new ATOM 0 HE2 HIS A 25 10.800 18.003 -0.100 1.00 0.00 H new ATOM 411 N LYS A 26 13.023 11.062 -2.331 1.00 0.00 N ATOM 412 CA LYS A 26 13.253 9.886 -3.223 1.00 0.00 C ATOM 413 C LYS A 26 14.030 8.807 -2.463 1.00 0.00 C ATOM 414 O LYS A 26 14.822 9.109 -1.591 1.00 0.00 O ATOM 415 CB LYS A 26 14.077 10.332 -4.432 1.00 0.00 C ATOM 416 CG LYS A 26 13.235 11.253 -5.318 1.00 0.00 C ATOM 417 CD LYS A 26 13.973 11.508 -6.634 1.00 0.00 C ATOM 418 CE LYS A 26 13.118 12.398 -7.537 1.00 0.00 C ATOM 419 NZ LYS A 26 13.952 12.912 -8.661 1.00 0.00 N ATOM 0 H LYS A 26 13.849 11.380 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 26 12.294 9.484 -3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.975 10.852 -4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.404 9.463 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.264 10.798 -5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.047 12.196 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.932 11.987 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.185 10.562 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.272 11.833 -7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.709 13.230 -6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.371 13.517 -9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.745 13.466 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.322 12.112 -9.213 1.00 0.00 H new ATOM 433 N LEU A 27 13.821 7.554 -2.789 1.00 0.00 N ATOM 434 CA LEU A 27 14.555 6.444 -2.094 1.00 0.00 C ATOM 435 C LEU A 27 15.288 5.615 -3.150 1.00 0.00 C ATOM 436 O LEU A 27 14.771 5.370 -4.222 1.00 0.00 O ATOM 437 CB LEU A 27 13.546 5.564 -1.349 1.00 0.00 C ATOM 438 CG LEU A 27 14.274 4.624 -0.373 1.00 0.00 C ATOM 439 CD1 LEU A 27 14.900 5.422 0.791 1.00 0.00 C ATOM 440 CD2 LEU A 27 13.266 3.608 0.181 1.00 0.00 C ATOM 0 H LEU A 27 13.169 7.249 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 27 15.271 6.848 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.841 6.190 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.966 4.979 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 27 15.075 4.109 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.410 4.737 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.617 6.141 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.116 5.952 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.771 2.936 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.468 4.135 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.843 3.030 -0.641 1.00 0.00 H new ATOM 452 N LYS A 28 16.496 5.188 -2.870 1.00 0.00 N ATOM 453 CA LYS A 28 17.253 4.386 -3.882 1.00 0.00 C ATOM 454 C LYS A 28 16.927 2.900 -3.710 1.00 0.00 C ATOM 455 O LYS A 28 16.567 2.457 -2.637 1.00 0.00 O ATOM 456 CB LYS A 28 18.755 4.608 -3.691 1.00 0.00 C ATOM 457 CG LYS A 28 19.506 4.115 -4.930 1.00 0.00 C ATOM 458 CD LYS A 28 21.010 4.308 -4.726 1.00 0.00 C ATOM 459 CE LYS A 28 21.751 3.950 -6.016 1.00 0.00 C ATOM 460 NZ LYS A 28 23.219 4.069 -5.794 1.00 0.00 N ATOM 0 H LYS A 28 16.987 5.358 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 28 16.965 4.704 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.959 5.666 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.102 4.075 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.285 3.063 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 28 19.174 4.664 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 28 21.220 5.341 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 28 21.360 3.680 -3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 28 21.500 2.935 -6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.439 4.613 -6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.723 3.826 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 23.451 5.045 -5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 23.509 3.419 -5.036 1.00 0.00 H new ATOM 474 N LYS A 29 17.047 2.126 -4.753 1.00 0.00 N ATOM 475 CA LYS A 29 16.743 0.670 -4.648 1.00 0.00 C ATOM 476 C LYS A 29 17.703 -0.003 -3.661 1.00 0.00 C ATOM 477 O LYS A 29 17.313 -0.836 -2.868 1.00 0.00 O ATOM 478 CB LYS A 29 16.925 0.032 -6.030 1.00 0.00 C ATOM 479 CG LYS A 29 18.413 0.051 -6.414 1.00 0.00 C ATOM 480 CD LYS A 29 18.570 -0.164 -7.922 1.00 0.00 C ATOM 481 CE LYS A 29 20.007 -0.586 -8.236 1.00 0.00 C ATOM 482 NZ LYS A 29 20.149 -0.814 -9.702 1.00 0.00 N ATOM 0 H LYS A 29 17.344 2.440 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 29 15.720 0.539 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.555 -0.993 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.340 0.575 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.859 1.003 -6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.947 -0.728 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.873 -0.929 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.325 0.753 -8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.704 0.185 -7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.258 -1.495 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.155 -0.934 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.625 -1.671 -9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.767 0.003 -10.219 1.00 0.00 H new ATOM 496 N SER A 30 18.959 0.341 -3.721 1.00 0.00 N ATOM 497 CA SER A 30 19.953 -0.288 -2.807 1.00 0.00 C ATOM 498 C SER A 30 19.529 -0.100 -1.349 1.00 0.00 C ATOM 499 O SER A 30 19.658 -0.997 -0.534 1.00 0.00 O ATOM 500 CB SER A 30 21.321 0.359 -3.022 1.00 0.00 C ATOM 501 OG SER A 30 22.299 -0.350 -2.273 1.00 0.00 O ATOM 0 H SER A 30 19.341 1.033 -4.366 1.00 0.00 H new ATOM 0 HA SER A 30 20.007 -1.354 -3.026 1.00 0.00 H new ATOM 0 HB2 SER A 30 21.579 0.348 -4.081 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.295 1.403 -2.711 1.00 0.00 H new ATOM 0 HG SER A 30 22.376 0.045 -1.379 1.00 0.00 H new ATOM 507 N GLU A 31 19.009 1.051 -1.007 1.00 0.00 N ATOM 508 CA GLU A 31 18.577 1.262 0.408 1.00 0.00 C ATOM 509 C GLU A 31 17.177 0.674 0.579 1.00 0.00 C ATOM 510 O GLU A 31 16.838 0.137 1.615 1.00 0.00 O ATOM 511 CB GLU A 31 18.582 2.755 0.754 1.00 0.00 C ATOM 512 CG GLU A 31 20.015 3.215 1.035 1.00 0.00 C ATOM 513 CD GLU A 31 20.891 2.933 -0.186 1.00 0.00 C ATOM 514 OE1 GLU A 31 21.325 1.802 -0.331 1.00 0.00 O ATOM 515 OE2 GLU A 31 21.114 3.853 -0.956 1.00 0.00 O ATOM 0 H GLU A 31 18.866 1.842 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 31 19.271 0.764 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.160 3.330 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.954 2.938 1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.027 4.280 1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.411 2.695 1.907 1.00 0.00 H new ATOM 522 N LEU A 32 16.370 0.748 -0.446 1.00 0.00 N ATOM 523 CA LEU A 32 15.004 0.166 -0.360 1.00 0.00 C ATOM 524 C LEU A 32 15.151 -1.329 -0.082 1.00 0.00 C ATOM 525 O LEU A 32 14.512 -1.868 0.797 1.00 0.00 O ATOM 526 CB LEU A 32 14.262 0.401 -1.684 1.00 0.00 C ATOM 527 CG LEU A 32 12.744 0.255 -1.496 1.00 0.00 C ATOM 528 CD1 LEU A 32 12.038 0.776 -2.753 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.364 -1.221 -1.267 1.00 0.00 C ATOM 0 H LEU A 32 16.600 1.187 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 32 14.429 0.636 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.491 1.397 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.610 -0.312 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 32 12.435 0.830 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.959 0.678 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.292 1.825 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.360 0.196 -3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.285 -1.303 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.671 -1.814 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.867 -1.592 -0.374 1.00 0.00 H new ATOM 541 N LYS A 33 15.986 -2.017 -0.811 1.00 0.00 N ATOM 542 CA LYS A 33 16.138 -3.474 -0.557 1.00 0.00 C ATOM 543 C LYS A 33 16.423 -3.685 0.931 1.00 0.00 C ATOM 544 O LYS A 33 15.729 -4.411 1.614 1.00 0.00 O ATOM 545 CB LYS A 33 17.301 -4.017 -1.403 1.00 0.00 C ATOM 546 CG LYS A 33 17.141 -5.529 -1.614 1.00 0.00 C ATOM 547 CD LYS A 33 17.232 -6.262 -0.267 1.00 0.00 C ATOM 548 CE LYS A 33 17.605 -7.730 -0.497 1.00 0.00 C ATOM 549 NZ LYS A 33 17.277 -8.521 0.723 1.00 0.00 N ATOM 0 H LYS A 33 16.562 -1.638 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 33 15.226 -4.004 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.328 -3.509 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.249 -3.810 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.182 -5.739 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.915 -5.894 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.978 -5.783 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.278 -6.198 0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.062 -8.124 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.668 -7.815 -0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.530 -9.518 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.814 -8.149 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.258 -8.449 0.920 1.00 0.00 H new ATOM 563 N GLU A 34 17.450 -3.055 1.435 1.00 0.00 N ATOM 564 CA GLU A 34 17.789 -3.228 2.882 1.00 0.00 C ATOM 565 C GLU A 34 16.515 -3.068 3.725 1.00 0.00 C ATOM 566 O GLU A 34 16.332 -3.752 4.712 1.00 0.00 O ATOM 567 CB GLU A 34 18.830 -2.184 3.299 1.00 0.00 C ATOM 568 CG GLU A 34 19.363 -2.506 4.699 1.00 0.00 C ATOM 569 CD GLU A 34 18.319 -2.122 5.749 1.00 0.00 C ATOM 570 OE1 GLU A 34 18.013 -0.946 5.849 1.00 0.00 O ATOM 571 OE2 GLU A 34 17.843 -3.012 6.436 1.00 0.00 O ATOM 0 H GLU A 34 18.067 -2.432 0.914 1.00 0.00 H new ATOM 0 HA GLU A 34 18.205 -4.223 3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.651 -2.171 2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.384 -1.190 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.595 -3.568 4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.291 -1.963 4.879 1.00 0.00 H new ATOM 578 N LEU A 35 15.624 -2.194 3.341 1.00 0.00 N ATOM 579 CA LEU A 35 14.363 -2.033 4.126 1.00 0.00 C ATOM 580 C LEU A 35 13.562 -3.341 4.025 1.00 0.00 C ATOM 581 O LEU A 35 12.965 -3.783 4.987 1.00 0.00 O ATOM 582 CB LEU A 35 13.546 -0.836 3.574 1.00 0.00 C ATOM 583 CG LEU A 35 13.604 0.357 4.548 1.00 0.00 C ATOM 584 CD1 LEU A 35 13.243 1.647 3.806 1.00 0.00 C ATOM 585 CD2 LEU A 35 12.609 0.139 5.694 1.00 0.00 C ATOM 0 H LEU A 35 15.712 -1.588 2.525 1.00 0.00 H new ATOM 0 HA LEU A 35 14.588 -1.827 5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.939 -0.538 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.510 -1.136 3.420 1.00 0.00 H new ATOM 0 HG LEU A 35 14.613 0.438 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.285 2.488 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.951 1.810 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.236 1.562 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.653 0.985 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.601 0.053 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.865 -0.776 6.229 1.00 0.00 H new ATOM 597 N ILE A 36 13.564 -3.980 2.887 1.00 0.00 N ATOM 598 CA ILE A 36 12.828 -5.270 2.747 1.00 0.00 C ATOM 599 C ILE A 36 13.462 -6.315 3.671 1.00 0.00 C ATOM 600 O ILE A 36 12.793 -7.178 4.203 1.00 0.00 O ATOM 601 CB ILE A 36 12.946 -5.744 1.294 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.516 -4.607 0.360 1.00 0.00 C ATOM 603 CG2 ILE A 36 12.038 -6.959 1.070 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.433 -5.116 -1.082 1.00 0.00 C ATOM 0 H ILE A 36 14.045 -3.664 2.045 1.00 0.00 H new ATOM 0 HA ILE A 36 11.780 -5.135 3.014 1.00 0.00 H new ATOM 0 HB ILE A 36 13.978 -6.025 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.548 -4.215 0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.228 -3.784 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.125 -7.293 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.339 -7.766 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.004 -6.683 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.127 -4.301 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.410 -5.486 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.703 -5.924 -1.141 1.00 0.00 H new ATOM 616 N ASN A 37 14.755 -6.260 3.835 1.00 0.00 N ATOM 617 CA ASN A 37 15.456 -7.264 4.689 1.00 0.00 C ATOM 618 C ASN A 37 15.063 -7.113 6.163 1.00 0.00 C ATOM 619 O ASN A 37 15.167 -8.050 6.929 1.00 0.00 O ATOM 620 CB ASN A 37 16.966 -7.065 4.555 1.00 0.00 C ATOM 621 CG ASN A 37 17.697 -8.158 5.335 1.00 0.00 C ATOM 622 OD1 ASN A 37 17.887 -8.045 6.530 1.00 0.00 O ATOM 623 ND2 ASN A 37 18.120 -9.221 4.706 1.00 0.00 N ATOM 0 H ASN A 37 15.362 -5.558 3.411 1.00 0.00 H new ATOM 0 HA ASN A 37 15.167 -8.260 4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.256 -7.098 3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.249 -6.083 4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.609 -9.955 5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.961 -9.317 3.703 1.00 0.00 H new ATOM 630 N ASN A 38 14.639 -5.941 6.575 1.00 0.00 N ATOM 631 CA ASN A 38 14.267 -5.725 8.015 1.00 0.00 C ATOM 632 C ASN A 38 12.789 -5.340 8.135 1.00 0.00 C ATOM 633 O ASN A 38 12.317 -5.032 9.211 1.00 0.00 O ATOM 634 CB ASN A 38 15.129 -4.593 8.586 1.00 0.00 C ATOM 635 CG ASN A 38 15.070 -4.618 10.115 1.00 0.00 C ATOM 636 OD1 ASN A 38 14.157 -5.174 10.691 1.00 0.00 O ATOM 637 ND2 ASN A 38 16.015 -4.035 10.801 1.00 0.00 N ATOM 0 H ASN A 38 14.534 -5.122 5.976 1.00 0.00 H new ATOM 0 HA ASN A 38 14.436 -6.648 8.569 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.160 -4.704 8.251 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.775 -3.631 8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.986 -4.047 11.821 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.782 -3.568 10.318 1.00 0.00 H new ATOM 644 N GLU A 39 12.056 -5.338 7.045 1.00 0.00 N ATOM 645 CA GLU A 39 10.605 -4.953 7.105 1.00 0.00 C ATOM 646 C GLU A 39 9.727 -6.073 6.531 1.00 0.00 C ATOM 647 O GLU A 39 8.581 -6.213 6.908 1.00 0.00 O ATOM 648 CB GLU A 39 10.401 -3.674 6.286 1.00 0.00 C ATOM 649 CG GLU A 39 9.068 -3.024 6.664 1.00 0.00 C ATOM 650 CD GLU A 39 9.193 -2.378 8.045 1.00 0.00 C ATOM 651 OE1 GLU A 39 9.720 -1.280 8.117 1.00 0.00 O ATOM 652 OE2 GLU A 39 8.763 -2.993 9.007 1.00 0.00 O ATOM 0 H GLU A 39 12.398 -5.586 6.117 1.00 0.00 H new ATOM 0 HA GLU A 39 10.320 -4.787 8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.220 -2.979 6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.414 -3.907 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.793 -2.274 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.275 -3.772 6.670 1.00 0.00 H new ATOM 659 N LEU A 40 10.253 -6.873 5.633 1.00 0.00 N ATOM 660 CA LEU A 40 9.447 -7.993 5.035 1.00 0.00 C ATOM 661 C LEU A 40 10.104 -9.335 5.394 1.00 0.00 C ATOM 662 O LEU A 40 9.788 -10.363 4.829 1.00 0.00 O ATOM 663 CB LEU A 40 9.409 -7.827 3.498 1.00 0.00 C ATOM 664 CG LEU A 40 8.153 -7.048 3.053 1.00 0.00 C ATOM 665 CD1 LEU A 40 6.875 -7.875 3.314 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.075 -5.711 3.806 1.00 0.00 C ATOM 0 H LEU A 40 11.209 -6.800 5.286 1.00 0.00 H new ATOM 0 HA LEU A 40 8.430 -7.970 5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.304 -7.302 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.419 -8.808 3.023 1.00 0.00 H new ATOM 0 HG LEU A 40 8.226 -6.856 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.002 -7.307 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.926 -8.809 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.794 -8.093 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.187 -5.166 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.020 -5.900 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.963 -5.118 3.587 1.00 0.00 H new ATOM 678 N SER A 41 11.018 -9.327 6.324 1.00 0.00 N ATOM 679 CA SER A 41 11.700 -10.594 6.716 1.00 0.00 C ATOM 680 C SER A 41 10.741 -11.487 7.510 1.00 0.00 C ATOM 681 O SER A 41 10.886 -12.693 7.538 1.00 0.00 O ATOM 682 CB SER A 41 12.922 -10.267 7.577 1.00 0.00 C ATOM 683 OG SER A 41 12.570 -9.279 8.536 1.00 0.00 O ATOM 0 H SER A 41 11.323 -8.496 6.831 1.00 0.00 H new ATOM 0 HA SER A 41 12.013 -11.123 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.279 -11.166 8.079 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.737 -9.907 6.950 1.00 0.00 H new ATOM 0 HG SER A 41 13.350 -9.068 9.090 1.00 0.00 H new ATOM 689 N HIS A 42 9.770 -10.910 8.163 1.00 0.00 N ATOM 690 CA HIS A 42 8.817 -11.733 8.962 1.00 0.00 C ATOM 691 C HIS A 42 7.851 -12.476 8.034 1.00 0.00 C ATOM 692 O HIS A 42 7.653 -13.669 8.157 1.00 0.00 O ATOM 693 CB HIS A 42 8.019 -10.822 9.897 1.00 0.00 C ATOM 694 CG HIS A 42 8.957 -10.146 10.859 1.00 0.00 C ATOM 695 ND1 HIS A 42 9.372 -8.834 10.688 1.00 0.00 N ATOM 696 CD2 HIS A 42 9.570 -10.586 12.006 1.00 0.00 C ATOM 697 CE1 HIS A 42 10.196 -8.533 11.708 1.00 0.00 C ATOM 698 NE2 HIS A 42 10.351 -9.566 12.540 1.00 0.00 N ATOM 0 H HIS A 42 9.595 -9.905 8.178 1.00 0.00 H new ATOM 0 HA HIS A 42 9.381 -12.461 9.545 1.00 0.00 H new ATOM 0 HB2 HIS A 42 7.475 -10.076 9.318 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.277 -11.404 10.444 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.462 -11.574 12.429 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.674 -7.573 11.838 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.920 -9.600 13.386 1.00 0.00 H new ATOM 706 N PHE A 43 7.240 -11.781 7.114 1.00 0.00 N ATOM 707 CA PHE A 43 6.277 -12.450 6.192 1.00 0.00 C ATOM 708 C PHE A 43 7.018 -13.441 5.291 1.00 0.00 C ATOM 709 O PHE A 43 6.426 -14.332 4.714 1.00 0.00 O ATOM 710 CB PHE A 43 5.579 -11.394 5.332 1.00 0.00 C ATOM 711 CG PHE A 43 4.604 -10.619 6.188 1.00 0.00 C ATOM 712 CD1 PHE A 43 3.398 -11.211 6.586 1.00 0.00 C ATOM 713 CD2 PHE A 43 4.906 -9.310 6.588 1.00 0.00 C ATOM 714 CE1 PHE A 43 2.496 -10.496 7.381 1.00 0.00 C ATOM 715 CE2 PHE A 43 4.002 -8.596 7.385 1.00 0.00 C ATOM 716 CZ PHE A 43 2.798 -9.190 7.781 1.00 0.00 C ATOM 0 H PHE A 43 7.365 -10.780 6.960 1.00 0.00 H new ATOM 0 HA PHE A 43 5.535 -12.991 6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.315 -10.718 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.055 -11.871 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.165 -12.220 6.279 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.835 -8.852 6.282 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.566 -10.953 7.686 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.234 -7.587 7.694 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.101 -8.639 8.396 1.00 0.00 H new ATOM 726 N LEU A 44 8.305 -13.284 5.154 1.00 0.00 N ATOM 727 CA LEU A 44 9.080 -14.206 4.275 1.00 0.00 C ATOM 728 C LEU A 44 8.720 -15.659 4.595 1.00 0.00 C ATOM 729 O LEU A 44 8.801 -16.527 3.750 1.00 0.00 O ATOM 730 CB LEU A 44 10.581 -13.982 4.502 1.00 0.00 C ATOM 731 CG LEU A 44 11.406 -15.003 3.702 1.00 0.00 C ATOM 732 CD1 LEU A 44 11.004 -14.968 2.220 1.00 0.00 C ATOM 733 CD2 LEU A 44 12.891 -14.655 3.837 1.00 0.00 C ATOM 0 H LEU A 44 8.855 -12.557 5.612 1.00 0.00 H new ATOM 0 HA LEU A 44 8.834 -14.002 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.853 -12.970 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.811 -14.072 5.564 1.00 0.00 H new ATOM 0 HG LEU A 44 11.218 -16.003 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.596 -15.696 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.946 -15.212 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.184 -13.971 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.486 -15.373 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.067 -13.653 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.179 -14.691 4.888 1.00 0.00 H new ATOM 745 N GLU A 45 8.331 -15.938 5.806 1.00 0.00 N ATOM 746 CA GLU A 45 7.982 -17.341 6.162 1.00 0.00 C ATOM 747 C GLU A 45 6.624 -17.712 5.561 1.00 0.00 C ATOM 748 O GLU A 45 6.413 -18.827 5.126 1.00 0.00 O ATOM 749 CB GLU A 45 7.918 -17.477 7.684 1.00 0.00 C ATOM 750 CG GLU A 45 7.719 -18.947 8.057 1.00 0.00 C ATOM 751 CD GLU A 45 7.942 -19.128 9.560 1.00 0.00 C ATOM 752 OE1 GLU A 45 7.763 -18.164 10.285 1.00 0.00 O ATOM 753 OE2 GLU A 45 8.289 -20.228 9.959 1.00 0.00 O ATOM 0 H GLU A 45 8.240 -15.259 6.562 1.00 0.00 H new ATOM 0 HA GLU A 45 8.744 -18.011 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.836 -17.098 8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.099 -16.876 8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.713 -19.269 7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.415 -19.572 7.498 1.00 0.00 H new ATOM 760 N GLU A 46 5.694 -16.797 5.556 1.00 0.00 N ATOM 761 CA GLU A 46 4.337 -17.108 5.007 1.00 0.00 C ATOM 762 C GLU A 46 4.266 -16.783 3.511 1.00 0.00 C ATOM 763 O GLU A 46 3.403 -16.048 3.073 1.00 0.00 O ATOM 764 CB GLU A 46 3.293 -16.273 5.751 1.00 0.00 C ATOM 765 CG GLU A 46 3.350 -16.597 7.245 1.00 0.00 C ATOM 766 CD GLU A 46 2.156 -15.955 7.953 1.00 0.00 C ATOM 767 OE1 GLU A 46 1.047 -16.123 7.472 1.00 0.00 O ATOM 768 OE2 GLU A 46 2.370 -15.307 8.964 1.00 0.00 O ATOM 0 H GLU A 46 5.812 -15.847 5.907 1.00 0.00 H new ATOM 0 HA GLU A 46 4.141 -18.172 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.480 -15.211 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.298 -16.484 5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.337 -17.677 7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.282 -16.227 7.673 1.00 0.00 H new ATOM 775 N ILE A 47 5.150 -17.344 2.721 1.00 0.00 N ATOM 776 CA ILE A 47 5.125 -17.098 1.240 1.00 0.00 C ATOM 777 C ILE A 47 5.154 -18.448 0.518 1.00 0.00 C ATOM 778 O ILE A 47 5.489 -19.463 1.096 1.00 0.00 O ATOM 779 CB ILE A 47 6.334 -16.242 0.832 1.00 0.00 C ATOM 780 CG1 ILE A 47 6.100 -14.805 1.325 1.00 0.00 C ATOM 781 CG2 ILE A 47 6.485 -16.252 -0.699 1.00 0.00 C ATOM 782 CD1 ILE A 47 7.303 -13.913 0.994 1.00 0.00 C ATOM 0 H ILE A 47 5.893 -17.966 3.039 1.00 0.00 H new ATOM 0 HA ILE A 47 4.218 -16.559 0.965 1.00 0.00 H new ATOM 0 HB ILE A 47 7.245 -16.644 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.201 -14.398 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.929 -14.808 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.343 -15.644 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.635 -17.275 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.584 -15.844 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.115 -12.901 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.195 -14.310 1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.455 -13.893 -0.085 1.00 0.00 H new ATOM 794 N LYS A 48 4.800 -18.470 -0.740 1.00 0.00 N ATOM 795 CA LYS A 48 4.799 -19.756 -1.502 1.00 0.00 C ATOM 796 C LYS A 48 5.260 -19.507 -2.940 1.00 0.00 C ATOM 797 O LYS A 48 6.078 -20.233 -3.468 1.00 0.00 O ATOM 798 CB LYS A 48 3.382 -20.333 -1.520 1.00 0.00 C ATOM 799 CG LYS A 48 3.371 -21.626 -2.337 1.00 0.00 C ATOM 800 CD LYS A 48 2.053 -22.368 -2.104 1.00 0.00 C ATOM 801 CE LYS A 48 1.880 -23.449 -3.172 1.00 0.00 C ATOM 802 NZ LYS A 48 0.733 -24.328 -2.808 1.00 0.00 N ATOM 0 H LYS A 48 4.511 -17.651 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 48 5.479 -20.459 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.045 -20.530 -0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.689 -19.611 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.490 -21.400 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.212 -22.257 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.048 -22.818 -1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.218 -21.668 -2.141 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.705 -22.989 -4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.792 -24.040 -3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.615 -25.063 -3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.918 -24.776 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.135 -23.759 -2.748 1.00 0.00 H new ATOM 816 N GLU A 49 4.743 -18.495 -3.584 1.00 0.00 N ATOM 817 CA GLU A 49 5.164 -18.229 -4.989 1.00 0.00 C ATOM 818 C GLU A 49 6.598 -17.690 -4.991 1.00 0.00 C ATOM 819 O GLU A 49 6.855 -16.583 -5.421 1.00 0.00 O ATOM 820 CB GLU A 49 4.224 -17.203 -5.626 1.00 0.00 C ATOM 821 CG GLU A 49 2.772 -17.565 -5.303 1.00 0.00 C ATOM 822 CD GLU A 49 2.462 -18.962 -5.842 1.00 0.00 C ATOM 823 OE1 GLU A 49 2.837 -19.924 -5.191 1.00 0.00 O ATOM 824 OE2 GLU A 49 1.855 -19.047 -6.897 1.00 0.00 O ATOM 0 H GLU A 49 4.054 -17.847 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 49 5.121 -19.154 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.452 -16.205 -5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.372 -17.181 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.610 -17.535 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.096 -16.834 -5.747 1.00 0.00 H new ATOM 831 N GLN A 50 7.528 -18.456 -4.490 1.00 0.00 N ATOM 832 CA GLN A 50 8.943 -17.986 -4.434 1.00 0.00 C ATOM 833 C GLN A 50 9.345 -17.332 -5.760 1.00 0.00 C ATOM 834 O GLN A 50 10.206 -16.476 -5.802 1.00 0.00 O ATOM 835 CB GLN A 50 9.858 -19.184 -4.168 1.00 0.00 C ATOM 836 CG GLN A 50 9.667 -19.666 -2.728 1.00 0.00 C ATOM 837 CD GLN A 50 10.261 -18.640 -1.761 1.00 0.00 C ATOM 838 OE1 GLN A 50 9.537 -17.915 -1.107 1.00 0.00 O ATOM 839 NE2 GLN A 50 11.557 -18.546 -1.641 1.00 0.00 N ATOM 0 H GLN A 50 7.369 -19.391 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 50 9.040 -17.251 -3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.630 -19.990 -4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.898 -18.904 -4.333 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.607 -19.807 -2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.150 -20.633 -2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.165 -19.154 -2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.962 -17.865 -0.999 1.00 0.00 H new ATOM 848 N GLU A 51 8.737 -17.732 -6.844 1.00 0.00 N ATOM 849 CA GLU A 51 9.099 -17.133 -8.161 1.00 0.00 C ATOM 850 C GLU A 51 8.570 -15.699 -8.248 1.00 0.00 C ATOM 851 O GLU A 51 9.107 -14.883 -8.971 1.00 0.00 O ATOM 852 CB GLU A 51 8.536 -17.979 -9.305 1.00 0.00 C ATOM 853 CG GLU A 51 7.044 -18.226 -9.073 1.00 0.00 C ATOM 854 CD GLU A 51 6.470 -19.026 -10.243 1.00 0.00 C ATOM 855 OE1 GLU A 51 7.128 -19.957 -10.678 1.00 0.00 O ATOM 856 OE2 GLU A 51 5.382 -18.695 -10.684 1.00 0.00 O ATOM 0 H GLU A 51 8.008 -18.445 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 51 10.185 -17.113 -8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.687 -17.469 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.067 -18.929 -9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.896 -18.769 -8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.518 -17.276 -8.976 1.00 0.00 H new ATOM 863 N VAL A 52 7.564 -15.360 -7.495 1.00 0.00 N ATOM 864 CA VAL A 52 7.074 -13.954 -7.527 1.00 0.00 C ATOM 865 C VAL A 52 8.098 -13.093 -6.789 1.00 0.00 C ATOM 866 O VAL A 52 8.517 -12.061 -7.276 1.00 0.00 O ATOM 867 CB VAL A 52 5.714 -13.858 -6.824 1.00 0.00 C ATOM 868 CG1 VAL A 52 5.346 -12.388 -6.597 1.00 0.00 C ATOM 869 CG2 VAL A 52 4.641 -14.518 -7.693 1.00 0.00 C ATOM 0 H VAL A 52 7.063 -15.987 -6.865 1.00 0.00 H new ATOM 0 HA VAL A 52 6.954 -13.614 -8.556 1.00 0.00 H new ATOM 0 HB VAL A 52 5.774 -14.368 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.379 -12.328 -6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.106 -11.915 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.291 -11.874 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.675 -14.449 -7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.588 -14.009 -8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.894 -15.566 -7.850 1.00 0.00 H new ATOM 879 N VAL A 53 8.517 -13.502 -5.624 1.00 0.00 N ATOM 880 CA VAL A 53 9.521 -12.694 -4.883 1.00 0.00 C ATOM 881 C VAL A 53 10.819 -12.656 -5.688 1.00 0.00 C ATOM 882 O VAL A 53 11.525 -11.668 -5.711 1.00 0.00 O ATOM 883 CB VAL A 53 9.791 -13.338 -3.524 1.00 0.00 C ATOM 884 CG1 VAL A 53 10.742 -12.451 -2.718 1.00 0.00 C ATOM 885 CG2 VAL A 53 8.475 -13.494 -2.764 1.00 0.00 C ATOM 0 H VAL A 53 8.209 -14.355 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 53 9.143 -11.682 -4.737 1.00 0.00 H new ATOM 0 HB VAL A 53 10.245 -14.318 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.934 -12.911 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.681 -12.339 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.289 -11.471 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.667 -13.953 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.021 -12.514 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.797 -14.126 -3.337 1.00 0.00 H new ATOM 895 N ASP A 54 11.136 -13.736 -6.347 1.00 0.00 N ATOM 896 CA ASP A 54 12.385 -13.782 -7.153 1.00 0.00 C ATOM 897 C ASP A 54 12.373 -12.648 -8.178 1.00 0.00 C ATOM 898 O ASP A 54 13.360 -11.968 -8.376 1.00 0.00 O ATOM 899 CB ASP A 54 12.473 -15.126 -7.880 1.00 0.00 C ATOM 900 CG ASP A 54 13.789 -15.204 -8.655 1.00 0.00 C ATOM 901 OD1 ASP A 54 14.790 -15.551 -8.051 1.00 0.00 O ATOM 902 OD2 ASP A 54 13.773 -14.915 -9.840 1.00 0.00 O ATOM 0 H ASP A 54 10.581 -14.591 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 54 13.246 -13.667 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.413 -15.944 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.630 -15.238 -8.562 1.00 0.00 H new ATOM 907 N LYS A 55 11.266 -12.444 -8.842 1.00 0.00 N ATOM 908 CA LYS A 55 11.207 -11.359 -9.860 1.00 0.00 C ATOM 909 C LYS A 55 11.223 -9.997 -9.165 1.00 0.00 C ATOM 910 O LYS A 55 11.681 -9.022 -9.724 1.00 0.00 O ATOM 911 CB LYS A 55 9.945 -11.502 -10.710 1.00 0.00 C ATOM 912 CG LYS A 55 10.137 -12.632 -11.725 1.00 0.00 C ATOM 913 CD LYS A 55 8.811 -12.916 -12.433 1.00 0.00 C ATOM 914 CE LYS A 55 9.010 -14.032 -13.460 1.00 0.00 C ATOM 915 NZ LYS A 55 7.706 -14.352 -14.107 1.00 0.00 N ATOM 0 H LYS A 55 10.406 -12.979 -8.723 1.00 0.00 H new ATOM 0 HA LYS A 55 12.077 -11.436 -10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.087 -11.714 -10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.735 -10.566 -11.228 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.898 -12.354 -12.454 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.492 -13.531 -11.221 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.053 -13.207 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.449 -12.014 -12.926 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.735 -13.723 -14.213 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.414 -14.920 -12.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.842 -15.111 -14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.027 -14.664 -13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.338 -13.504 -14.584 1.00 0.00 H new ATOM 929 N VAL A 56 10.766 -9.912 -7.944 1.00 0.00 N ATOM 930 CA VAL A 56 10.809 -8.603 -7.235 1.00 0.00 C ATOM 931 C VAL A 56 12.275 -8.225 -7.018 1.00 0.00 C ATOM 932 O VAL A 56 12.728 -7.180 -7.442 1.00 0.00 O ATOM 933 CB VAL A 56 10.103 -8.733 -5.880 1.00 0.00 C ATOM 934 CG1 VAL A 56 10.346 -7.473 -5.045 1.00 0.00 C ATOM 935 CG2 VAL A 56 8.599 -8.907 -6.107 1.00 0.00 C ATOM 0 H VAL A 56 10.368 -10.686 -7.412 1.00 0.00 H new ATOM 0 HA VAL A 56 10.306 -7.835 -7.824 1.00 0.00 H new ATOM 0 HB VAL A 56 10.499 -9.599 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.842 -7.571 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.416 -7.345 -4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.953 -6.605 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.094 -9.000 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.209 -8.040 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.422 -9.806 -6.698 1.00 0.00 H new ATOM 945 N MET A 57 13.020 -9.068 -6.355 1.00 0.00 N ATOM 946 CA MET A 57 14.455 -8.758 -6.107 1.00 0.00 C ATOM 947 C MET A 57 15.145 -8.414 -7.427 1.00 0.00 C ATOM 948 O MET A 57 16.098 -7.659 -7.456 1.00 0.00 O ATOM 949 CB MET A 57 15.139 -9.969 -5.468 1.00 0.00 C ATOM 950 CG MET A 57 14.539 -10.225 -4.085 1.00 0.00 C ATOM 951 SD MET A 57 15.045 -8.905 -2.955 1.00 0.00 S ATOM 952 CE MET A 57 14.101 -9.461 -1.515 1.00 0.00 C ATOM 0 H MET A 57 12.696 -9.957 -5.975 1.00 0.00 H new ATOM 0 HA MET A 57 14.527 -7.905 -5.432 1.00 0.00 H new ATOM 0 HB2 MET A 57 15.010 -10.848 -6.100 1.00 0.00 H new ATOM 0 HB3 MET A 57 16.211 -9.791 -5.383 1.00 0.00 H new ATOM 0 HG2 MET A 57 13.452 -10.266 -4.150 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.872 -11.191 -3.705 1.00 0.00 H new ATOM 0 HE1 MET A 57 14.269 -8.777 -0.683 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.039 -9.479 -1.761 1.00 0.00 H new ATOM 0 HE3 MET A 57 14.425 -10.463 -1.232 1.00 0.00 H new ATOM 962 N GLU A 58 14.658 -8.926 -8.529 1.00 0.00 N ATOM 963 CA GLU A 58 15.272 -8.585 -9.846 1.00 0.00 C ATOM 964 C GLU A 58 14.657 -7.279 -10.348 1.00 0.00 C ATOM 965 O GLU A 58 15.316 -6.483 -10.985 1.00 0.00 O ATOM 966 CB GLU A 58 15.045 -9.712 -10.856 1.00 0.00 C ATOM 967 CG GLU A 58 15.646 -9.318 -12.207 1.00 0.00 C ATOM 968 CD GLU A 58 15.745 -10.555 -13.102 1.00 0.00 C ATOM 969 OE1 GLU A 58 16.568 -11.407 -12.813 1.00 0.00 O ATOM 970 OE2 GLU A 58 14.996 -10.628 -14.062 1.00 0.00 O ATOM 0 H GLU A 58 13.863 -9.564 -8.573 1.00 0.00 H new ATOM 0 HA GLU A 58 16.348 -8.461 -9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.504 -10.634 -10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.978 -9.908 -10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.027 -8.559 -12.685 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.634 -8.880 -12.064 1.00 0.00 H new ATOM 977 N THR A 59 13.412 -7.031 -10.048 1.00 0.00 N ATOM 978 CA THR A 59 12.800 -5.751 -10.499 1.00 0.00 C ATOM 979 C THR A 59 13.452 -4.614 -9.711 1.00 0.00 C ATOM 980 O THR A 59 13.850 -3.617 -10.280 1.00 0.00 O ATOM 981 CB THR A 59 11.285 -5.771 -10.268 1.00 0.00 C ATOM 982 OG1 THR A 59 10.770 -7.043 -10.634 1.00 0.00 O ATOM 983 CG2 THR A 59 10.616 -4.687 -11.119 1.00 0.00 C ATOM 0 H THR A 59 12.799 -7.650 -9.517 1.00 0.00 H new ATOM 0 HA THR A 59 12.966 -5.608 -11.567 1.00 0.00 H new ATOM 0 HB THR A 59 11.078 -5.580 -9.215 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.940 -7.685 -9.913 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.539 -4.706 -10.951 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.010 -3.710 -10.839 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.822 -4.873 -12.173 1.00 0.00 H new ATOM 991 N LEU A 60 13.611 -4.751 -8.423 1.00 0.00 N ATOM 992 CA LEU A 60 14.288 -3.674 -7.649 1.00 0.00 C ATOM 993 C LEU A 60 15.693 -3.481 -8.227 1.00 0.00 C ATOM 994 O LEU A 60 16.048 -2.407 -8.670 1.00 0.00 O ATOM 995 CB LEU A 60 14.394 -4.100 -6.170 1.00 0.00 C ATOM 996 CG LEU A 60 13.123 -3.718 -5.383 1.00 0.00 C ATOM 997 CD1 LEU A 60 13.100 -2.211 -5.081 1.00 0.00 C ATOM 998 CD2 LEU A 60 11.869 -4.104 -6.181 1.00 0.00 C ATOM 0 H LEU A 60 13.304 -5.556 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 60 13.722 -2.745 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 60 14.551 -5.177 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.263 -3.625 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 60 13.132 -4.263 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.195 -1.965 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.974 -1.946 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.115 -1.652 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.979 -3.829 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.869 -3.578 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.868 -5.179 -6.360 1.00 0.00 H new ATOM 1010 N ASP A 61 16.493 -4.511 -8.229 1.00 0.00 N ATOM 1011 CA ASP A 61 17.868 -4.375 -8.783 1.00 0.00 C ATOM 1012 C ASP A 61 17.791 -3.770 -10.186 1.00 0.00 C ATOM 1013 O ASP A 61 18.740 -3.184 -10.668 1.00 0.00 O ATOM 1014 CB ASP A 61 18.528 -5.753 -8.857 1.00 0.00 C ATOM 1015 CG ASP A 61 19.985 -5.597 -9.296 1.00 0.00 C ATOM 1016 OD1 ASP A 61 20.204 -5.296 -10.458 1.00 0.00 O ATOM 1017 OD2 ASP A 61 20.858 -5.781 -8.463 1.00 0.00 O ATOM 0 H ASP A 61 16.255 -5.437 -7.873 1.00 0.00 H new ATOM 0 HA ASP A 61 18.459 -3.725 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.480 -6.244 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.991 -6.388 -9.561 1.00 0.00 H new ATOM 1022 N GLU A 62 16.665 -3.910 -10.848 1.00 0.00 N ATOM 1023 CA GLU A 62 16.518 -3.347 -12.231 1.00 0.00 C ATOM 1024 C GLU A 62 15.722 -2.051 -12.168 1.00 0.00 C ATOM 1025 O GLU A 62 14.891 -1.760 -13.005 1.00 0.00 O ATOM 1026 CB GLU A 62 15.777 -4.323 -13.094 1.00 0.00 C ATOM 1027 CG GLU A 62 16.655 -5.542 -13.381 1.00 0.00 C ATOM 1028 CD GLU A 62 17.794 -5.141 -14.319 1.00 0.00 C ATOM 1029 OE1 GLU A 62 17.631 -4.165 -15.033 1.00 0.00 O ATOM 1030 OE2 GLU A 62 18.810 -5.816 -14.308 1.00 0.00 O ATOM 0 H GLU A 62 15.840 -4.391 -10.490 1.00 0.00 H new ATOM 0 HA GLU A 62 17.507 -3.159 -12.648 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.858 -4.635 -12.597 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.487 -3.846 -14.030 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.059 -5.939 -12.450 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.059 -6.334 -13.834 1.00 0.00 H new ATOM 1037 N ASP A 63 15.988 -1.287 -11.183 1.00 0.00 N ATOM 1038 CA ASP A 63 15.286 0.017 -11.004 1.00 0.00 C ATOM 1039 C ASP A 63 15.215 0.758 -12.336 1.00 0.00 C ATOM 1040 O ASP A 63 14.218 1.363 -12.676 1.00 0.00 O ATOM 1041 CB ASP A 63 16.119 0.870 -10.040 1.00 0.00 C ATOM 1042 CG ASP A 63 15.490 2.259 -9.903 1.00 0.00 C ATOM 1043 OD1 ASP A 63 14.272 2.339 -9.903 1.00 0.00 O ATOM 1044 OD2 ASP A 63 16.236 3.218 -9.801 1.00 0.00 O ATOM 0 H ASP A 63 16.679 -1.500 -10.463 1.00 0.00 H new ATOM 0 HA ASP A 63 14.279 -0.158 -10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.172 0.387 -9.065 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.141 0.958 -10.408 1.00 0.00 H new ATOM 1049 N GLY A 64 16.267 0.687 -13.099 1.00 0.00 N ATOM 1050 CA GLY A 64 16.294 1.355 -14.434 1.00 0.00 C ATOM 1051 C GLY A 64 15.939 2.846 -14.327 1.00 0.00 C ATOM 1052 O GLY A 64 16.042 3.568 -15.299 1.00 0.00 O ATOM 0 H GLY A 64 17.122 0.188 -12.854 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.285 1.247 -14.876 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.591 0.860 -15.104 1.00 0.00 H new ATOM 1056 N ASP A 65 15.514 3.323 -13.172 1.00 0.00 N ATOM 1057 CA ASP A 65 15.142 4.782 -13.031 1.00 0.00 C ATOM 1058 C ASP A 65 16.187 5.579 -12.207 1.00 0.00 C ATOM 1059 O ASP A 65 16.109 6.790 -12.149 1.00 0.00 O ATOM 1060 CB ASP A 65 13.784 4.874 -12.333 1.00 0.00 C ATOM 1061 CG ASP A 65 13.230 6.292 -12.480 1.00 0.00 C ATOM 1062 OD1 ASP A 65 12.586 6.553 -13.483 1.00 0.00 O ATOM 1063 OD2 ASP A 65 13.458 7.091 -11.588 1.00 0.00 O ATOM 0 H ASP A 65 15.408 2.769 -12.322 1.00 0.00 H new ATOM 0 HA ASP A 65 15.106 5.218 -14.029 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.090 4.154 -12.768 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.887 4.620 -11.278 1.00 0.00 H new ATOM 1068 N GLY A 66 17.164 4.957 -11.580 1.00 0.00 N ATOM 1069 CA GLY A 66 18.168 5.744 -10.803 1.00 0.00 C ATOM 1070 C GLY A 66 17.602 6.129 -9.433 1.00 0.00 C ATOM 1071 O GLY A 66 18.334 6.288 -8.477 1.00 0.00 O ATOM 0 H GLY A 66 17.304 3.947 -11.576 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.079 5.158 -10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.442 6.643 -11.356 1.00 0.00 H new ATOM 1075 N GLU A 67 16.306 6.275 -9.319 1.00 0.00 N ATOM 1076 CA GLU A 67 15.713 6.646 -7.994 1.00 0.00 C ATOM 1077 C GLU A 67 14.290 6.092 -7.877 1.00 0.00 C ATOM 1078 O GLU A 67 13.490 6.230 -8.781 1.00 0.00 O ATOM 1079 CB GLU A 67 15.682 8.169 -7.858 1.00 0.00 C ATOM 1080 CG GLU A 67 17.113 8.711 -7.812 1.00 0.00 C ATOM 1081 CD GLU A 67 17.093 10.166 -7.342 1.00 0.00 C ATOM 1082 OE1 GLU A 67 16.712 10.396 -6.206 1.00 0.00 O ATOM 1083 OE2 GLU A 67 17.461 11.026 -8.126 1.00 0.00 O ATOM 0 H GLU A 67 15.636 6.155 -10.078 1.00 0.00 H new ATOM 0 HA GLU A 67 16.325 6.219 -7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.143 8.608 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.146 8.452 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.720 8.108 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.571 8.643 -8.799 1.00 0.00 H new ATOM 1090 N CYS A 68 13.962 5.477 -6.764 1.00 0.00 N ATOM 1091 CA CYS A 68 12.583 4.922 -6.574 1.00 0.00 C ATOM 1092 C CYS A 68 11.803 5.836 -5.623 1.00 0.00 C ATOM 1093 O CYS A 68 12.253 6.145 -4.538 1.00 0.00 O ATOM 1094 CB CYS A 68 12.678 3.520 -5.968 1.00 0.00 C ATOM 1095 SG CYS A 68 13.512 2.415 -7.135 1.00 0.00 S ATOM 0 H CYS A 68 14.594 5.335 -5.976 1.00 0.00 H new ATOM 0 HA CYS A 68 12.072 4.867 -7.535 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.228 3.555 -5.027 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.681 3.142 -5.741 1.00 0.00 H new ATOM 0 HG CYS A 68 13.550 2.972 -8.309 1.00 0.00 H new ATOM 1101 N ASP A 69 10.642 6.278 -6.025 1.00 0.00 N ATOM 1102 CA ASP A 69 9.839 7.181 -5.147 1.00 0.00 C ATOM 1103 C ASP A 69 9.059 6.359 -4.117 1.00 0.00 C ATOM 1104 O ASP A 69 9.204 5.156 -4.027 1.00 0.00 O ATOM 1105 CB ASP A 69 8.856 7.979 -6.007 1.00 0.00 C ATOM 1106 CG ASP A 69 9.619 9.032 -6.812 1.00 0.00 C ATOM 1107 OD1 ASP A 69 10.181 8.675 -7.834 1.00 0.00 O ATOM 1108 OD2 ASP A 69 9.629 10.178 -6.393 1.00 0.00 O ATOM 0 H ASP A 69 10.214 6.054 -6.923 1.00 0.00 H new ATOM 0 HA ASP A 69 10.512 7.861 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.319 7.310 -6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.110 8.460 -5.374 1.00 0.00 H new ATOM 1113 N PHE A 70 8.220 7.003 -3.348 1.00 0.00 N ATOM 1114 CA PHE A 70 7.415 6.263 -2.333 1.00 0.00 C ATOM 1115 C PHE A 70 6.320 5.478 -3.058 1.00 0.00 C ATOM 1116 O PHE A 70 5.940 4.402 -2.641 1.00 0.00 O ATOM 1117 CB PHE A 70 6.793 7.263 -1.350 1.00 0.00 C ATOM 1118 CG PHE A 70 6.045 6.534 -0.255 1.00 0.00 C ATOM 1119 CD1 PHE A 70 4.782 5.985 -0.511 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.612 6.417 1.020 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.088 5.320 0.508 1.00 0.00 C ATOM 1122 CE2 PHE A 70 5.918 5.752 2.037 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.657 5.203 1.781 1.00 0.00 C ATOM 0 H PHE A 70 8.058 8.010 -3.380 1.00 0.00 H new ATOM 0 HA PHE A 70 8.047 5.573 -1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.574 7.886 -0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.114 7.929 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.343 6.074 -1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.586 6.840 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.114 4.898 0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.356 5.663 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.123 4.689 2.566 1.00 0.00 H new ATOM 1133 N GLN A 71 5.820 5.992 -4.145 1.00 0.00 N ATOM 1134 CA GLN A 71 4.766 5.252 -4.892 1.00 0.00 C ATOM 1135 C GLN A 71 5.326 3.895 -5.327 1.00 0.00 C ATOM 1136 O GLN A 71 4.630 2.899 -5.329 1.00 0.00 O ATOM 1137 CB GLN A 71 4.358 6.055 -6.129 1.00 0.00 C ATOM 1138 CG GLN A 71 3.760 7.394 -5.693 1.00 0.00 C ATOM 1139 CD GLN A 71 3.636 8.318 -6.906 1.00 0.00 C ATOM 1140 OE1 GLN A 71 4.608 8.906 -7.338 1.00 0.00 O ATOM 1141 NE2 GLN A 71 2.473 8.472 -7.478 1.00 0.00 N ATOM 0 H GLN A 71 6.093 6.888 -4.548 1.00 0.00 H new ATOM 0 HA GLN A 71 3.894 5.106 -4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.224 6.223 -6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.631 5.494 -6.717 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.781 7.237 -5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.391 7.856 -4.934 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.657 7.979 -7.116 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.380 9.086 -8.287 1.00 0.00 H new ATOM 1150 N GLU A 72 6.579 3.844 -5.687 1.00 0.00 N ATOM 1151 CA GLU A 72 7.181 2.548 -6.112 1.00 0.00 C ATOM 1152 C GLU A 72 7.376 1.641 -4.891 1.00 0.00 C ATOM 1153 O GLU A 72 7.350 0.433 -4.993 1.00 0.00 O ATOM 1154 CB GLU A 72 8.529 2.798 -6.792 1.00 0.00 C ATOM 1155 CG GLU A 72 8.304 3.498 -8.134 1.00 0.00 C ATOM 1156 CD GLU A 72 9.655 3.837 -8.766 1.00 0.00 C ATOM 1157 OE1 GLU A 72 10.382 2.914 -9.094 1.00 0.00 O ATOM 1158 OE2 GLU A 72 9.940 5.015 -8.912 1.00 0.00 O ATOM 0 H GLU A 72 7.212 4.643 -5.705 1.00 0.00 H new ATOM 0 HA GLU A 72 6.511 2.059 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.163 3.412 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.051 1.854 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.730 2.854 -8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.720 4.407 -7.989 1.00 0.00 H new ATOM 1165 N PHE A 73 7.524 2.220 -3.731 1.00 0.00 N ATOM 1166 CA PHE A 73 7.679 1.404 -2.488 1.00 0.00 C ATOM 1167 C PHE A 73 6.318 0.834 -2.088 1.00 0.00 C ATOM 1168 O PHE A 73 6.223 -0.303 -1.674 1.00 0.00 O ATOM 1169 CB PHE A 73 8.256 2.268 -1.363 1.00 0.00 C ATOM 1170 CG PHE A 73 8.267 1.494 -0.063 1.00 0.00 C ATOM 1171 CD1 PHE A 73 9.220 0.489 0.146 1.00 0.00 C ATOM 1172 CD2 PHE A 73 7.332 1.789 0.938 1.00 0.00 C ATOM 1173 CE1 PHE A 73 9.236 -0.222 1.353 1.00 0.00 C ATOM 1174 CE2 PHE A 73 7.350 1.080 2.145 1.00 0.00 C ATOM 1175 CZ PHE A 73 8.302 0.075 2.353 1.00 0.00 C ATOM 0 H PHE A 73 7.545 3.230 -3.588 1.00 0.00 H new ATOM 0 HA PHE A 73 8.369 0.580 -2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.269 2.580 -1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.662 3.175 -1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.943 0.262 -0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.597 2.564 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.969 -0.999 1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.629 1.309 2.916 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.316 -0.471 3.285 1.00 0.00 H new ATOM 1185 N MET A 74 5.262 1.578 -2.214 1.00 0.00 N ATOM 1186 CA MET A 74 3.941 1.004 -1.837 1.00 0.00 C ATOM 1187 C MET A 74 3.585 -0.104 -2.836 1.00 0.00 C ATOM 1188 O MET A 74 2.903 -1.048 -2.488 1.00 0.00 O ATOM 1189 CB MET A 74 2.865 2.098 -1.839 1.00 0.00 C ATOM 1190 CG MET A 74 1.711 1.696 -0.913 1.00 0.00 C ATOM 1191 SD MET A 74 2.218 1.934 0.815 1.00 0.00 S ATOM 1192 CE MET A 74 2.093 0.214 1.377 1.00 0.00 C ATOM 0 H MET A 74 5.250 2.540 -2.554 1.00 0.00 H new ATOM 0 HA MET A 74 3.992 0.587 -0.831 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.295 3.044 -1.509 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.493 2.253 -2.852 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.828 2.297 -1.131 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.438 0.655 -1.084 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.700 0.079 2.272 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.053 -0.020 1.605 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.451 -0.452 0.592 1.00 0.00 H new ATOM 1202 N ALA A 75 4.042 -0.038 -4.055 1.00 0.00 N ATOM 1203 CA ALA A 75 3.726 -1.127 -5.026 1.00 0.00 C ATOM 1204 C ALA A 75 4.599 -2.359 -4.745 1.00 0.00 C ATOM 1205 O ALA A 75 4.091 -3.447 -4.564 1.00 0.00 O ATOM 1206 CB ALA A 75 3.998 -0.630 -6.447 1.00 0.00 C ATOM 0 H ALA A 75 4.619 0.719 -4.422 1.00 0.00 H new ATOM 0 HA ALA A 75 2.677 -1.403 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.769 -1.422 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.372 0.238 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.048 -0.351 -6.540 1.00 0.00 H new ATOM 1212 N PHE A 76 5.898 -2.217 -4.711 1.00 0.00 N ATOM 1213 CA PHE A 76 6.753 -3.415 -4.446 1.00 0.00 C ATOM 1214 C PHE A 76 6.343 -4.047 -3.114 1.00 0.00 C ATOM 1215 O PHE A 76 6.404 -5.247 -2.939 1.00 0.00 O ATOM 1216 CB PHE A 76 8.238 -3.018 -4.387 1.00 0.00 C ATOM 1217 CG PHE A 76 8.769 -2.743 -5.783 1.00 0.00 C ATOM 1218 CD1 PHE A 76 8.741 -3.748 -6.763 1.00 0.00 C ATOM 1219 CD2 PHE A 76 9.287 -1.478 -6.100 1.00 0.00 C ATOM 1220 CE1 PHE A 76 9.226 -3.485 -8.049 1.00 0.00 C ATOM 1221 CE2 PHE A 76 9.774 -1.220 -7.386 1.00 0.00 C ATOM 1222 CZ PHE A 76 9.741 -2.222 -8.361 1.00 0.00 C ATOM 0 H PHE A 76 6.399 -1.340 -4.852 1.00 0.00 H new ATOM 0 HA PHE A 76 6.614 -4.131 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.360 -2.132 -3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.816 -3.816 -3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.345 -4.724 -6.524 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.310 -0.702 -5.350 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.203 -4.259 -8.802 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.176 -0.247 -7.626 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.113 -2.021 -9.355 1.00 0.00 H new ATOM 1232 N VAL A 77 5.920 -3.249 -2.177 1.00 0.00 N ATOM 1233 CA VAL A 77 5.500 -3.810 -0.862 1.00 0.00 C ATOM 1234 C VAL A 77 4.209 -4.615 -1.049 1.00 0.00 C ATOM 1235 O VAL A 77 3.992 -5.617 -0.396 1.00 0.00 O ATOM 1236 CB VAL A 77 5.260 -2.661 0.127 1.00 0.00 C ATOM 1237 CG1 VAL A 77 4.559 -3.189 1.385 1.00 0.00 C ATOM 1238 CG2 VAL A 77 6.604 -2.035 0.520 1.00 0.00 C ATOM 0 H VAL A 77 5.846 -2.235 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 77 6.280 -4.463 -0.470 1.00 0.00 H new ATOM 0 HB VAL A 77 4.628 -1.910 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.393 -2.367 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.601 -3.631 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.184 -3.945 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.434 -1.219 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.235 -2.791 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.100 -1.650 -0.371 1.00 0.00 H new ATOM 1248 N SER A 78 3.350 -4.185 -1.932 1.00 0.00 N ATOM 1249 CA SER A 78 2.074 -4.925 -2.156 1.00 0.00 C ATOM 1250 C SER A 78 2.362 -6.260 -2.850 1.00 0.00 C ATOM 1251 O SER A 78 1.937 -7.305 -2.398 1.00 0.00 O ATOM 1252 CB SER A 78 1.147 -4.084 -3.036 1.00 0.00 C ATOM 1253 OG SER A 78 1.450 -4.326 -4.403 1.00 0.00 O ATOM 0 H SER A 78 3.476 -3.353 -2.509 1.00 0.00 H new ATOM 0 HA SER A 78 1.595 -5.116 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.106 -4.336 -2.832 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.270 -3.026 -2.806 1.00 0.00 H new ATOM 0 HG SER A 78 2.315 -3.922 -4.623 1.00 0.00 H new ATOM 1259 N MET A 79 3.063 -6.239 -3.950 1.00 0.00 N ATOM 1260 CA MET A 79 3.351 -7.511 -4.671 1.00 0.00 C ATOM 1261 C MET A 79 3.938 -8.533 -3.702 1.00 0.00 C ATOM 1262 O MET A 79 3.487 -9.657 -3.622 1.00 0.00 O ATOM 1263 CB MET A 79 4.355 -7.241 -5.793 1.00 0.00 C ATOM 1264 CG MET A 79 3.729 -6.301 -6.824 1.00 0.00 C ATOM 1265 SD MET A 79 4.784 -6.236 -8.298 1.00 0.00 S ATOM 1266 CE MET A 79 4.850 -4.435 -8.484 1.00 0.00 C ATOM 0 H MET A 79 3.448 -5.398 -4.380 1.00 0.00 H new ATOM 0 HA MET A 79 2.426 -7.904 -5.092 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.262 -6.797 -5.384 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.645 -8.178 -6.269 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.732 -6.650 -7.092 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.615 -5.303 -6.401 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.462 -4.181 -9.350 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.841 -4.047 -8.626 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.287 -3.993 -7.589 1.00 0.00 H new ATOM 1276 N VAL A 80 4.945 -8.156 -2.972 1.00 0.00 N ATOM 1277 CA VAL A 80 5.566 -9.116 -2.015 1.00 0.00 C ATOM 1278 C VAL A 80 4.517 -9.581 -1.002 1.00 0.00 C ATOM 1279 O VAL A 80 4.434 -10.747 -0.673 1.00 0.00 O ATOM 1280 CB VAL A 80 6.719 -8.430 -1.278 1.00 0.00 C ATOM 1281 CG1 VAL A 80 7.272 -9.369 -0.204 1.00 0.00 C ATOM 1282 CG2 VAL A 80 7.830 -8.089 -2.273 1.00 0.00 C ATOM 0 H VAL A 80 5.367 -7.228 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 80 5.947 -9.978 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 80 6.355 -7.516 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.093 -8.879 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.483 -9.614 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.635 -10.284 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.651 -7.600 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.192 -9.004 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.439 -7.419 -3.039 1.00 0.00 H new ATOM 1292 N THR A 81 3.708 -8.683 -0.512 1.00 0.00 N ATOM 1293 CA THR A 81 2.661 -9.088 0.466 1.00 0.00 C ATOM 1294 C THR A 81 1.604 -9.925 -0.258 1.00 0.00 C ATOM 1295 O THR A 81 1.215 -10.984 0.195 1.00 0.00 O ATOM 1296 CB THR A 81 2.006 -7.839 1.061 1.00 0.00 C ATOM 1297 OG1 THR A 81 3.015 -6.944 1.507 1.00 0.00 O ATOM 1298 CG2 THR A 81 1.117 -8.237 2.240 1.00 0.00 C ATOM 0 H THR A 81 3.727 -7.690 -0.746 1.00 0.00 H new ATOM 0 HA THR A 81 3.110 -9.673 1.268 1.00 0.00 H new ATOM 0 HB THR A 81 1.397 -7.351 0.300 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.114 -6.214 0.861 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.652 -7.346 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.342 -8.923 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.722 -8.726 3.003 1.00 0.00 H new ATOM 1306 N THR A 82 1.143 -9.455 -1.384 1.00 0.00 N ATOM 1307 CA THR A 82 0.116 -10.210 -2.156 1.00 0.00 C ATOM 1308 C THR A 82 0.757 -11.437 -2.812 1.00 0.00 C ATOM 1309 O THR A 82 0.075 -12.352 -3.230 1.00 0.00 O ATOM 1310 CB THR A 82 -0.484 -9.307 -3.236 1.00 0.00 C ATOM 1311 OG1 THR A 82 0.547 -8.859 -4.102 1.00 0.00 O ATOM 1312 CG2 THR A 82 -1.163 -8.104 -2.580 1.00 0.00 C ATOM 0 H THR A 82 1.436 -8.574 -1.806 1.00 0.00 H new ATOM 0 HA THR A 82 -0.672 -10.536 -1.477 1.00 0.00 H new ATOM 0 HB THR A 82 -1.222 -9.867 -3.810 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.036 -8.124 -3.676 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.590 -7.462 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.955 -8.450 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.428 -7.541 -2.004 1.00 0.00 H new ATOM 1320 N ALA A 83 2.060 -11.467 -2.911 1.00 0.00 N ATOM 1321 CA ALA A 83 2.727 -12.641 -3.546 1.00 0.00 C ATOM 1322 C ALA A 83 2.207 -13.917 -2.889 1.00 0.00 C ATOM 1323 O ALA A 83 1.942 -14.904 -3.547 1.00 0.00 O ATOM 1324 CB ALA A 83 4.241 -12.549 -3.349 1.00 0.00 C ATOM 0 H ALA A 83 2.688 -10.734 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 83 2.508 -12.653 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.721 -13.409 -3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.613 -11.633 -3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.469 -12.539 -2.283 1.00 0.00 H new ATOM 1481 N SER B 1 8.252 -5.406 14.011 1.00 0.00 N ATOM 1482 CA SER B 1 8.390 -3.931 14.172 1.00 0.00 C ATOM 1483 C SER B 1 7.000 -3.296 14.205 1.00 0.00 C ATOM 1484 O SER B 1 6.012 -3.928 13.888 1.00 0.00 O ATOM 1485 CB SER B 1 9.184 -3.359 12.997 1.00 0.00 C ATOM 1486 OG SER B 1 8.301 -3.117 11.909 1.00 0.00 O ATOM 0 H1 SER B 1 9.044 -5.883 14.488 1.00 0.00 H new ATOM 0 H2 SER B 1 7.354 -5.719 14.433 1.00 0.00 H new ATOM 0 H3 SER B 1 8.261 -5.647 12.999 1.00 0.00 H new ATOM 0 HA SER B 1 8.915 -3.713 15.102 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.678 -2.433 13.293 1.00 0.00 H new ATOM 0 HB3 SER B 1 9.966 -4.056 12.698 1.00 0.00 H new ATOM 0 HG SER B 1 8.534 -3.706 11.161 1.00 0.00 H new ATOM 1492 N GLU B 2 6.913 -2.052 14.588 1.00 0.00 N ATOM 1493 CA GLU B 2 5.582 -1.385 14.641 1.00 0.00 C ATOM 1494 C GLU B 2 4.896 -1.507 13.280 1.00 0.00 C ATOM 1495 O GLU B 2 3.690 -1.615 13.188 1.00 0.00 O ATOM 1496 CB GLU B 2 5.767 0.094 14.985 1.00 0.00 C ATOM 1497 CG GLU B 2 6.157 0.234 16.457 1.00 0.00 C ATOM 1498 CD GLU B 2 7.463 -0.519 16.714 1.00 0.00 C ATOM 1499 OE1 GLU B 2 7.396 -1.708 16.980 1.00 0.00 O ATOM 1500 OE2 GLU B 2 8.509 0.105 16.641 1.00 0.00 O ATOM 0 H GLU B 2 7.703 -1.470 14.866 1.00 0.00 H new ATOM 0 HA GLU B 2 4.967 -1.863 15.403 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.538 0.531 14.351 1.00 0.00 H new ATOM 0 HB3 GLU B 2 4.845 0.641 14.789 1.00 0.00 H new ATOM 0 HG2 GLU B 2 6.275 1.287 16.714 1.00 0.00 H new ATOM 0 HG3 GLU B 2 5.365 -0.162 17.093 1.00 0.00 H new ATOM 1507 N LEU B 3 5.655 -1.476 12.219 1.00 0.00 N ATOM 1508 CA LEU B 3 5.046 -1.575 10.863 1.00 0.00 C ATOM 1509 C LEU B 3 4.353 -2.935 10.704 1.00 0.00 C ATOM 1510 O LEU B 3 3.220 -3.013 10.274 1.00 0.00 O ATOM 1511 CB LEU B 3 6.149 -1.410 9.797 1.00 0.00 C ATOM 1512 CG LEU B 3 5.581 -0.730 8.544 1.00 0.00 C ATOM 1513 CD1 LEU B 3 6.679 -0.612 7.485 1.00 0.00 C ATOM 1514 CD2 LEU B 3 4.419 -1.561 7.989 1.00 0.00 C ATOM 0 H LEU B 3 6.671 -1.386 12.233 1.00 0.00 H new ATOM 0 HA LEU B 3 4.303 -0.787 10.735 1.00 0.00 H new ATOM 0 HB2 LEU B 3 6.969 -0.816 10.201 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.560 -2.385 9.535 1.00 0.00 H new ATOM 0 HG LEU B 3 5.220 0.265 8.804 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.276 -0.129 6.595 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.502 -0.017 7.879 1.00 0.00 H new ATOM 0 HD13 LEU B 3 7.042 -1.606 7.225 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.017 -1.076 7.099 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.776 -2.558 7.729 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.636 -1.641 8.743 1.00 0.00 H new ATOM 1526 N GLU B 4 5.018 -4.007 11.047 1.00 0.00 N ATOM 1527 CA GLU B 4 4.377 -5.346 10.907 1.00 0.00 C ATOM 1528 C GLU B 4 3.011 -5.320 11.597 1.00 0.00 C ATOM 1529 O GLU B 4 2.014 -5.750 11.052 1.00 0.00 O ATOM 1530 CB GLU B 4 5.268 -6.415 11.555 1.00 0.00 C ATOM 1531 CG GLU B 4 6.408 -6.785 10.602 1.00 0.00 C ATOM 1532 CD GLU B 4 7.222 -5.534 10.266 1.00 0.00 C ATOM 1533 OE1 GLU B 4 6.858 -4.850 9.324 1.00 0.00 O ATOM 1534 OE2 GLU B 4 8.196 -5.282 10.956 1.00 0.00 O ATOM 0 H GLU B 4 5.969 -4.013 11.415 1.00 0.00 H new ATOM 0 HA GLU B 4 4.248 -5.585 9.851 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.674 -6.042 12.495 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.677 -7.300 11.791 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.050 -7.537 11.061 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.005 -7.225 9.690 1.00 0.00 H new ATOM 1541 N LYS B 5 2.968 -4.801 12.793 1.00 0.00 N ATOM 1542 CA LYS B 5 1.682 -4.717 13.538 1.00 0.00 C ATOM 1543 C LYS B 5 0.609 -4.112 12.633 1.00 0.00 C ATOM 1544 O LYS B 5 -0.519 -4.563 12.586 1.00 0.00 O ATOM 1545 CB LYS B 5 1.876 -3.805 14.751 1.00 0.00 C ATOM 1546 CG LYS B 5 3.058 -4.310 15.583 1.00 0.00 C ATOM 1547 CD LYS B 5 3.048 -3.630 16.953 1.00 0.00 C ATOM 1548 CE LYS B 5 4.380 -3.890 17.660 1.00 0.00 C ATOM 1549 NZ LYS B 5 4.400 -3.168 18.964 1.00 0.00 N ATOM 0 H LYS B 5 3.777 -4.428 13.290 1.00 0.00 H new ATOM 0 HA LYS B 5 1.375 -5.713 13.857 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.058 -2.781 14.425 1.00 0.00 H new ATOM 0 HB3 LYS B 5 0.970 -3.790 15.357 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.996 -5.392 15.702 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.995 -4.099 15.068 1.00 0.00 H new ATOM 0 HD2 LYS B 5 2.888 -2.558 16.838 1.00 0.00 H new ATOM 0 HD3 LYS B 5 2.224 -4.012 17.555 1.00 0.00 H new ATOM 0 HE2 LYS B 5 4.515 -4.959 17.822 1.00 0.00 H new ATOM 0 HE3 LYS B 5 5.207 -3.555 17.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 5.305 -3.345 19.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 4.290 -2.147 18.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 3.619 -3.508 19.561 1.00 0.00 H new ATOM 1563 N ALA B 6 0.967 -3.079 11.920 1.00 0.00 N ATOM 1564 CA ALA B 6 0.004 -2.402 11.008 1.00 0.00 C ATOM 1565 C ALA B 6 -0.165 -3.209 9.714 1.00 0.00 C ATOM 1566 O ALA B 6 -1.223 -3.211 9.118 1.00 0.00 O ATOM 1567 CB ALA B 6 0.533 -0.994 10.690 1.00 0.00 C ATOM 0 H ALA B 6 1.901 -2.670 11.932 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.970 -2.330 11.492 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -0.163 -0.486 10.022 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.630 -0.425 11.614 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.507 -1.072 10.208 1.00 0.00 H new ATOM 1573 N MET B 7 0.847 -3.902 9.276 1.00 0.00 N ATOM 1574 CA MET B 7 0.690 -4.702 8.028 1.00 0.00 C ATOM 1575 C MET B 7 -0.414 -5.741 8.261 1.00 0.00 C ATOM 1576 O MET B 7 -1.321 -5.901 7.462 1.00 0.00 O ATOM 1577 CB MET B 7 2.018 -5.400 7.699 1.00 0.00 C ATOM 1578 CG MET B 7 2.074 -5.749 6.207 1.00 0.00 C ATOM 1579 SD MET B 7 2.553 -4.279 5.265 1.00 0.00 S ATOM 1580 CE MET B 7 1.640 -4.666 3.750 1.00 0.00 C ATOM 0 H MET B 7 1.764 -3.951 9.719 1.00 0.00 H new ATOM 0 HA MET B 7 0.420 -4.059 7.191 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.854 -4.751 7.960 1.00 0.00 H new ATOM 0 HB3 MET B 7 2.119 -6.306 8.296 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.790 -6.553 6.037 1.00 0.00 H new ATOM 0 HG3 MET B 7 1.103 -6.110 5.870 1.00 0.00 H new ATOM 0 HE1 MET B 7 1.854 -3.911 2.993 1.00 0.00 H new ATOM 0 HE2 MET B 7 1.945 -5.646 3.382 1.00 0.00 H new ATOM 0 HE3 MET B 7 0.571 -4.674 3.962 1.00 0.00 H new ATOM 1590 N VAL B 8 -0.350 -6.434 9.364 1.00 0.00 N ATOM 1591 CA VAL B 8 -1.393 -7.448 9.672 1.00 0.00 C ATOM 1592 C VAL B 8 -2.735 -6.741 9.866 1.00 0.00 C ATOM 1593 O VAL B 8 -3.775 -7.247 9.493 1.00 0.00 O ATOM 1594 CB VAL B 8 -1.014 -8.191 10.954 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -1.963 -9.373 11.160 1.00 0.00 C ATOM 1596 CG2 VAL B 8 0.421 -8.711 10.833 1.00 0.00 C ATOM 0 H VAL B 8 0.383 -6.340 10.067 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.471 -8.161 8.851 1.00 0.00 H new ATOM 0 HB VAL B 8 -1.089 -7.511 11.803 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.692 -9.902 12.074 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.987 -9.008 11.242 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -1.887 -10.053 10.311 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.694 -9.241 11.745 1.00 0.00 H new ATOM 0 HG22 VAL B 8 0.491 -9.391 9.984 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.101 -7.872 10.684 1.00 0.00 H new ATOM 1606 N ALA B 9 -2.720 -5.564 10.435 1.00 0.00 N ATOM 1607 CA ALA B 9 -3.994 -4.820 10.638 1.00 0.00 C ATOM 1608 C ALA B 9 -4.677 -4.628 9.284 1.00 0.00 C ATOM 1609 O ALA B 9 -5.859 -4.854 9.135 1.00 0.00 O ATOM 1610 CB ALA B 9 -3.692 -3.451 11.253 1.00 0.00 C ATOM 0 H ALA B 9 -1.881 -5.088 10.767 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.647 -5.381 11.307 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.624 -2.906 11.402 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.193 -3.585 12.213 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.044 -2.886 10.583 1.00 0.00 H new ATOM 1616 N LEU B 10 -3.944 -4.201 8.296 1.00 0.00 N ATOM 1617 CA LEU B 10 -4.564 -3.987 6.956 1.00 0.00 C ATOM 1618 C LEU B 10 -5.394 -5.223 6.598 1.00 0.00 C ATOM 1619 O LEU B 10 -6.536 -5.126 6.195 1.00 0.00 O ATOM 1620 CB LEU B 10 -3.441 -3.796 5.905 1.00 0.00 C ATOM 1621 CG LEU B 10 -3.126 -2.304 5.705 1.00 0.00 C ATOM 1622 CD1 LEU B 10 -2.463 -1.739 6.962 1.00 0.00 C ATOM 1623 CD2 LEU B 10 -2.174 -2.144 4.517 1.00 0.00 C ATOM 0 H LEU B 10 -2.948 -3.991 8.355 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.203 -3.104 6.971 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.542 -4.322 6.227 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.746 -4.238 4.956 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.053 -1.763 5.513 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -2.243 -0.682 6.813 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.137 -1.853 7.811 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.537 -2.279 7.159 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -1.948 -1.088 4.372 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.251 -2.689 4.715 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.644 -2.542 3.618 1.00 0.00 H new ATOM 1635 N ILE B 11 -4.823 -6.386 6.762 1.00 0.00 N ATOM 1636 CA ILE B 11 -5.580 -7.629 6.451 1.00 0.00 C ATOM 1637 C ILE B 11 -6.766 -7.716 7.411 1.00 0.00 C ATOM 1638 O ILE B 11 -7.879 -8.018 7.029 1.00 0.00 O ATOM 1639 CB ILE B 11 -4.672 -8.844 6.649 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -3.491 -8.762 5.679 1.00 0.00 C ATOM 1641 CG2 ILE B 11 -5.464 -10.124 6.378 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -2.442 -9.809 6.061 1.00 0.00 C ATOM 0 H ILE B 11 -3.870 -6.527 7.096 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.929 -7.612 5.418 1.00 0.00 H new ATOM 0 HB ILE B 11 -4.302 -8.856 7.674 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.833 -8.930 4.658 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -3.052 -7.765 5.708 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.816 -10.989 6.519 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -6.306 -10.184 7.068 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.835 -10.112 5.353 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.601 -9.750 5.370 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.092 -9.620 7.076 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.885 -10.804 6.010 1.00 0.00 H new ATOM 1654 N ASP B 12 -6.517 -7.444 8.664 1.00 0.00 N ATOM 1655 CA ASP B 12 -7.594 -7.492 9.688 1.00 0.00 C ATOM 1656 C ASP B 12 -8.809 -6.697 9.212 1.00 0.00 C ATOM 1657 O ASP B 12 -9.930 -7.164 9.261 1.00 0.00 O ATOM 1658 CB ASP B 12 -7.069 -6.854 10.983 1.00 0.00 C ATOM 1659 CG ASP B 12 -7.980 -7.236 12.153 1.00 0.00 C ATOM 1660 OD1 ASP B 12 -8.380 -8.386 12.216 1.00 0.00 O ATOM 1661 OD2 ASP B 12 -8.261 -6.370 12.966 1.00 0.00 O ATOM 0 H ASP B 12 -5.598 -7.187 9.024 1.00 0.00 H new ATOM 0 HA ASP B 12 -7.884 -8.529 9.856 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -6.050 -7.190 11.178 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.033 -5.770 10.877 1.00 0.00 H new ATOM 1666 N VAL B 13 -8.595 -5.480 8.778 1.00 0.00 N ATOM 1667 CA VAL B 13 -9.742 -4.637 8.330 1.00 0.00 C ATOM 1668 C VAL B 13 -10.214 -5.042 6.930 1.00 0.00 C ATOM 1669 O VAL B 13 -11.394 -5.000 6.647 1.00 0.00 O ATOM 1670 CB VAL B 13 -9.340 -3.161 8.350 1.00 0.00 C ATOM 1671 CG1 VAL B 13 -10.480 -2.309 7.789 1.00 0.00 C ATOM 1672 CG2 VAL B 13 -9.050 -2.736 9.792 1.00 0.00 C ATOM 0 H VAL B 13 -7.679 -5.036 8.715 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.572 -4.792 9.019 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.449 -3.019 7.738 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.191 -1.258 7.805 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.690 -2.612 6.763 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.373 -2.449 8.399 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.763 -1.685 9.811 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.943 -2.879 10.400 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.237 -3.341 10.193 1.00 0.00 H new ATOM 1682 N PHE B 14 -9.341 -5.433 6.046 1.00 0.00 N ATOM 1683 CA PHE B 14 -9.837 -5.819 4.695 1.00 0.00 C ATOM 1684 C PHE B 14 -10.738 -7.045 4.839 1.00 0.00 C ATOM 1685 O PHE B 14 -11.700 -7.218 4.116 1.00 0.00 O ATOM 1686 CB PHE B 14 -8.670 -6.150 3.763 1.00 0.00 C ATOM 1687 CG PHE B 14 -9.214 -6.469 2.388 1.00 0.00 C ATOM 1688 CD1 PHE B 14 -9.631 -7.771 2.082 1.00 0.00 C ATOM 1689 CD2 PHE B 14 -9.305 -5.460 1.421 1.00 0.00 C ATOM 1690 CE1 PHE B 14 -10.140 -8.063 0.808 1.00 0.00 C ATOM 1691 CE2 PHE B 14 -9.813 -5.753 0.148 1.00 0.00 C ATOM 1692 CZ PHE B 14 -10.230 -7.054 -0.158 1.00 0.00 C ATOM 0 H PHE B 14 -8.334 -5.502 6.191 1.00 0.00 H new ATOM 0 HA PHE B 14 -10.393 -4.985 4.265 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -7.980 -5.308 3.709 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -8.107 -6.999 4.151 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -9.561 -8.550 2.827 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -8.984 -4.456 1.656 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -10.463 -9.066 0.572 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -9.883 -4.975 -0.597 1.00 0.00 H new ATOM 0 HZ PHE B 14 -10.621 -7.279 -1.139 1.00 0.00 H new ATOM 1702 N HIS B 15 -10.420 -7.902 5.772 1.00 0.00 N ATOM 1703 CA HIS B 15 -11.235 -9.130 5.982 1.00 0.00 C ATOM 1704 C HIS B 15 -12.523 -8.784 6.734 1.00 0.00 C ATOM 1705 O HIS B 15 -13.553 -9.398 6.540 1.00 0.00 O ATOM 1706 CB HIS B 15 -10.424 -10.137 6.799 1.00 0.00 C ATOM 1707 CG HIS B 15 -11.234 -11.386 7.008 1.00 0.00 C ATOM 1708 ND1 HIS B 15 -10.955 -12.568 6.341 1.00 0.00 N ATOM 1709 CD2 HIS B 15 -12.317 -11.655 7.808 1.00 0.00 C ATOM 1710 CE1 HIS B 15 -11.851 -13.485 6.747 1.00 0.00 C ATOM 1711 NE2 HIS B 15 -12.705 -12.981 7.642 1.00 0.00 N ATOM 0 H HIS B 15 -9.624 -7.802 6.402 1.00 0.00 H new ATOM 0 HA HIS B 15 -11.494 -9.560 5.014 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -9.495 -10.376 6.281 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.150 -9.704 7.761 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -12.795 -10.945 8.466 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -11.877 -14.505 6.393 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -13.475 -13.464 8.104 1.00 0.00 H new ATOM 1719 N GLN B 16 -12.463 -7.814 7.608 1.00 0.00 N ATOM 1720 CA GLN B 16 -13.672 -7.437 8.396 1.00 0.00 C ATOM 1721 C GLN B 16 -14.837 -7.133 7.452 1.00 0.00 C ATOM 1722 O GLN B 16 -15.951 -7.562 7.675 1.00 0.00 O ATOM 1723 CB GLN B 16 -13.362 -6.204 9.252 1.00 0.00 C ATOM 1724 CG GLN B 16 -14.430 -6.035 10.339 1.00 0.00 C ATOM 1725 CD GLN B 16 -15.755 -5.616 9.699 1.00 0.00 C ATOM 1726 OE1 GLN B 16 -16.735 -6.330 9.779 1.00 0.00 O ATOM 1727 NE2 GLN B 16 -15.828 -4.479 9.062 1.00 0.00 N ATOM 0 H GLN B 16 -11.627 -7.266 7.810 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.950 -8.267 9.045 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.379 -6.308 9.711 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.328 -5.314 8.623 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -14.558 -6.970 10.885 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -14.111 -5.285 11.062 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -15.006 -3.879 8.994 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -16.707 -4.191 8.632 1.00 0.00 H new ATOM 1736 N TYR B 17 -14.599 -6.397 6.401 1.00 0.00 N ATOM 1737 CA TYR B 17 -15.706 -6.075 5.459 1.00 0.00 C ATOM 1738 C TYR B 17 -16.084 -7.335 4.677 1.00 0.00 C ATOM 1739 O TYR B 17 -17.246 -7.638 4.493 1.00 0.00 O ATOM 1740 CB TYR B 17 -15.250 -4.982 4.484 1.00 0.00 C ATOM 1741 CG TYR B 17 -15.292 -3.633 5.171 1.00 0.00 C ATOM 1742 CD1 TYR B 17 -14.387 -3.345 6.200 1.00 0.00 C ATOM 1743 CD2 TYR B 17 -16.233 -2.671 4.779 1.00 0.00 C ATOM 1744 CE1 TYR B 17 -14.423 -2.098 6.836 1.00 0.00 C ATOM 1745 CE2 TYR B 17 -16.268 -1.425 5.415 1.00 0.00 C ATOM 1746 CZ TYR B 17 -15.363 -1.138 6.444 1.00 0.00 C ATOM 1747 OH TYR B 17 -15.399 0.091 7.071 1.00 0.00 O ATOM 0 H TYR B 17 -13.689 -6.006 6.155 1.00 0.00 H new ATOM 0 HA TYR B 17 -16.571 -5.719 6.019 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -14.239 -5.192 4.135 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -15.895 -4.973 3.605 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -13.661 -4.085 6.503 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -16.932 -2.892 3.985 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.725 -1.877 7.630 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.993 -0.684 5.112 1.00 0.00 H new ATOM 0 HH TYR B 17 -16.110 0.639 6.677 1.00 0.00 H new ATOM 1757 N SER B 18 -15.108 -8.068 4.209 1.00 0.00 N ATOM 1758 CA SER B 18 -15.400 -9.308 3.428 1.00 0.00 C ATOM 1759 C SER B 18 -15.287 -10.542 4.329 1.00 0.00 C ATOM 1760 O SER B 18 -14.492 -11.426 4.075 1.00 0.00 O ATOM 1761 CB SER B 18 -14.392 -9.429 2.284 1.00 0.00 C ATOM 1762 OG SER B 18 -14.402 -8.229 1.522 1.00 0.00 O ATOM 0 H SER B 18 -14.117 -7.861 4.334 1.00 0.00 H new ATOM 0 HA SER B 18 -16.414 -9.248 3.032 1.00 0.00 H new ATOM 0 HB2 SER B 18 -13.394 -9.613 2.681 1.00 0.00 H new ATOM 0 HB3 SER B 18 -14.644 -10.279 1.650 1.00 0.00 H new ATOM 0 HG SER B 18 -13.756 -8.302 0.789 1.00 0.00 H new ATOM 1768 N GLY B 19 -16.092 -10.627 5.365 1.00 0.00 N ATOM 1769 CA GLY B 19 -16.060 -11.821 6.275 1.00 0.00 C ATOM 1770 C GLY B 19 -17.427 -12.503 6.196 1.00 0.00 C ATOM 1771 O GLY B 19 -17.613 -13.611 6.659 1.00 0.00 O ATOM 0 H GLY B 19 -16.775 -9.914 5.621 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -15.271 -12.510 5.974 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -15.843 -11.516 7.299 1.00 0.00 H new ATOM 1775 N ARG B 20 -18.373 -11.855 5.576 1.00 0.00 N ATOM 1776 CA ARG B 20 -19.728 -12.452 5.412 1.00 0.00 C ATOM 1777 C ARG B 20 -19.633 -13.686 4.514 1.00 0.00 C ATOM 1778 O ARG B 20 -20.364 -14.636 4.704 1.00 0.00 O ATOM 1779 CB ARG B 20 -20.669 -11.426 4.775 1.00 0.00 C ATOM 1780 CG ARG B 20 -20.469 -10.064 5.441 1.00 0.00 C ATOM 1781 CD ARG B 20 -21.505 -9.076 4.902 1.00 0.00 C ATOM 1782 NE ARG B 20 -21.347 -8.948 3.424 1.00 0.00 N ATOM 1783 CZ ARG B 20 -20.439 -8.151 2.929 1.00 0.00 C ATOM 1784 NH1 ARG B 20 -20.715 -6.891 2.730 1.00 0.00 N ATOM 1785 NH2 ARG B 20 -19.255 -8.614 2.633 1.00 0.00 N ATOM 0 H ARG B 20 -18.264 -10.925 5.171 1.00 0.00 H new ATOM 0 HA ARG B 20 -20.118 -12.740 6.388 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -20.472 -11.352 3.706 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -21.704 -11.748 4.887 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -20.568 -10.158 6.522 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.462 -9.695 5.244 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -22.511 -9.420 5.143 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -21.378 -8.104 5.378 1.00 0.00 H new ATOM 0 HE ARG B 20 -21.949 -9.484 2.799 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -21.640 -6.529 2.961 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -20.006 -6.268 2.343 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -19.039 -9.599 2.788 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -18.546 -7.991 2.246 1.00 0.00 H new ATOM 1799 N GLU B 21 -18.741 -13.712 3.555 1.00 0.00 N ATOM 1800 CA GLU B 21 -18.634 -14.934 2.694 1.00 0.00 C ATOM 1801 C GLU B 21 -17.183 -15.158 2.273 1.00 0.00 C ATOM 1802 O GLU B 21 -16.682 -16.264 2.322 1.00 0.00 O ATOM 1803 CB GLU B 21 -19.499 -14.762 1.440 1.00 0.00 C ATOM 1804 CG GLU B 21 -20.880 -14.227 1.827 1.00 0.00 C ATOM 1805 CD GLU B 21 -21.779 -14.195 0.590 1.00 0.00 C ATOM 1806 OE1 GLU B 21 -21.633 -13.277 -0.201 1.00 0.00 O ATOM 1807 OE2 GLU B 21 -22.598 -15.089 0.453 1.00 0.00 O ATOM 0 H GLU B 21 -18.093 -12.957 3.332 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.980 -15.795 3.266 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.015 -14.075 0.746 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.601 -15.717 0.925 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -21.324 -14.859 2.596 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -20.789 -13.226 2.250 1.00 0.00 H new ATOM 1814 N GLY B 22 -16.498 -14.129 1.853 1.00 0.00 N ATOM 1815 CA GLY B 22 -15.080 -14.309 1.427 1.00 0.00 C ATOM 1816 C GLY B 22 -14.988 -15.488 0.454 1.00 0.00 C ATOM 1817 O GLY B 22 -13.912 -15.947 0.127 1.00 0.00 O ATOM 0 H GLY B 22 -16.856 -13.176 1.786 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -14.714 -13.400 0.950 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -14.448 -14.490 2.296 1.00 0.00 H new ATOM 1821 N ASP B 23 -16.103 -15.985 -0.013 1.00 0.00 N ATOM 1822 CA ASP B 23 -16.061 -17.133 -0.963 1.00 0.00 C ATOM 1823 C ASP B 23 -15.058 -16.809 -2.070 1.00 0.00 C ATOM 1824 O ASP B 23 -14.099 -17.524 -2.282 1.00 0.00 O ATOM 1825 CB ASP B 23 -17.449 -17.348 -1.571 1.00 0.00 C ATOM 1826 CG ASP B 23 -18.393 -17.904 -0.504 1.00 0.00 C ATOM 1827 OD1 ASP B 23 -18.196 -17.585 0.657 1.00 0.00 O ATOM 1828 OD2 ASP B 23 -19.297 -18.638 -0.866 1.00 0.00 O ATOM 0 H ASP B 23 -17.036 -15.647 0.221 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.760 -18.041 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -17.837 -16.407 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -17.386 -18.039 -2.412 1.00 0.00 H new ATOM 1833 N LYS B 24 -15.258 -15.719 -2.761 1.00 0.00 N ATOM 1834 CA LYS B 24 -14.301 -15.326 -3.834 1.00 0.00 C ATOM 1835 C LYS B 24 -13.222 -14.436 -3.213 1.00 0.00 C ATOM 1836 O LYS B 24 -13.233 -14.162 -2.029 1.00 0.00 O ATOM 1837 CB LYS B 24 -15.044 -14.554 -4.927 1.00 0.00 C ATOM 1838 CG LYS B 24 -16.086 -15.466 -5.576 1.00 0.00 C ATOM 1839 CD LYS B 24 -16.627 -14.806 -6.845 1.00 0.00 C ATOM 1840 CE LYS B 24 -17.720 -15.687 -7.453 1.00 0.00 C ATOM 1841 NZ LYS B 24 -18.127 -15.133 -8.775 1.00 0.00 N ATOM 0 H LYS B 24 -16.044 -15.083 -2.628 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.846 -16.212 -4.277 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -15.529 -13.675 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -14.339 -14.197 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -15.640 -16.431 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -16.901 -15.658 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -17.028 -13.820 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -15.821 -14.660 -7.564 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -17.356 -16.707 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -18.580 -15.731 -6.785 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -18.870 -15.732 -9.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -18.491 -14.167 -8.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -17.305 -15.113 -9.411 1.00 0.00 H new ATOM 1855 N HIS B 25 -12.308 -13.961 -4.016 1.00 0.00 N ATOM 1856 CA HIS B 25 -11.227 -13.055 -3.514 1.00 0.00 C ATOM 1857 C HIS B 25 -11.181 -11.842 -4.441 1.00 0.00 C ATOM 1858 O HIS B 25 -10.131 -11.419 -4.882 1.00 0.00 O ATOM 1859 CB HIS B 25 -9.884 -13.787 -3.552 1.00 0.00 C ATOM 1860 CG HIS B 25 -10.011 -15.105 -2.838 1.00 0.00 C ATOM 1861 ND1 HIS B 25 -9.793 -15.231 -1.475 1.00 0.00 N ATOM 1862 CD2 HIS B 25 -10.334 -16.363 -3.284 1.00 0.00 C ATOM 1863 CE1 HIS B 25 -9.986 -16.523 -1.151 1.00 0.00 C ATOM 1864 NE2 HIS B 25 -10.318 -17.256 -2.217 1.00 0.00 N ATOM 0 H HIS B 25 -12.262 -14.164 -5.015 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.424 -12.748 -2.487 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.575 -13.949 -4.585 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -9.113 -13.178 -3.080 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -10.565 -16.620 -4.307 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.885 -16.919 -0.151 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -10.517 -18.256 -2.243 1.00 0.00 H new ATOM 1872 N LYS B 26 -12.330 -11.287 -4.739 1.00 0.00 N ATOM 1873 CA LYS B 26 -12.402 -10.100 -5.641 1.00 0.00 C ATOM 1874 C LYS B 26 -13.305 -9.032 -5.017 1.00 0.00 C ATOM 1875 O LYS B 26 -14.237 -9.346 -4.303 1.00 0.00 O ATOM 1876 CB LYS B 26 -12.997 -10.530 -6.984 1.00 0.00 C ATOM 1877 CG LYS B 26 -12.009 -11.438 -7.718 1.00 0.00 C ATOM 1878 CD LYS B 26 -12.501 -11.675 -9.148 1.00 0.00 C ATOM 1879 CE LYS B 26 -11.497 -12.552 -9.897 1.00 0.00 C ATOM 1880 NZ LYS B 26 -12.117 -13.050 -11.158 1.00 0.00 N ATOM 0 H LYS B 26 -13.232 -11.612 -4.390 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.401 -9.692 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -13.939 -11.055 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.220 -9.653 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.020 -10.980 -7.733 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.912 -12.388 -7.193 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -13.479 -12.157 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.623 -10.723 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -10.596 -11.981 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.194 -13.392 -9.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -11.435 -13.647 -11.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.964 -13.609 -10.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.385 -12.242 -11.756 1.00 0.00 H new ATOM 1894 N LEU B 27 -13.045 -7.774 -5.284 1.00 0.00 N ATOM 1895 CA LEU B 27 -13.893 -6.674 -4.715 1.00 0.00 C ATOM 1896 C LEU B 27 -14.431 -5.831 -5.873 1.00 0.00 C ATOM 1897 O LEU B 27 -13.733 -5.570 -6.832 1.00 0.00 O ATOM 1898 CB LEU B 27 -13.036 -5.804 -3.791 1.00 0.00 C ATOM 1899 CG LEU B 27 -13.928 -4.877 -2.947 1.00 0.00 C ATOM 1900 CD1 LEU B 27 -14.747 -5.692 -1.923 1.00 0.00 C ATOM 1901 CD2 LEU B 27 -13.037 -3.869 -2.210 1.00 0.00 C ATOM 0 H LEU B 27 -12.276 -7.458 -5.876 1.00 0.00 H new ATOM 0 HA LEU B 27 -14.723 -7.089 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -12.437 -6.438 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -12.340 -5.209 -4.383 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.623 -4.355 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -15.371 -5.017 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -15.380 -6.406 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -14.069 -6.228 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.658 -3.206 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.342 -4.403 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -12.476 -3.280 -2.936 1.00 0.00 H new ATOM 1913 N LYS B 28 -15.670 -5.408 -5.806 1.00 0.00 N ATOM 1914 CA LYS B 28 -16.238 -4.594 -6.925 1.00 0.00 C ATOM 1915 C LYS B 28 -15.952 -3.110 -6.678 1.00 0.00 C ATOM 1916 O LYS B 28 -15.790 -2.681 -5.553 1.00 0.00 O ATOM 1917 CB LYS B 28 -17.750 -4.818 -7.006 1.00 0.00 C ATOM 1918 CG LYS B 28 -18.271 -4.310 -8.352 1.00 0.00 C ATOM 1919 CD LYS B 28 -19.787 -4.506 -8.421 1.00 0.00 C ATOM 1920 CE LYS B 28 -20.288 -4.130 -9.816 1.00 0.00 C ATOM 1921 NZ LYS B 28 -21.772 -4.253 -9.860 1.00 0.00 N ATOM 0 H LYS B 28 -16.308 -5.589 -5.031 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.776 -4.899 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.978 -5.878 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -18.250 -4.296 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -18.024 -3.255 -8.475 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -17.787 -4.847 -9.167 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -20.041 -5.543 -8.199 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -20.279 -3.890 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -19.989 -3.110 -10.059 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -19.836 -4.781 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -22.114 -3.997 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -22.046 -5.233 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -22.194 -3.614 -9.156 1.00 0.00 H new ATOM 1935 N LYS B 29 -15.888 -2.322 -7.715 1.00 0.00 N ATOM 1936 CA LYS B 29 -15.612 -0.866 -7.539 1.00 0.00 C ATOM 1937 C LYS B 29 -16.734 -0.208 -6.728 1.00 0.00 C ATOM 1938 O LYS B 29 -16.493 0.615 -5.868 1.00 0.00 O ATOM 1939 CB LYS B 29 -15.548 -0.209 -8.922 1.00 0.00 C ATOM 1940 CG LYS B 29 -16.945 -0.225 -9.563 1.00 0.00 C ATOM 1941 CD LYS B 29 -16.832 0.011 -11.073 1.00 0.00 C ATOM 1942 CE LYS B 29 -18.193 0.437 -11.631 1.00 0.00 C ATOM 1943 NZ LYS B 29 -18.073 0.685 -13.096 1.00 0.00 N ATOM 0 H LYS B 29 -16.015 -2.624 -8.681 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.668 -0.739 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.189 0.816 -8.833 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.839 -0.741 -9.556 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.431 -1.182 -9.372 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.570 0.546 -9.112 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.088 0.781 -11.276 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.493 -0.899 -11.569 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.935 -0.339 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -18.539 1.339 -11.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.022 0.791 -13.509 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.526 1.555 -13.257 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.588 -0.118 -13.545 1.00 0.00 H new ATOM 1957 N SER B 30 -17.959 -0.552 -7.014 1.00 0.00 N ATOM 1958 CA SER B 30 -19.101 0.064 -6.283 1.00 0.00 C ATOM 1959 C SER B 30 -18.941 -0.144 -4.775 1.00 0.00 C ATOM 1960 O SER B 30 -19.215 0.742 -3.984 1.00 0.00 O ATOM 1961 CB SER B 30 -20.407 -0.581 -6.746 1.00 0.00 C ATOM 1962 OG SER B 30 -21.504 0.117 -6.172 1.00 0.00 O ATOM 0 H SER B 30 -18.219 -1.236 -7.725 1.00 0.00 H new ATOM 0 HA SER B 30 -19.120 1.133 -6.494 1.00 0.00 H new ATOM 0 HB2 SER B 30 -20.473 -0.555 -7.834 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.433 -1.630 -6.450 1.00 0.00 H new ATOM 0 HG SER B 30 -21.727 -0.280 -5.304 1.00 0.00 H new ATOM 1968 N GLU B 31 -18.486 -1.300 -4.362 1.00 0.00 N ATOM 1969 CA GLU B 31 -18.312 -1.530 -2.896 1.00 0.00 C ATOM 1970 C GLU B 31 -16.966 -0.944 -2.471 1.00 0.00 C ATOM 1971 O GLU B 31 -16.817 -0.420 -1.385 1.00 0.00 O ATOM 1972 CB GLU B 31 -18.373 -3.027 -2.576 1.00 0.00 C ATOM 1973 CG GLU B 31 -19.831 -3.492 -2.560 1.00 0.00 C ATOM 1974 CD GLU B 31 -20.478 -3.194 -3.914 1.00 0.00 C ATOM 1975 OE1 GLU B 31 -20.883 -2.061 -4.118 1.00 0.00 O ATOM 1976 OE2 GLU B 31 -20.558 -4.103 -4.723 1.00 0.00 O ATOM 0 H GLU B 31 -18.231 -2.082 -4.965 1.00 0.00 H new ATOM 0 HA GLU B 31 -19.117 -1.041 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -17.810 -3.591 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -17.909 -3.221 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -19.881 -4.560 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -20.377 -2.984 -1.765 1.00 0.00 H new ATOM 1983 N LEU B 32 -15.990 -1.003 -3.339 1.00 0.00 N ATOM 1984 CA LEU B 32 -14.662 -0.421 -3.003 1.00 0.00 C ATOM 1985 C LEU B 32 -14.861 1.070 -2.735 1.00 0.00 C ATOM 1986 O LEU B 32 -14.389 1.597 -1.750 1.00 0.00 O ATOM 1987 CB LEU B 32 -13.697 -0.637 -4.178 1.00 0.00 C ATOM 1988 CG LEU B 32 -12.236 -0.493 -3.722 1.00 0.00 C ATOM 1989 CD1 LEU B 32 -11.317 -0.996 -4.841 1.00 0.00 C ATOM 1990 CD2 LEU B 32 -11.907 0.980 -3.409 1.00 0.00 C ATOM 0 H LEU B 32 -16.057 -1.429 -4.264 1.00 0.00 H new ATOM 0 HA LEU B 32 -14.236 -0.901 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.853 -1.628 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -13.909 0.086 -4.966 1.00 0.00 H new ATOM 0 HG LEU B 32 -12.085 -1.080 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.277 -0.899 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.537 -2.043 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -11.483 -0.404 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.868 1.061 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.058 1.585 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.561 1.338 -2.614 1.00 0.00 H new ATOM 2002 N LYS B 33 -15.555 1.768 -3.592 1.00 0.00 N ATOM 2003 CA LYS B 33 -15.754 3.220 -3.349 1.00 0.00 C ATOM 2004 C LYS B 33 -16.300 3.411 -1.933 1.00 0.00 C ATOM 2005 O LYS B 33 -15.740 4.128 -1.128 1.00 0.00 O ATOM 2006 CB LYS B 33 -16.750 3.775 -4.380 1.00 0.00 C ATOM 2007 CG LYS B 33 -16.560 5.289 -4.540 1.00 0.00 C ATOM 2008 CD LYS B 33 -16.891 6.004 -3.221 1.00 0.00 C ATOM 2009 CE LYS B 33 -17.222 7.475 -3.493 1.00 0.00 C ATOM 2010 NZ LYS B 33 -17.118 8.249 -2.224 1.00 0.00 N ATOM 0 H LYS B 33 -15.987 1.399 -4.439 1.00 0.00 H new ATOM 0 HA LYS B 33 -14.809 3.753 -3.448 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.605 3.280 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.770 3.561 -4.062 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -15.533 5.506 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -17.204 5.662 -5.337 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -17.736 5.516 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -16.045 5.933 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -16.537 7.882 -4.237 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -18.228 7.563 -3.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -17.342 9.248 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -17.788 7.866 -1.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -16.150 8.175 -1.850 1.00 0.00 H new ATOM 2024 N GLU B 34 -17.397 2.773 -1.627 1.00 0.00 N ATOM 2025 CA GLU B 34 -17.988 2.927 -0.261 1.00 0.00 C ATOM 2026 C GLU B 34 -16.883 2.755 0.792 1.00 0.00 C ATOM 2027 O GLU B 34 -16.880 3.426 1.805 1.00 0.00 O ATOM 2028 CB GLU B 34 -19.083 1.876 -0.049 1.00 0.00 C ATOM 2029 CG GLU B 34 -19.857 2.178 1.238 1.00 0.00 C ATOM 2030 CD GLU B 34 -19.014 1.781 2.452 1.00 0.00 C ATOM 2031 OE1 GLU B 34 -18.727 0.603 2.589 1.00 0.00 O ATOM 2032 OE2 GLU B 34 -18.670 2.661 3.224 1.00 0.00 O ATOM 0 H GLU B 34 -17.909 2.155 -2.257 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.428 3.919 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.764 1.872 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -18.639 0.882 0.009 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.103 3.239 1.285 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -20.800 1.631 1.243 1.00 0.00 H new ATOM 2039 N LEU B 35 -15.936 1.887 0.560 1.00 0.00 N ATOM 2040 CA LEU B 35 -14.833 1.717 1.554 1.00 0.00 C ATOM 2041 C LEU B 35 -14.031 3.026 1.614 1.00 0.00 C ATOM 2042 O LEU B 35 -13.615 3.455 2.672 1.00 0.00 O ATOM 2043 CB LEU B 35 -13.927 0.528 1.139 1.00 0.00 C ATOM 2044 CG LEU B 35 -14.154 -0.679 2.071 1.00 0.00 C ATOM 2045 CD1 LEU B 35 -13.663 -1.959 1.389 1.00 0.00 C ATOM 2046 CD2 LEU B 35 -13.378 -0.476 3.379 1.00 0.00 C ATOM 0 H LEU B 35 -15.876 1.292 -0.266 1.00 0.00 H new ATOM 0 HA LEU B 35 -15.240 1.497 2.541 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -14.140 0.244 0.109 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -12.881 0.831 1.176 1.00 0.00 H new ATOM 0 HG LEU B 35 -15.219 -0.766 2.287 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -13.825 -2.809 2.051 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -14.214 -2.111 0.461 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.599 -1.869 1.169 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -13.541 -1.331 4.035 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -12.314 -0.384 3.160 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -13.727 0.431 3.872 1.00 0.00 H new ATOM 2058 N ILE B 36 -13.833 3.680 0.502 1.00 0.00 N ATOM 2059 CA ILE B 36 -13.088 4.973 0.513 1.00 0.00 C ATOM 2060 C ILE B 36 -13.879 6.005 1.324 1.00 0.00 C ATOM 2061 O ILE B 36 -13.317 6.861 1.978 1.00 0.00 O ATOM 2062 CB ILE B 36 -12.947 5.467 -0.932 1.00 0.00 C ATOM 2063 CG1 ILE B 36 -12.356 4.343 -1.790 1.00 0.00 C ATOM 2064 CG2 ILE B 36 -12.018 6.686 -0.975 1.00 0.00 C ATOM 2065 CD1 ILE B 36 -12.020 4.872 -3.188 1.00 0.00 C ATOM 0 H ILE B 36 -14.155 3.375 -0.416 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.104 4.835 0.961 1.00 0.00 H new ATOM 0 HB ILE B 36 -13.926 5.751 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.458 3.947 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -13.066 3.520 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -11.921 7.033 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -12.436 7.484 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -11.036 6.409 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.601 4.066 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.927 5.246 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.293 5.680 -3.106 1.00 0.00 H new ATOM 2077 N ASN B 37 -15.180 5.946 1.255 1.00 0.00 N ATOM 2078 CA ASN B 37 -16.024 6.938 1.985 1.00 0.00 C ATOM 2079 C ASN B 37 -15.898 6.767 3.503 1.00 0.00 C ATOM 2080 O ASN B 37 -16.139 7.693 4.251 1.00 0.00 O ATOM 2081 CB ASN B 37 -17.486 6.740 1.582 1.00 0.00 C ATOM 2082 CG ASN B 37 -18.347 7.822 2.235 1.00 0.00 C ATOM 2083 OD1 ASN B 37 -18.745 7.693 3.376 1.00 0.00 O ATOM 2084 ND2 ASN B 37 -18.655 8.893 1.556 1.00 0.00 N ATOM 0 H ASN B 37 -15.700 5.249 0.721 1.00 0.00 H new ATOM 0 HA ASN B 37 -15.683 7.939 1.722 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -17.585 6.787 0.498 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -17.829 5.752 1.891 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -19.229 9.620 1.983 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -18.322 9.003 0.598 1.00 0.00 H new ATOM 2091 N ASN B 38 -15.551 5.590 3.968 1.00 0.00 N ATOM 2092 CA ASN B 38 -15.438 5.354 5.448 1.00 0.00 C ATOM 2093 C ASN B 38 -14.004 4.968 5.823 1.00 0.00 C ATOM 2094 O ASN B 38 -13.729 4.646 6.962 1.00 0.00 O ATOM 2095 CB ASN B 38 -16.385 4.214 5.842 1.00 0.00 C ATOM 2096 CG ASN B 38 -16.598 4.218 7.358 1.00 0.00 C ATOM 2097 OD1 ASN B 38 -15.803 4.766 8.094 1.00 0.00 O ATOM 2098 ND2 ASN B 38 -17.648 3.625 7.857 1.00 0.00 N ATOM 0 H ASN B 38 -15.340 4.779 3.387 1.00 0.00 H new ATOM 0 HA ASN B 38 -15.704 6.270 5.976 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -17.341 4.330 5.331 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.969 3.257 5.526 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -17.801 3.622 8.865 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -18.316 3.165 7.239 1.00 0.00 H new ATOM 2105 N GLU B 39 -13.090 4.982 4.881 1.00 0.00 N ATOM 2106 CA GLU B 39 -11.671 4.597 5.192 1.00 0.00 C ATOM 2107 C GLU B 39 -10.709 5.726 4.797 1.00 0.00 C ATOM 2108 O GLU B 39 -9.648 5.861 5.373 1.00 0.00 O ATOM 2109 CB GLU B 39 -11.321 3.330 4.404 1.00 0.00 C ATOM 2110 CG GLU B 39 -10.075 2.676 5.004 1.00 0.00 C ATOM 2111 CD GLU B 39 -10.441 2.010 6.332 1.00 0.00 C ATOM 2112 OE1 GLU B 39 -10.969 0.911 6.295 1.00 0.00 O ATOM 2113 OE2 GLU B 39 -10.190 2.612 7.363 1.00 0.00 O ATOM 0 H GLU B 39 -13.263 5.243 3.910 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.573 4.416 6.263 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -12.158 2.632 4.429 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -11.145 3.578 3.357 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.670 1.937 4.313 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.298 3.424 5.161 1.00 0.00 H new ATOM 2120 N LEU B 40 -11.070 6.538 3.831 1.00 0.00 N ATOM 2121 CA LEU B 40 -10.174 7.667 3.400 1.00 0.00 C ATOM 2122 C LEU B 40 -10.888 9.002 3.655 1.00 0.00 C ATOM 2123 O LEU B 40 -10.480 10.038 3.169 1.00 0.00 O ATOM 2124 CB LEU B 40 -9.864 7.521 1.892 1.00 0.00 C ATOM 2125 CG LEU B 40 -8.546 6.750 1.667 1.00 0.00 C ATOM 2126 CD1 LEU B 40 -7.337 7.573 2.161 1.00 0.00 C ATOM 2127 CD2 LEU B 40 -8.599 5.402 2.403 1.00 0.00 C ATOM 0 H LEU B 40 -11.949 6.469 3.319 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.243 7.640 3.966 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.683 6.998 1.398 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.794 8.508 1.435 1.00 0.00 H new ATOM 0 HG LEU B 40 -8.427 6.574 0.598 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.420 7.009 1.992 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.290 8.515 1.614 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.446 7.777 3.226 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.666 4.862 2.241 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.737 5.575 3.470 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.431 4.811 2.021 1.00 0.00 H new ATOM 2139 N SER B 41 -11.952 8.981 4.409 1.00 0.00 N ATOM 2140 CA SER B 41 -12.697 10.242 4.690 1.00 0.00 C ATOM 2141 C SER B 41 -11.897 11.125 5.654 1.00 0.00 C ATOM 2142 O SER B 41 -12.048 12.330 5.672 1.00 0.00 O ATOM 2143 CB SER B 41 -14.051 9.903 5.316 1.00 0.00 C ATOM 2144 OG SER B 41 -13.871 8.902 6.310 1.00 0.00 O ATOM 0 H SER B 41 -12.339 8.144 4.844 1.00 0.00 H new ATOM 0 HA SER B 41 -12.847 10.782 3.755 1.00 0.00 H new ATOM 0 HB2 SER B 41 -14.494 10.795 5.758 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.741 9.551 4.549 1.00 0.00 H new ATOM 0 HG SER B 41 -14.736 8.683 6.714 1.00 0.00 H new ATOM 2150 N HIS B 42 -11.055 10.539 6.461 1.00 0.00 N ATOM 2151 CA HIS B 42 -10.261 11.352 7.427 1.00 0.00 C ATOM 2152 C HIS B 42 -9.149 12.109 6.695 1.00 0.00 C ATOM 2153 O HIS B 42 -8.979 13.299 6.867 1.00 0.00 O ATOM 2154 CB HIS B 42 -9.639 10.428 8.476 1.00 0.00 C ATOM 2155 CG HIS B 42 -10.731 9.738 9.247 1.00 0.00 C ATOM 2156 ND1 HIS B 42 -11.104 8.429 8.988 1.00 0.00 N ATOM 2157 CD2 HIS B 42 -11.538 10.162 10.273 1.00 0.00 C ATOM 2158 CE1 HIS B 42 -12.096 8.114 9.841 1.00 0.00 C ATOM 2159 NE2 HIS B 42 -12.399 9.135 10.647 1.00 0.00 N ATOM 0 H HIS B 42 -10.882 9.534 6.494 1.00 0.00 H new ATOM 0 HA HIS B 42 -10.921 12.072 7.911 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -8.999 9.690 7.992 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -9.008 11.003 9.154 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -11.509 11.144 10.722 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -12.587 7.153 9.870 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -13.109 9.157 11.379 1.00 0.00 H new ATOM 2167 N PHE B 43 -8.382 11.427 5.889 1.00 0.00 N ATOM 2168 CA PHE B 43 -7.273 12.109 5.161 1.00 0.00 C ATOM 2169 C PHE B 43 -7.846 13.112 4.157 1.00 0.00 C ATOM 2170 O PHE B 43 -7.164 14.011 3.706 1.00 0.00 O ATOM 2171 CB PHE B 43 -6.430 11.066 4.424 1.00 0.00 C ATOM 2172 CG PHE B 43 -5.620 10.279 5.429 1.00 0.00 C ATOM 2173 CD1 PHE B 43 -4.506 10.866 6.042 1.00 0.00 C ATOM 2174 CD2 PHE B 43 -5.984 8.965 5.752 1.00 0.00 C ATOM 2175 CE1 PHE B 43 -3.756 10.141 6.975 1.00 0.00 C ATOM 2176 CE2 PHE B 43 -5.234 8.240 6.686 1.00 0.00 C ATOM 2177 CZ PHE B 43 -4.120 8.829 7.298 1.00 0.00 C ATOM 0 H PHE B 43 -8.475 10.428 5.703 1.00 0.00 H new ATOM 0 HA PHE B 43 -6.648 12.642 5.877 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.075 10.396 3.855 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -5.768 11.555 3.709 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -4.225 11.879 5.794 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.843 8.511 5.280 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -2.896 10.594 7.446 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.514 7.227 6.935 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.542 8.270 8.019 1.00 0.00 H new ATOM 2187 N LEU B 44 -9.088 12.956 3.791 1.00 0.00 N ATOM 2188 CA LEU B 44 -9.697 13.889 2.802 1.00 0.00 C ATOM 2189 C LEU B 44 -9.404 15.338 3.200 1.00 0.00 C ATOM 2190 O LEU B 44 -9.336 16.218 2.365 1.00 0.00 O ATOM 2191 CB LEU B 44 -11.214 13.661 2.756 1.00 0.00 C ATOM 2192 CG LEU B 44 -11.887 14.693 1.836 1.00 0.00 C ATOM 2193 CD1 LEU B 44 -11.229 14.679 0.448 1.00 0.00 C ATOM 2194 CD2 LEU B 44 -13.372 14.342 1.701 1.00 0.00 C ATOM 0 H LEU B 44 -9.708 12.222 4.134 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.269 13.700 1.817 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.425 12.653 2.398 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.629 13.736 3.761 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.774 15.688 2.266 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -11.716 15.414 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -10.171 14.925 0.544 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -11.333 13.688 0.006 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -13.860 15.068 1.050 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.473 13.345 1.272 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -13.842 14.363 2.684 1.00 0.00 H new ATOM 2206 N GLU B 45 -9.237 15.601 4.464 1.00 0.00 N ATOM 2207 CA GLU B 45 -8.960 16.998 4.895 1.00 0.00 C ATOM 2208 C GLU B 45 -7.519 17.379 4.550 1.00 0.00 C ATOM 2209 O GLU B 45 -7.237 18.499 4.174 1.00 0.00 O ATOM 2210 CB GLU B 45 -9.168 17.114 6.406 1.00 0.00 C ATOM 2211 CG GLU B 45 -9.042 18.579 6.829 1.00 0.00 C ATOM 2212 CD GLU B 45 -9.529 18.739 8.270 1.00 0.00 C ATOM 2213 OE1 GLU B 45 -9.479 17.765 9.003 1.00 0.00 O ATOM 2214 OE2 GLU B 45 -9.944 19.833 8.616 1.00 0.00 O ATOM 0 H GLU B 45 -9.280 14.912 5.215 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.641 17.673 4.376 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -10.151 16.729 6.679 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.431 16.508 6.933 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.005 18.904 6.746 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -9.629 19.212 6.163 1.00 0.00 H new ATOM 2221 N GLU B 46 -6.600 16.464 4.697 1.00 0.00 N ATOM 2222 CA GLU B 46 -5.168 16.784 4.402 1.00 0.00 C ATOM 2223 C GLU B 46 -4.832 16.479 2.938 1.00 0.00 C ATOM 2224 O GLU B 46 -3.903 15.751 2.650 1.00 0.00 O ATOM 2225 CB GLU B 46 -4.269 15.939 5.308 1.00 0.00 C ATOM 2226 CG GLU B 46 -4.591 16.243 6.772 1.00 0.00 C ATOM 2227 CD GLU B 46 -3.539 15.592 7.672 1.00 0.00 C ATOM 2228 OE1 GLU B 46 -2.364 15.767 7.397 1.00 0.00 O ATOM 2229 OE2 GLU B 46 -3.927 14.929 8.619 1.00 0.00 O ATOM 0 H GLU B 46 -6.775 15.509 5.008 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.003 17.846 4.585 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.421 14.879 5.103 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -3.221 16.156 5.102 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.608 17.321 6.935 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.583 15.867 7.023 1.00 0.00 H new ATOM 2236 N ILE B 47 -5.563 17.051 2.011 1.00 0.00 N ATOM 2237 CA ILE B 47 -5.275 16.825 0.555 1.00 0.00 C ATOM 2238 C ILE B 47 -5.181 18.185 -0.143 1.00 0.00 C ATOM 2239 O ILE B 47 -5.616 19.192 0.380 1.00 0.00 O ATOM 2240 CB ILE B 47 -6.391 15.975 -0.072 1.00 0.00 C ATOM 2241 CG1 ILE B 47 -6.243 14.530 0.435 1.00 0.00 C ATOM 2242 CG2 ILE B 47 -6.268 16.005 -1.606 1.00 0.00 C ATOM 2243 CD1 ILE B 47 -7.366 13.643 -0.116 1.00 0.00 C ATOM 0 H ILE B 47 -6.352 17.669 2.200 1.00 0.00 H new ATOM 0 HA ILE B 47 -4.332 16.291 0.438 1.00 0.00 H new ATOM 0 HB ILE B 47 -7.367 16.371 0.208 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -5.275 14.130 0.131 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -6.265 14.518 1.525 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -7.061 15.401 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -6.356 17.033 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -5.299 15.602 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -7.242 12.626 0.255 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -8.330 14.033 0.210 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -7.325 13.639 -1.205 1.00 0.00 H new ATOM 2255 N LYS B 48 -4.609 18.225 -1.318 1.00 0.00 N ATOM 2256 CA LYS B 48 -4.477 19.521 -2.050 1.00 0.00 C ATOM 2257 C LYS B 48 -4.675 19.292 -3.550 1.00 0.00 C ATOM 2258 O LYS B 48 -5.389 20.025 -4.205 1.00 0.00 O ATOM 2259 CB LYS B 48 -3.081 20.099 -1.809 1.00 0.00 C ATOM 2260 CG LYS B 48 -2.930 21.404 -2.593 1.00 0.00 C ATOM 2261 CD LYS B 48 -1.676 22.143 -2.121 1.00 0.00 C ATOM 2262 CE LYS B 48 -1.320 23.239 -3.127 1.00 0.00 C ATOM 2263 NZ LYS B 48 -0.258 24.113 -2.553 1.00 0.00 N ATOM 0 H LYS B 48 -4.226 17.414 -1.804 1.00 0.00 H new ATOM 0 HA LYS B 48 -5.233 20.217 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -2.929 20.281 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -2.320 19.384 -2.122 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -2.860 21.193 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -3.810 22.031 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -1.847 22.580 -1.137 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -0.846 21.444 -2.020 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -0.975 22.793 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -2.204 23.831 -3.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -0.015 24.859 -3.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -0.604 24.548 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 0.587 23.543 -2.348 1.00 0.00 H new ATOM 2277 N GLU B 49 -4.050 18.289 -4.106 1.00 0.00 N ATOM 2278 CA GLU B 49 -4.214 18.042 -5.567 1.00 0.00 C ATOM 2279 C GLU B 49 -5.623 17.502 -5.830 1.00 0.00 C ATOM 2280 O GLU B 49 -5.796 16.401 -6.314 1.00 0.00 O ATOM 2281 CB GLU B 49 -3.172 17.025 -6.041 1.00 0.00 C ATOM 2282 CG GLU B 49 -1.802 17.384 -5.460 1.00 0.00 C ATOM 2283 CD GLU B 49 -1.406 18.789 -5.917 1.00 0.00 C ATOM 2284 OE1 GLU B 49 -1.893 19.741 -5.331 1.00 0.00 O ATOM 2285 OE2 GLU B 49 -0.621 18.889 -6.847 1.00 0.00 O ATOM 0 H GLU B 49 -3.438 17.636 -3.617 1.00 0.00 H new ATOM 0 HA GLU B 49 -4.072 18.974 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -3.460 16.022 -5.727 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.126 17.017 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -1.834 17.340 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.056 16.660 -5.787 1.00 0.00 H new ATOM 2292 N GLN B 50 -6.629 18.261 -5.492 1.00 0.00 N ATOM 2293 CA GLN B 50 -8.030 17.790 -5.693 1.00 0.00 C ATOM 2294 C GLN B 50 -8.189 17.154 -7.078 1.00 0.00 C ATOM 2295 O GLN B 50 -9.026 16.297 -7.284 1.00 0.00 O ATOM 2296 CB GLN B 50 -8.982 18.983 -5.578 1.00 0.00 C ATOM 2297 CG GLN B 50 -9.050 19.445 -4.121 1.00 0.00 C ATOM 2298 CD GLN B 50 -9.803 18.405 -3.288 1.00 0.00 C ATOM 2299 OE1 GLN B 50 -9.204 17.672 -2.525 1.00 0.00 O ATOM 2300 NE2 GLN B 50 -11.099 18.309 -3.401 1.00 0.00 N ATOM 0 H GLN B 50 -6.541 19.191 -5.083 1.00 0.00 H new ATOM 0 HA GLN B 50 -8.264 17.045 -4.933 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -8.637 19.799 -6.213 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -9.976 18.704 -5.929 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -8.044 19.584 -3.725 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -9.553 20.410 -4.058 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -11.602 18.924 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -11.609 17.619 -2.849 1.00 0.00 H new ATOM 2309 N GLU B 51 -7.400 17.569 -8.032 1.00 0.00 N ATOM 2310 CA GLU B 51 -7.521 16.988 -9.401 1.00 0.00 C ATOM 2311 C GLU B 51 -6.981 15.556 -9.412 1.00 0.00 C ATOM 2312 O GLU B 51 -7.378 14.749 -10.229 1.00 0.00 O ATOM 2313 CB GLU B 51 -6.767 17.850 -10.415 1.00 0.00 C ATOM 2314 CG GLU B 51 -5.340 18.094 -9.919 1.00 0.00 C ATOM 2315 CD GLU B 51 -4.570 18.911 -10.958 1.00 0.00 C ATOM 2316 OE1 GLU B 51 -5.143 19.848 -11.489 1.00 0.00 O ATOM 2317 OE2 GLU B 51 -3.420 18.587 -11.204 1.00 0.00 O ATOM 0 H GLU B 51 -6.679 18.283 -7.924 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.574 16.968 -9.682 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.746 17.354 -11.385 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.282 18.800 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -5.361 18.624 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -4.837 17.143 -9.744 1.00 0.00 H new ATOM 2324 N VAL B 52 -6.122 15.207 -8.497 1.00 0.00 N ATOM 2325 CA VAL B 52 -5.631 13.801 -8.461 1.00 0.00 C ATOM 2326 C VAL B 52 -6.767 12.929 -7.927 1.00 0.00 C ATOM 2327 O VAL B 52 -7.089 11.905 -8.495 1.00 0.00 O ATOM 2328 CB VAL B 52 -4.417 13.697 -7.529 1.00 0.00 C ATOM 2329 CG1 VAL B 52 -4.090 12.224 -7.260 1.00 0.00 C ATOM 2330 CG2 VAL B 52 -3.209 14.370 -8.185 1.00 0.00 C ATOM 0 H VAL B 52 -5.742 15.825 -7.780 1.00 0.00 H new ATOM 0 HA VAL B 52 -5.331 13.475 -9.457 1.00 0.00 H new ATOM 0 HB VAL B 52 -4.648 14.194 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.227 12.158 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -4.946 11.741 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -3.864 11.724 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -2.347 14.296 -7.522 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -2.985 13.874 -9.129 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -3.434 15.420 -8.371 1.00 0.00 H new ATOM 2340 N VAL B 53 -7.386 13.322 -6.850 1.00 0.00 N ATOM 2341 CA VAL B 53 -8.504 12.503 -6.309 1.00 0.00 C ATOM 2342 C VAL B 53 -9.638 12.476 -7.332 1.00 0.00 C ATOM 2343 O VAL B 53 -10.326 11.488 -7.493 1.00 0.00 O ATOM 2344 CB VAL B 53 -9.012 13.128 -5.011 1.00 0.00 C ATOM 2345 CG1 VAL B 53 -10.088 12.230 -4.398 1.00 0.00 C ATOM 2346 CG2 VAL B 53 -7.852 13.275 -4.027 1.00 0.00 C ATOM 0 H VAL B 53 -7.168 14.169 -6.324 1.00 0.00 H new ATOM 0 HA VAL B 53 -8.156 11.489 -6.111 1.00 0.00 H new ATOM 0 HB VAL B 53 -9.435 14.110 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -10.450 12.676 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -10.917 12.125 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -9.665 11.248 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -8.215 13.721 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -7.428 12.293 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -7.085 13.916 -4.462 1.00 0.00 H new ATOM 2356 N ASP B 54 -9.837 13.565 -8.022 1.00 0.00 N ATOM 2357 CA ASP B 54 -10.923 13.621 -9.036 1.00 0.00 C ATOM 2358 C ASP B 54 -10.726 12.502 -10.058 1.00 0.00 C ATOM 2359 O ASP B 54 -11.660 11.824 -10.436 1.00 0.00 O ATOM 2360 CB ASP B 54 -10.885 14.975 -9.749 1.00 0.00 C ATOM 2361 CG ASP B 54 -12.043 15.062 -10.744 1.00 0.00 C ATOM 2362 OD1 ASP B 54 -13.137 15.401 -10.322 1.00 0.00 O ATOM 2363 OD2 ASP B 54 -11.816 14.790 -11.911 1.00 0.00 O ATOM 0 H ASP B 54 -9.291 14.421 -7.925 1.00 0.00 H new ATOM 0 HA ASP B 54 -11.887 13.496 -8.543 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -10.956 15.783 -9.021 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -9.935 15.097 -10.269 1.00 0.00 H new ATOM 2368 N LYS B 55 -9.518 12.307 -10.518 1.00 0.00 N ATOM 2369 CA LYS B 55 -9.277 11.236 -11.524 1.00 0.00 C ATOM 2370 C LYS B 55 -9.411 9.865 -10.861 1.00 0.00 C ATOM 2371 O LYS B 55 -9.761 8.897 -11.506 1.00 0.00 O ATOM 2372 CB LYS B 55 -7.884 11.392 -12.135 1.00 0.00 C ATOM 2373 CG LYS B 55 -7.897 12.536 -13.152 1.00 0.00 C ATOM 2374 CD LYS B 55 -6.467 12.830 -13.610 1.00 0.00 C ATOM 2375 CE LYS B 55 -6.485 13.961 -14.641 1.00 0.00 C ATOM 2376 NZ LYS B 55 -5.088 14.290 -15.042 1.00 0.00 N ATOM 0 H LYS B 55 -8.694 12.840 -10.242 1.00 0.00 H new ATOM 0 HA LYS B 55 -10.018 11.321 -12.319 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -7.153 11.595 -11.353 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -7.582 10.464 -12.620 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -8.516 12.268 -14.008 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -8.338 13.428 -12.706 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -5.851 13.111 -12.756 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -6.021 11.935 -14.044 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -7.065 13.662 -15.514 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -6.971 14.842 -14.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -5.100 15.059 -15.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -4.549 14.592 -14.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -4.639 13.449 -15.458 1.00 0.00 H new ATOM 2390 N VAL B 56 -9.178 9.763 -9.580 1.00 0.00 N ATOM 2391 CA VAL B 56 -9.342 8.444 -8.907 1.00 0.00 C ATOM 2392 C VAL B 56 -10.822 8.063 -8.958 1.00 0.00 C ATOM 2393 O VAL B 56 -11.189 7.024 -9.470 1.00 0.00 O ATOM 2394 CB VAL B 56 -8.887 8.557 -7.447 1.00 0.00 C ATOM 2395 CG1 VAL B 56 -9.271 7.285 -6.686 1.00 0.00 C ATOM 2396 CG2 VAL B 56 -7.367 8.734 -7.402 1.00 0.00 C ATOM 0 H VAL B 56 -8.884 10.530 -8.975 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.741 7.684 -9.407 1.00 0.00 H new ATOM 0 HB VAL B 56 -9.372 9.416 -6.983 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -8.946 7.369 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -10.353 7.155 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -8.788 6.424 -7.149 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -7.041 8.815 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -6.887 7.874 -7.868 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -7.090 9.640 -7.941 1.00 0.00 H new ATOM 2406 N MET B 57 -11.675 8.896 -8.427 1.00 0.00 N ATOM 2407 CA MET B 57 -13.131 8.582 -8.441 1.00 0.00 C ATOM 2408 C MET B 57 -13.575 8.256 -9.867 1.00 0.00 C ATOM 2409 O MET B 57 -14.505 7.501 -10.075 1.00 0.00 O ATOM 2410 CB MET B 57 -13.921 9.784 -7.918 1.00 0.00 C ATOM 2411 CG MET B 57 -13.576 10.021 -6.446 1.00 0.00 C ATOM 2412 SD MET B 57 -14.271 8.685 -5.442 1.00 0.00 S ATOM 2413 CE MET B 57 -13.598 9.222 -3.850 1.00 0.00 C ATOM 0 H MET B 57 -11.426 9.780 -7.984 1.00 0.00 H new ATOM 0 HA MET B 57 -13.319 7.720 -7.801 1.00 0.00 H new ATOM 0 HB2 MET B 57 -13.685 10.671 -8.505 1.00 0.00 H new ATOM 0 HB3 MET B 57 -14.991 9.605 -8.027 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.494 10.063 -6.317 1.00 0.00 H new ATOM 0 HG3 MET B 57 -13.973 10.982 -6.118 1.00 0.00 H new ATOM 0 HE1 MET B 57 -13.909 8.527 -3.070 1.00 0.00 H new ATOM 0 HE2 MET B 57 -12.510 9.244 -3.904 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.970 10.220 -3.616 1.00 0.00 H new ATOM 2423 N GLU B 58 -12.901 8.783 -10.859 1.00 0.00 N ATOM 2424 CA GLU B 58 -13.272 8.460 -12.268 1.00 0.00 C ATOM 2425 C GLU B 58 -12.573 7.161 -12.670 1.00 0.00 C ATOM 2426 O GLU B 58 -13.106 6.374 -13.425 1.00 0.00 O ATOM 2427 CB GLU B 58 -12.872 9.601 -13.207 1.00 0.00 C ATOM 2428 CG GLU B 58 -13.224 9.226 -14.648 1.00 0.00 C ATOM 2429 CD GLU B 58 -13.166 10.474 -15.530 1.00 0.00 C ATOM 2430 OE1 GLU B 58 -14.030 11.322 -15.380 1.00 0.00 O ATOM 2431 OE2 GLU B 58 -12.258 10.561 -16.341 1.00 0.00 O ATOM 0 H GLU B 58 -12.112 9.421 -10.753 1.00 0.00 H new ATOM 0 HA GLU B 58 -14.352 8.335 -12.344 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.388 10.518 -12.922 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -11.803 9.798 -13.122 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -12.529 8.473 -15.019 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -14.221 8.786 -14.687 1.00 0.00 H new ATOM 2438 N THR B 59 -11.400 6.910 -12.159 1.00 0.00 N ATOM 2439 CA THR B 59 -10.714 5.637 -12.511 1.00 0.00 C ATOM 2440 C THR B 59 -11.492 4.489 -11.866 1.00 0.00 C ATOM 2441 O THR B 59 -11.780 3.500 -12.510 1.00 0.00 O ATOM 2442 CB THR B 59 -9.264 5.654 -12.015 1.00 0.00 C ATOM 2443 OG1 THR B 59 -8.696 6.932 -12.266 1.00 0.00 O ATOM 2444 CG2 THR B 59 -8.451 4.583 -12.749 1.00 0.00 C ATOM 0 H THR B 59 -10.892 7.523 -11.521 1.00 0.00 H new ATOM 0 HA THR B 59 -10.688 5.509 -13.593 1.00 0.00 H new ATOM 0 HB THR B 59 -9.247 5.447 -10.945 1.00 0.00 H new ATOM 0 HG1 THR B 59 -9.056 7.581 -11.627 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.421 4.600 -12.392 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.885 3.602 -12.558 1.00 0.00 H new ATOM 0 HG23 THR B 59 -8.467 4.784 -13.820 1.00 0.00 H new ATOM 2452 N LEU B 60 -11.877 4.608 -10.625 1.00 0.00 N ATOM 2453 CA LEU B 60 -12.677 3.520 -9.998 1.00 0.00 C ATOM 2454 C LEU B 60 -13.957 3.334 -10.818 1.00 0.00 C ATOM 2455 O LEU B 60 -14.225 2.266 -11.332 1.00 0.00 O ATOM 2456 CB LEU B 60 -13.045 3.925 -8.555 1.00 0.00 C ATOM 2457 CG LEU B 60 -11.932 3.534 -7.561 1.00 0.00 C ATOM 2458 CD1 LEU B 60 -11.959 2.022 -7.279 1.00 0.00 C ATOM 2459 CD2 LEU B 60 -10.558 3.931 -8.118 1.00 0.00 C ATOM 0 H LEU B 60 -11.674 5.405 -10.022 1.00 0.00 H new ATOM 0 HA LEU B 60 -12.105 2.592 -9.975 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -13.215 5.001 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -13.979 3.442 -8.267 1.00 0.00 H new ATOM 0 HG LEU B 60 -12.109 4.068 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -11.166 1.769 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -12.924 1.749 -6.852 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -11.807 1.476 -8.210 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -9.782 3.649 -7.407 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -10.387 3.417 -9.064 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -10.528 5.009 -8.280 1.00 0.00 H new ATOM 2471 N ASP B 61 -14.748 4.364 -10.948 1.00 0.00 N ATOM 2472 CA ASP B 61 -16.002 4.235 -11.739 1.00 0.00 C ATOM 2473 C ASP B 61 -15.676 3.648 -13.114 1.00 0.00 C ATOM 2474 O ASP B 61 -16.522 3.068 -13.765 1.00 0.00 O ATOM 2475 CB ASP B 61 -16.643 5.613 -11.910 1.00 0.00 C ATOM 2476 CG ASP B 61 -17.999 5.462 -12.603 1.00 0.00 C ATOM 2477 OD1 ASP B 61 -18.007 5.176 -13.789 1.00 0.00 O ATOM 2478 OD2 ASP B 61 -19.005 5.634 -11.935 1.00 0.00 O ATOM 0 H ASP B 61 -14.580 5.285 -10.542 1.00 0.00 H new ATOM 0 HA ASP B 61 -16.696 3.576 -11.217 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -16.770 6.090 -10.938 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -15.991 6.259 -12.499 1.00 0.00 H new ATOM 2483 N GLU B 62 -14.452 3.797 -13.563 1.00 0.00 N ATOM 2484 CA GLU B 62 -14.061 3.250 -14.902 1.00 0.00 C ATOM 2485 C GLU B 62 -13.284 1.956 -14.721 1.00 0.00 C ATOM 2486 O GLU B 62 -12.316 1.680 -15.401 1.00 0.00 O ATOM 2487 CB GLU B 62 -13.180 4.242 -15.609 1.00 0.00 C ATOM 2488 CG GLU B 62 -13.997 5.465 -16.032 1.00 0.00 C ATOM 2489 CD GLU B 62 -14.950 5.076 -17.163 1.00 0.00 C ATOM 2490 OE1 GLU B 62 -14.661 4.110 -17.850 1.00 0.00 O ATOM 2491 OE2 GLU B 62 -15.954 5.751 -17.324 1.00 0.00 O ATOM 0 H GLU B 62 -13.705 4.275 -13.059 1.00 0.00 H new ATOM 0 HA GLU B 62 -14.962 3.063 -15.486 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -12.365 4.549 -14.953 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -12.726 3.778 -16.485 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -14.562 5.850 -15.183 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -13.332 6.264 -16.361 1.00 0.00 H new ATOM 2498 N ASP B 63 -13.719 1.178 -13.809 1.00 0.00 N ATOM 2499 CA ASP B 63 -13.058 -0.133 -13.519 1.00 0.00 C ATOM 2500 C ASP B 63 -12.747 -0.849 -14.833 1.00 0.00 C ATOM 2501 O ASP B 63 -11.703 -1.448 -15.000 1.00 0.00 O ATOM 2502 CB ASP B 63 -14.041 -0.993 -12.733 1.00 0.00 C ATOM 2503 CG ASP B 63 -13.442 -2.382 -12.508 1.00 0.00 C ATOM 2504 OD1 ASP B 63 -12.244 -2.461 -12.294 1.00 0.00 O ATOM 2505 OD2 ASP B 63 -14.193 -3.343 -12.553 1.00 0.00 O ATOM 0 H ASP B 63 -14.528 1.382 -13.223 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.138 0.030 -12.958 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -14.266 -0.523 -11.775 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -14.982 -1.076 -13.276 1.00 0.00 H new ATOM 2510 N GLY B 64 -13.646 -0.766 -15.769 1.00 0.00 N ATOM 2511 CA GLY B 64 -13.435 -1.414 -17.094 1.00 0.00 C ATOM 2512 C GLY B 64 -13.100 -2.908 -16.949 1.00 0.00 C ATOM 2513 O GLY B 64 -13.026 -3.617 -17.934 1.00 0.00 O ATOM 0 H GLY B 64 -14.532 -0.270 -15.673 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -14.332 -1.300 -17.702 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -12.626 -0.909 -17.621 1.00 0.00 H new ATOM 2517 N ASP B 65 -12.884 -3.400 -15.746 1.00 0.00 N ATOM 2518 CA ASP B 65 -12.538 -4.856 -15.562 1.00 0.00 C ATOM 2519 C ASP B 65 -13.710 -5.669 -14.945 1.00 0.00 C ATOM 2520 O ASP B 65 -13.640 -6.881 -14.891 1.00 0.00 O ATOM 2521 CB ASP B 65 -11.326 -4.961 -14.633 1.00 0.00 C ATOM 2522 CG ASP B 65 -10.750 -6.377 -14.699 1.00 0.00 C ATOM 2523 OD1 ASP B 65 -9.937 -6.625 -15.575 1.00 0.00 O ATOM 2524 OD2 ASP B 65 -11.130 -7.190 -13.872 1.00 0.00 O ATOM 0 H ASP B 65 -12.932 -2.858 -14.883 1.00 0.00 H new ATOM 0 HA ASP B 65 -12.324 -5.273 -16.546 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -10.567 -4.235 -14.925 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -11.618 -4.723 -13.610 1.00 0.00 H new ATOM 2529 N GLY B 66 -14.784 -5.058 -14.493 1.00 0.00 N ATOM 2530 CA GLY B 66 -15.907 -5.855 -13.919 1.00 0.00 C ATOM 2531 C GLY B 66 -15.592 -6.258 -12.473 1.00 0.00 C ATOM 2532 O GLY B 66 -16.483 -6.432 -11.664 1.00 0.00 O ATOM 0 H GLY B 66 -14.926 -4.048 -14.499 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -16.827 -5.272 -13.948 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -16.075 -6.746 -14.523 1.00 0.00 H new ATOM 2536 N GLU B 67 -14.337 -6.406 -12.133 1.00 0.00 N ATOM 2537 CA GLU B 67 -13.987 -6.795 -10.729 1.00 0.00 C ATOM 2538 C GLU B 67 -12.609 -6.243 -10.354 1.00 0.00 C ATOM 2539 O GLU B 67 -11.661 -6.367 -11.104 1.00 0.00 O ATOM 2540 CB GLU B 67 -13.976 -8.320 -10.610 1.00 0.00 C ATOM 2541 CG GLU B 67 -15.391 -8.863 -10.826 1.00 0.00 C ATOM 2542 CD GLU B 67 -15.451 -10.325 -10.380 1.00 0.00 C ATOM 2543 OE1 GLU B 67 -15.276 -10.571 -9.198 1.00 0.00 O ATOM 2544 OE2 GLU B 67 -15.670 -11.174 -11.228 1.00 0.00 O ATOM 0 H GLU B 67 -13.543 -6.276 -12.760 1.00 0.00 H new ATOM 0 HA GLU B 67 -14.731 -6.379 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -13.295 -8.747 -11.346 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -13.608 -8.615 -9.627 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -16.110 -8.270 -10.261 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -15.667 -8.781 -11.877 1.00 0.00 H new ATOM 2551 N CYS B 68 -12.486 -5.643 -9.193 1.00 0.00 N ATOM 2552 CA CYS B 68 -11.164 -5.089 -8.754 1.00 0.00 C ATOM 2553 C CYS B 68 -10.562 -6.016 -7.692 1.00 0.00 C ATOM 2554 O CYS B 68 -11.196 -6.340 -6.708 1.00 0.00 O ATOM 2555 CB CYS B 68 -11.369 -3.696 -8.156 1.00 0.00 C ATOM 2556 SG CYS B 68 -11.986 -2.575 -9.436 1.00 0.00 S ATOM 0 H CYS B 68 -13.248 -5.513 -8.528 1.00 0.00 H new ATOM 0 HA CYS B 68 -10.491 -5.020 -9.608 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -12.076 -3.744 -7.328 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -10.429 -3.321 -7.751 1.00 0.00 H new ATOM 0 HG CYS B 68 -11.700 -3.057 -10.609 1.00 0.00 H new ATOM 2562 N ASP B 69 -9.347 -6.452 -7.887 1.00 0.00 N ATOM 2563 CA ASP B 69 -8.709 -7.366 -6.894 1.00 0.00 C ATOM 2564 C ASP B 69 -8.126 -6.557 -5.731 1.00 0.00 C ATOM 2565 O ASP B 69 -8.289 -5.356 -5.652 1.00 0.00 O ATOM 2566 CB ASP B 69 -7.587 -8.151 -7.576 1.00 0.00 C ATOM 2567 CG ASP B 69 -8.192 -9.194 -8.518 1.00 0.00 C ATOM 2568 OD1 ASP B 69 -8.565 -8.823 -9.619 1.00 0.00 O ATOM 2569 OD2 ASP B 69 -8.272 -10.345 -8.122 1.00 0.00 O ATOM 0 H ASP B 69 -8.767 -6.215 -8.692 1.00 0.00 H new ATOM 0 HA ASP B 69 -9.462 -8.054 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -6.942 -7.473 -8.134 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.964 -8.640 -6.827 1.00 0.00 H new ATOM 2574 N PHE B 70 -7.435 -7.212 -4.834 1.00 0.00 N ATOM 2575 CA PHE B 70 -6.825 -6.486 -3.682 1.00 0.00 C ATOM 2576 C PHE B 70 -5.622 -5.690 -4.191 1.00 0.00 C ATOM 2577 O PHE B 70 -5.325 -4.620 -3.699 1.00 0.00 O ATOM 2578 CB PHE B 70 -6.384 -7.499 -2.618 1.00 0.00 C ATOM 2579 CG PHE B 70 -5.844 -6.785 -1.398 1.00 0.00 C ATOM 2580 CD1 PHE B 70 -4.557 -6.231 -1.419 1.00 0.00 C ATOM 2581 CD2 PHE B 70 -6.628 -6.686 -0.242 1.00 0.00 C ATOM 2582 CE1 PHE B 70 -4.057 -5.579 -0.285 1.00 0.00 C ATOM 2583 CE2 PHE B 70 -6.128 -6.033 0.891 1.00 0.00 C ATOM 2584 CZ PHE B 70 -4.843 -5.480 0.870 1.00 0.00 C ATOM 0 H PHE B 70 -7.267 -8.218 -4.850 1.00 0.00 H new ATOM 0 HA PHE B 70 -7.549 -5.804 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -7.228 -8.128 -2.335 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.619 -8.158 -3.029 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.951 -6.307 -2.310 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -7.619 -7.114 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -3.065 -5.152 -0.301 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -6.734 -5.956 1.781 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.457 -4.977 1.744 1.00 0.00 H new ATOM 2594 N GLN B 71 -4.935 -6.188 -5.179 1.00 0.00 N ATOM 2595 CA GLN B 71 -3.767 -5.437 -5.718 1.00 0.00 C ATOM 2596 C GLN B 71 -4.246 -4.075 -6.226 1.00 0.00 C ATOM 2597 O GLN B 71 -3.564 -3.078 -6.092 1.00 0.00 O ATOM 2598 CB GLN B 71 -3.144 -6.224 -6.873 1.00 0.00 C ATOM 2599 CG GLN B 71 -2.629 -7.568 -6.356 1.00 0.00 C ATOM 2600 CD GLN B 71 -2.289 -8.475 -7.540 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -3.167 -9.058 -8.145 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -1.043 -8.621 -7.899 1.00 0.00 N ATOM 0 H GLN B 71 -5.130 -7.079 -5.636 1.00 0.00 H new ATOM 0 HA GLN B 71 -3.022 -5.298 -4.935 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -3.883 -6.383 -7.658 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -2.326 -5.655 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.746 -7.416 -5.735 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -3.383 -8.041 -5.727 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.305 -8.132 -7.392 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -0.807 -9.224 -8.687 1.00 0.00 H new ATOM 2611 N GLU B 72 -5.415 -4.020 -6.802 1.00 0.00 N ATOM 2612 CA GLU B 72 -5.936 -2.718 -7.310 1.00 0.00 C ATOM 2613 C GLU B 72 -6.347 -1.828 -6.130 1.00 0.00 C ATOM 2614 O GLU B 72 -6.307 -0.619 -6.210 1.00 0.00 O ATOM 2615 CB GLU B 72 -7.142 -2.960 -8.221 1.00 0.00 C ATOM 2616 CG GLU B 72 -6.680 -3.641 -9.511 1.00 0.00 C ATOM 2617 CD GLU B 72 -7.897 -3.973 -10.377 1.00 0.00 C ATOM 2618 OE1 GLU B 72 -8.557 -3.045 -10.816 1.00 0.00 O ATOM 2619 OE2 GLU B 72 -8.148 -5.148 -10.587 1.00 0.00 O ATOM 0 H GLU B 72 -6.032 -4.820 -6.943 1.00 0.00 H new ATOM 0 HA GLU B 72 -5.153 -2.218 -7.880 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -7.877 -3.583 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -7.632 -2.014 -8.452 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -6.000 -2.987 -10.057 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.128 -4.551 -9.277 1.00 0.00 H new ATOM 2626 N PHE B 73 -6.697 -2.423 -5.023 1.00 0.00 N ATOM 2627 CA PHE B 73 -7.072 -1.625 -3.816 1.00 0.00 C ATOM 2628 C PHE B 73 -5.805 -1.059 -3.174 1.00 0.00 C ATOM 2629 O PHE B 73 -5.788 0.072 -2.734 1.00 0.00 O ATOM 2630 CB PHE B 73 -7.837 -2.505 -2.823 1.00 0.00 C ATOM 2631 CG PHE B 73 -8.081 -1.749 -1.535 1.00 0.00 C ATOM 2632 CD1 PHE B 73 -9.058 -0.747 -1.484 1.00 0.00 C ATOM 2633 CD2 PHE B 73 -7.337 -2.057 -0.388 1.00 0.00 C ATOM 2634 CE1 PHE B 73 -9.290 -0.054 -0.290 1.00 0.00 C ATOM 2635 CE2 PHE B 73 -7.571 -1.365 0.806 1.00 0.00 C ATOM 2636 CZ PHE B 73 -8.547 -0.363 0.855 1.00 0.00 C ATOM 0 H PHE B 73 -6.740 -3.435 -4.900 1.00 0.00 H new ATOM 0 HA PHE B 73 -7.721 -0.799 -4.108 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -8.788 -2.814 -3.257 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -7.270 -3.413 -2.618 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -9.633 -0.509 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.583 -2.829 -0.425 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -10.043 0.720 -0.252 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -6.998 -1.604 1.690 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.727 0.172 1.776 1.00 0.00 H new ATOM 2646 N MET B 74 -4.741 -1.801 -3.120 1.00 0.00 N ATOM 2647 CA MET B 74 -3.510 -1.231 -2.507 1.00 0.00 C ATOM 2648 C MET B 74 -2.986 -0.109 -3.413 1.00 0.00 C ATOM 2649 O MET B 74 -2.379 0.830 -2.936 1.00 0.00 O ATOM 2650 CB MET B 74 -2.447 -2.325 -2.334 1.00 0.00 C ATOM 2651 CG MET B 74 -1.477 -1.935 -1.212 1.00 0.00 C ATOM 2652 SD MET B 74 -2.281 -2.197 0.395 1.00 0.00 S ATOM 2653 CE MET B 74 -2.263 -0.485 0.993 1.00 0.00 C ATOM 0 H MET B 74 -4.666 -2.758 -3.465 1.00 0.00 H new ATOM 0 HA MET B 74 -3.739 -0.827 -1.521 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.926 -3.276 -2.099 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.901 -2.465 -3.267 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.568 -2.532 -1.278 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.181 -0.891 -1.318 1.00 0.00 H new ATOM 0 HE1 MET B 74 -2.982 -0.376 1.805 1.00 0.00 H new ATOM 0 HE2 MET B 74 -1.266 -0.237 1.356 1.00 0.00 H new ATOM 0 HE3 MET B 74 -2.530 0.188 0.178 1.00 0.00 H new ATOM 2663 N ALA B 75 -3.219 -0.160 -4.694 1.00 0.00 N ATOM 2664 CA ALA B 75 -2.740 0.943 -5.579 1.00 0.00 C ATOM 2665 C ALA B 75 -3.652 2.170 -5.441 1.00 0.00 C ATOM 2666 O ALA B 75 -3.188 3.257 -5.158 1.00 0.00 O ATOM 2667 CB ALA B 75 -2.754 0.465 -7.032 1.00 0.00 C ATOM 0 H ALA B 75 -3.718 -0.913 -5.167 1.00 0.00 H new ATOM 0 HA ALA B 75 -1.727 1.219 -5.286 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -2.405 1.267 -7.682 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -2.098 -0.399 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -3.769 0.186 -7.313 1.00 0.00 H new ATOM 2673 N PHE B 76 -4.937 2.028 -5.640 1.00 0.00 N ATOM 2674 CA PHE B 76 -5.829 3.221 -5.514 1.00 0.00 C ATOM 2675 C PHE B 76 -5.663 3.834 -4.121 1.00 0.00 C ATOM 2676 O PHE B 76 -5.757 5.033 -3.945 1.00 0.00 O ATOM 2677 CB PHE B 76 -7.299 2.823 -5.724 1.00 0.00 C ATOM 2678 CG PHE B 76 -7.573 2.566 -7.196 1.00 0.00 C ATOM 2679 CD1 PHE B 76 -7.376 3.585 -8.142 1.00 0.00 C ATOM 2680 CD2 PHE B 76 -8.024 1.306 -7.617 1.00 0.00 C ATOM 2681 CE1 PHE B 76 -7.624 3.339 -9.496 1.00 0.00 C ATOM 2682 CE2 PHE B 76 -8.273 1.065 -8.972 1.00 0.00 C ATOM 2683 CZ PHE B 76 -8.072 2.081 -9.912 1.00 0.00 C ATOM 0 H PHE B 76 -5.402 1.153 -5.881 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.551 3.948 -6.277 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -7.527 1.929 -5.144 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -7.953 3.615 -5.359 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.033 4.558 -7.824 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.179 0.520 -6.893 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -7.469 4.123 -10.223 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -8.621 0.094 -9.293 1.00 0.00 H new ATOM 0 HZ PHE B 76 -8.263 1.894 -10.959 1.00 0.00 H new ATOM 2693 N VAL B 77 -5.410 3.025 -3.135 1.00 0.00 N ATOM 2694 CA VAL B 77 -5.232 3.567 -1.759 1.00 0.00 C ATOM 2695 C VAL B 77 -3.930 4.376 -1.704 1.00 0.00 C ATOM 2696 O VAL B 77 -3.835 5.369 -1.010 1.00 0.00 O ATOM 2697 CB VAL B 77 -5.168 2.405 -0.759 1.00 0.00 C ATOM 2698 CG1 VAL B 77 -4.702 2.916 0.610 1.00 0.00 C ATOM 2699 CG2 VAL B 77 -6.558 1.773 -0.619 1.00 0.00 C ATOM 0 H VAL B 77 -5.318 2.013 -3.220 1.00 0.00 H new ATOM 0 HA VAL B 77 -6.071 4.213 -1.502 1.00 0.00 H new ATOM 0 HB VAL B 77 -4.461 1.660 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -4.660 2.085 1.314 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -3.712 3.361 0.514 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -5.403 3.666 0.976 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -6.512 0.948 0.091 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -7.264 2.522 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -6.887 1.399 -1.589 1.00 0.00 H new ATOM 2709 N SER B 78 -2.927 3.958 -2.427 1.00 0.00 N ATOM 2710 CA SER B 78 -1.635 4.702 -2.411 1.00 0.00 C ATOM 2711 C SER B 78 -1.799 6.047 -3.126 1.00 0.00 C ATOM 2712 O SER B 78 -1.464 7.086 -2.593 1.00 0.00 O ATOM 2713 CB SER B 78 -0.563 3.874 -3.123 1.00 0.00 C ATOM 2714 OG SER B 78 -0.620 4.135 -4.519 1.00 0.00 O ATOM 0 H SER B 78 -2.946 3.134 -3.028 1.00 0.00 H new ATOM 0 HA SER B 78 -1.336 4.880 -1.378 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.424 4.124 -2.734 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.721 2.812 -2.933 1.00 0.00 H new ATOM 0 HG SER B 78 -1.431 3.733 -4.894 1.00 0.00 H new ATOM 2720 N MET B 79 -2.293 6.040 -4.333 1.00 0.00 N ATOM 2721 CA MET B 79 -2.453 7.321 -5.077 1.00 0.00 C ATOM 2722 C MET B 79 -3.205 8.330 -4.213 1.00 0.00 C ATOM 2723 O MET B 79 -2.779 9.453 -4.040 1.00 0.00 O ATOM 2724 CB MET B 79 -3.242 7.067 -6.363 1.00 0.00 C ATOM 2725 CG MET B 79 -2.440 6.141 -7.279 1.00 0.00 C ATOM 2726 SD MET B 79 -3.217 6.096 -8.918 1.00 0.00 S ATOM 2727 CE MET B 79 -3.243 4.298 -9.137 1.00 0.00 C ATOM 0 H MET B 79 -2.592 5.204 -4.836 1.00 0.00 H new ATOM 0 HA MET B 79 -1.469 7.720 -5.323 1.00 0.00 H new ATOM 0 HB2 MET B 79 -4.207 6.617 -6.128 1.00 0.00 H new ATOM 0 HB3 MET B 79 -3.445 8.010 -6.870 1.00 0.00 H new ATOM 0 HG2 MET B 79 -1.412 6.494 -7.361 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.400 5.137 -6.855 1.00 0.00 H new ATOM 0 HE1 MET B 79 -3.691 4.055 -10.101 1.00 0.00 H new ATOM 0 HE2 MET B 79 -2.224 3.913 -9.103 1.00 0.00 H new ATOM 0 HE3 MET B 79 -3.830 3.843 -8.339 1.00 0.00 H new ATOM 2737 N VAL B 80 -4.325 7.942 -3.679 1.00 0.00 N ATOM 2738 CA VAL B 80 -5.109 8.889 -2.834 1.00 0.00 C ATOM 2739 C VAL B 80 -4.257 9.340 -1.645 1.00 0.00 C ATOM 2740 O VAL B 80 -4.237 10.502 -1.291 1.00 0.00 O ATOM 2741 CB VAL B 80 -6.372 8.192 -2.323 1.00 0.00 C ATOM 2742 CG1 VAL B 80 -7.109 9.116 -1.351 1.00 0.00 C ATOM 2743 CG2 VAL B 80 -7.288 7.864 -3.504 1.00 0.00 C ATOM 0 H VAL B 80 -4.734 7.014 -3.788 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.390 9.758 -3.429 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.094 7.271 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -8.008 8.619 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.459 9.351 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -7.386 10.037 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -8.187 7.368 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -7.564 8.785 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.766 7.205 -4.198 1.00 0.00 H new ATOM 2753 N THR B 81 -3.545 8.436 -1.032 1.00 0.00 N ATOM 2754 CA THR B 81 -2.689 8.828 0.122 1.00 0.00 C ATOM 2755 C THR B 81 -1.524 9.676 -0.392 1.00 0.00 C ATOM 2756 O THR B 81 -1.224 10.728 0.137 1.00 0.00 O ATOM 2757 CB THR B 81 -2.146 7.571 0.806 1.00 0.00 C ATOM 2758 OG1 THR B 81 -3.216 6.670 1.055 1.00 0.00 O ATOM 2759 CG2 THR B 81 -1.481 7.954 2.130 1.00 0.00 C ATOM 0 H THR B 81 -3.519 7.447 -1.279 1.00 0.00 H new ATOM 0 HA THR B 81 -3.275 9.402 0.840 1.00 0.00 H new ATOM 0 HB THR B 81 -1.411 7.094 0.158 1.00 0.00 H new ATOM 0 HG1 THR B 81 -3.197 5.948 0.392 1.00 0.00 H new ATOM 0 HG21 THR B 81 -1.095 7.058 2.616 1.00 0.00 H new ATOM 0 HG22 THR B 81 -0.660 8.645 1.938 1.00 0.00 H new ATOM 0 HG23 THR B 81 -2.214 8.432 2.780 1.00 0.00 H new ATOM 2767 N THR B 82 -0.869 9.222 -1.425 1.00 0.00 N ATOM 2768 CA THR B 82 0.277 9.988 -1.992 1.00 0.00 C ATOM 2769 C THR B 82 -0.241 11.223 -2.735 1.00 0.00 C ATOM 2770 O THR B 82 0.501 12.144 -3.013 1.00 0.00 O ATOM 2771 CB THR B 82 1.062 9.100 -2.961 1.00 0.00 C ATOM 2772 OG1 THR B 82 0.202 8.663 -4.002 1.00 0.00 O ATOM 2773 CG2 THR B 82 1.617 7.889 -2.211 1.00 0.00 C ATOM 0 H THR B 82 -1.080 8.347 -1.904 1.00 0.00 H new ATOM 0 HA THR B 82 0.931 10.305 -1.180 1.00 0.00 H new ATOM 0 HB THR B 82 1.888 9.669 -3.388 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.397 7.966 -3.661 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.176 7.258 -2.902 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.278 8.227 -1.413 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.794 7.318 -1.782 1.00 0.00 H new ATOM 2781 N ALA B 83 -1.507 11.254 -3.063 1.00 0.00 N ATOM 2782 CA ALA B 83 -2.053 12.436 -3.790 1.00 0.00 C ATOM 2783 C ALA B 83 -1.662 13.704 -3.034 1.00 0.00 C ATOM 2784 O ALA B 83 -1.288 14.699 -3.621 1.00 0.00 O ATOM 2785 CB ALA B 83 -3.579 12.340 -3.866 1.00 0.00 C ATOM 0 H ALA B 83 -2.182 10.516 -2.860 1.00 0.00 H new ATOM 0 HA ALA B 83 -1.647 12.463 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.972 13.206 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -3.860 11.430 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.993 12.315 -2.858 1.00 0.00 H new