USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 665 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 39 HIS : no HD1:sc= -12.5! C(o=-14!,f=-14!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.65! C(o=-14!,f=-21!) USER MOD Set 2.1: A 15 HIS :FLIP no HD1:sc= -9.2! C(o=-12!,f=-9!) USER MOD Set 2.2: A 20 SER OG : rot -51:sc= 0.228 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 103:sc= -2.14 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 13 GLN : amide:sc= -2.44! C(o=-2.4!,f=-5.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 69:sc= 0.118 USER MOD Single : A 26 HIS : no HD1:sc= -0.657 X(o=-0.66,f=-0.31) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.917 F(o=-2.2,f=-0.92) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -108:sc= 0.436 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.05 K(o=-1,f=-2.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -19:sc= 0.357 USER MOD Single : A 71 SER OG : rot 160:sc= -0.275 USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= -0.0487 (180deg=-0.413) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -3.39! C(o=-3.4!,f=-6.6!) USER MOD Single : A 85 SER OG : rot -35:sc= 0.275 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.592 13.357 -27.589 1.00 0.00 N ATOM 2 CA VAL A 4 14.161 14.213 -26.498 1.00 0.00 C ATOM 3 C VAL A 4 15.363 14.550 -25.614 1.00 0.00 C ATOM 4 O VAL A 4 16.373 13.849 -25.640 1.00 0.00 O ATOM 5 CB VAL A 4 13.021 13.544 -25.727 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.422 13.279 -24.275 1.00 0.00 C ATOM 7 CG2 VAL A 4 11.743 14.382 -25.799 1.00 0.00 C ATOM 0 HA VAL A 4 13.767 15.153 -26.883 1.00 0.00 H new ATOM 0 HB VAL A 4 12.817 12.583 -26.199 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.594 12.803 -23.750 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.292 12.622 -24.252 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.667 14.222 -23.787 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.949 13.883 -25.243 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.928 15.365 -25.366 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.441 14.496 -26.840 1.00 0.00 H new ATOM 17 N LYS A 5 15.214 15.623 -24.851 1.00 0.00 N ATOM 18 CA LYS A 5 16.275 16.062 -23.960 1.00 0.00 C ATOM 19 C LYS A 5 16.153 15.323 -22.626 1.00 0.00 C ATOM 20 O LYS A 5 15.049 15.137 -22.114 1.00 0.00 O ATOM 21 CB LYS A 5 16.264 17.585 -23.823 1.00 0.00 C ATOM 22 CG LYS A 5 17.615 18.181 -24.224 1.00 0.00 C ATOM 23 CD LYS A 5 17.546 19.709 -24.273 1.00 0.00 C ATOM 24 CE LYS A 5 18.554 20.335 -23.307 1.00 0.00 C ATOM 25 NZ LYS A 5 17.896 21.359 -22.463 1.00 0.00 N ATOM 0 H LYS A 5 14.374 16.202 -24.831 1.00 0.00 H new ATOM 0 HA LYS A 5 17.250 15.810 -24.376 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.477 18.004 -24.450 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.032 17.860 -22.794 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.380 17.870 -23.512 1.00 0.00 H new ATOM 0 HG3 LYS A 5 17.912 17.795 -25.199 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.747 20.053 -25.287 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.539 20.039 -24.018 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.991 19.561 -22.676 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.371 20.788 -23.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.594 21.774 -21.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.500 22.106 -23.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.131 20.917 -21.914 1.00 0.00 H new ATOM 39 N TYR A 6 17.301 14.921 -22.101 1.00 0.00 N ATOM 40 CA TYR A 6 17.336 14.207 -20.836 1.00 0.00 C ATOM 41 C TYR A 6 17.559 15.170 -19.668 1.00 0.00 C ATOM 42 O TYR A 6 18.695 15.529 -19.363 1.00 0.00 O ATOM 43 CB TYR A 6 18.526 13.249 -20.925 1.00 0.00 C ATOM 44 CG TYR A 6 18.263 12.009 -21.783 1.00 0.00 C ATOM 45 CD1 TYR A 6 17.055 11.350 -21.691 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.236 11.550 -22.647 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.808 10.183 -22.497 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.989 10.383 -23.455 1.00 0.00 C ATOM 49 CZ TYR A 6 17.787 9.757 -23.339 1.00 0.00 C ATOM 50 OH TYR A 6 17.554 8.655 -24.101 1.00 0.00 O ATOM 0 H TYR A 6 18.214 15.076 -22.529 1.00 0.00 H new ATOM 0 HA TYR A 6 16.393 13.688 -20.663 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.382 13.786 -21.333 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.800 12.931 -19.919 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.294 11.710 -21.014 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.182 12.065 -22.718 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.866 9.658 -22.434 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.741 10.014 -24.137 1.00 0.00 H new ATOM 0 HH TYR A 6 18.341 8.468 -24.655 1.00 0.00 H new ATOM 60 N TYR A 7 16.456 15.562 -19.047 1.00 0.00 N ATOM 61 CA TYR A 7 16.516 16.476 -17.920 1.00 0.00 C ATOM 62 C TYR A 7 16.255 15.742 -16.603 1.00 0.00 C ATOM 63 O TYR A 7 15.276 15.007 -16.481 1.00 0.00 O ATOM 64 CB TYR A 7 15.403 17.500 -18.148 1.00 0.00 C ATOM 65 CG TYR A 7 14.544 17.222 -19.383 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.549 16.266 -19.331 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.763 17.925 -20.550 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.741 16.004 -20.492 1.00 0.00 C ATOM 69 CE2 TYR A 7 13.955 17.663 -21.712 1.00 0.00 C ATOM 70 CZ TYR A 7 12.983 16.714 -21.626 1.00 0.00 C ATOM 71 OH TYR A 7 12.220 16.466 -22.723 1.00 0.00 O ATOM 0 H TYR A 7 15.515 15.263 -19.304 1.00 0.00 H new ATOM 0 HA TYR A 7 17.501 16.937 -17.852 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.760 17.524 -17.269 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.849 18.490 -18.244 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.377 15.715 -18.418 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.541 18.673 -20.592 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.959 15.259 -20.463 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.116 18.207 -22.631 1.00 0.00 H new ATOM 0 HH TYR A 7 11.555 17.178 -22.827 1.00 0.00 H new ATOM 81 N THR A 8 17.148 15.966 -15.651 1.00 0.00 N ATOM 82 CA THR A 8 17.027 15.334 -14.348 1.00 0.00 C ATOM 83 C THR A 8 16.010 16.084 -13.485 1.00 0.00 C ATOM 84 O THR A 8 15.738 17.261 -13.719 1.00 0.00 O ATOM 85 CB THR A 8 18.422 15.268 -13.723 1.00 0.00 C ATOM 86 OG1 THR A 8 18.764 16.631 -13.490 1.00 0.00 O ATOM 87 CG2 THR A 8 19.484 14.782 -14.711 1.00 0.00 C ATOM 0 H THR A 8 17.959 16.576 -15.756 1.00 0.00 H new ATOM 0 HA THR A 8 16.646 14.317 -14.435 1.00 0.00 H new ATOM 0 HB THR A 8 18.400 14.605 -12.858 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.655 16.680 -13.084 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.455 14.754 -14.217 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.226 13.782 -15.061 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.529 15.463 -15.561 1.00 0.00 H new ATOM 95 N LEU A 9 15.475 15.371 -12.504 1.00 0.00 N ATOM 96 CA LEU A 9 14.494 15.954 -11.604 1.00 0.00 C ATOM 97 C LEU A 9 14.869 17.411 -11.322 1.00 0.00 C ATOM 98 O LEU A 9 13.995 18.256 -11.138 1.00 0.00 O ATOM 99 CB LEU A 9 14.350 15.100 -10.343 1.00 0.00 C ATOM 100 CG LEU A 9 13.534 13.815 -10.493 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.851 13.116 -11.817 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.744 12.890 -9.293 1.00 0.00 C ATOM 0 H LEU A 9 15.702 14.395 -12.313 1.00 0.00 H new ATOM 0 HA LEU A 9 13.508 15.963 -12.069 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.347 14.835 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.890 15.710 -9.565 1.00 0.00 H new ATOM 0 HG LEU A 9 12.477 14.081 -10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.258 12.205 -11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.611 13.781 -12.646 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.911 12.863 -11.850 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.153 11.984 -9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.799 12.627 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.430 13.399 -8.382 1.00 0.00 H new ATOM 114 N GLU A 10 16.170 17.659 -11.297 1.00 0.00 N ATOM 115 CA GLU A 10 16.671 18.998 -11.040 1.00 0.00 C ATOM 116 C GLU A 10 15.876 20.026 -11.847 1.00 0.00 C ATOM 117 O GLU A 10 15.799 21.194 -11.467 1.00 0.00 O ATOM 118 CB GLU A 10 18.165 19.094 -11.353 1.00 0.00 C ATOM 119 CG GLU A 10 18.946 19.620 -10.146 1.00 0.00 C ATOM 120 CD GLU A 10 20.429 19.257 -10.251 1.00 0.00 C ATOM 121 OE1 GLU A 10 20.705 18.128 -10.710 1.00 0.00 O ATOM 122 OE2 GLU A 10 21.252 20.117 -9.869 1.00 0.00 O ATOM 0 H GLU A 10 16.892 16.955 -11.450 1.00 0.00 H new ATOM 0 HA GLU A 10 16.540 19.216 -9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.545 18.112 -11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.320 19.754 -12.206 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.837 20.703 -10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.530 19.202 -9.229 1.00 0.00 H new ATOM 129 N GLU A 11 15.304 19.555 -12.946 1.00 0.00 N ATOM 130 CA GLU A 11 14.517 20.419 -13.809 1.00 0.00 C ATOM 131 C GLU A 11 13.028 20.282 -13.483 1.00 0.00 C ATOM 132 O GLU A 11 12.361 21.271 -13.181 1.00 0.00 O ATOM 133 CB GLU A 11 14.786 20.113 -15.284 1.00 0.00 C ATOM 134 CG GLU A 11 16.288 20.014 -15.558 1.00 0.00 C ATOM 135 CD GLU A 11 17.039 21.187 -14.924 1.00 0.00 C ATOM 136 OE1 GLU A 11 16.661 22.337 -15.236 1.00 0.00 O ATOM 137 OE2 GLU A 11 17.975 20.907 -14.144 1.00 0.00 O ATOM 0 H GLU A 11 15.370 18.586 -13.258 1.00 0.00 H new ATOM 0 HA GLU A 11 14.815 21.451 -13.626 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.300 19.177 -15.560 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.350 20.894 -15.907 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.673 19.074 -15.162 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.465 20.003 -16.633 1.00 0.00 H new ATOM 144 N ILE A 12 12.551 19.049 -13.555 1.00 0.00 N ATOM 145 CA ILE A 12 11.153 18.768 -13.271 1.00 0.00 C ATOM 146 C ILE A 12 10.773 19.404 -11.932 1.00 0.00 C ATOM 147 O ILE A 12 9.677 19.945 -11.788 1.00 0.00 O ATOM 148 CB ILE A 12 10.884 17.264 -13.337 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.363 16.678 -14.667 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.408 16.959 -13.075 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.092 15.351 -14.450 1.00 0.00 C ATOM 0 H ILE A 12 13.107 18.232 -13.806 1.00 0.00 H new ATOM 0 HA ILE A 12 10.512 19.215 -14.031 1.00 0.00 H new ATOM 0 HB ILE A 12 11.458 16.780 -12.547 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.511 16.525 -15.329 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.028 17.386 -15.162 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.244 15.883 -13.128 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.132 17.320 -12.084 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.795 17.457 -13.826 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.422 14.956 -15.411 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.957 15.512 -13.807 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.417 14.638 -13.977 1.00 0.00 H new ATOM 163 N GLN A 13 11.698 19.318 -10.988 1.00 0.00 N ATOM 164 CA GLN A 13 11.472 19.878 -9.667 1.00 0.00 C ATOM 165 C GLN A 13 11.224 21.385 -9.763 1.00 0.00 C ATOM 166 O GLN A 13 10.355 21.920 -9.076 1.00 0.00 O ATOM 167 CB GLN A 13 12.647 19.575 -8.735 1.00 0.00 C ATOM 168 CG GLN A 13 12.695 18.087 -8.379 1.00 0.00 C ATOM 169 CD GLN A 13 11.325 17.590 -7.914 1.00 0.00 C ATOM 170 OE1 GLN A 13 10.760 16.653 -8.453 1.00 0.00 O ATOM 171 NE2 GLN A 13 10.824 18.268 -6.886 1.00 0.00 N ATOM 0 H GLN A 13 12.605 18.869 -11.112 1.00 0.00 H new ATOM 0 HA GLN A 13 10.583 19.410 -9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.581 19.868 -9.214 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.556 20.168 -7.825 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.019 17.512 -9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.432 17.921 -7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.350 19.043 -6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.914 18.013 -6.502 1.00 0.00 H new ATOM 180 N LYS A 14 12.002 22.026 -10.623 1.00 0.00 N ATOM 181 CA LYS A 14 11.878 23.460 -10.818 1.00 0.00 C ATOM 182 C LYS A 14 10.619 23.751 -11.636 1.00 0.00 C ATOM 183 O LYS A 14 10.280 24.911 -11.870 1.00 0.00 O ATOM 184 CB LYS A 14 13.157 24.030 -11.435 1.00 0.00 C ATOM 185 CG LYS A 14 13.932 24.867 -10.416 1.00 0.00 C ATOM 186 CD LYS A 14 13.434 26.313 -10.401 1.00 0.00 C ATOM 187 CE LYS A 14 14.318 27.189 -9.512 1.00 0.00 C ATOM 188 NZ LYS A 14 13.799 27.211 -8.126 1.00 0.00 N ATOM 0 H LYS A 14 12.720 21.578 -11.192 1.00 0.00 H new ATOM 0 HA LYS A 14 11.761 23.966 -9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.786 23.215 -11.795 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.905 24.644 -12.299 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.822 24.431 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.995 24.847 -10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.427 26.709 -11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.406 26.343 -10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.340 26.809 -9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.352 28.203 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.411 27.810 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.832 27.594 -8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.789 26.244 -7.744 1.00 0.00 H new ATOM 202 N HIS A 15 9.958 22.679 -12.048 1.00 0.00 N ATOM 203 CA HIS A 15 8.743 22.806 -12.835 1.00 0.00 C ATOM 204 C HIS A 15 7.539 22.378 -11.993 1.00 0.00 C ATOM 205 O HIS A 15 6.688 21.621 -12.460 1.00 0.00 O ATOM 206 CB HIS A 15 8.859 22.024 -14.145 1.00 0.00 C ATOM 207 CG HIS A 15 10.033 22.432 -15.002 1.00 0.00 C ATOM 208 ND1 HIS A 15 11.141 21.735 -15.388 1.00 0.00 N flip ATOM 209 CD2 HIS A 15 10.149 23.692 -15.562 1.00 0.00 C flip ATOM 210 CE1 HIS A 15 11.891 22.527 -16.144 1.00 0.00 C flip ATOM 211 NE2 HIS A 15 11.279 23.740 -16.253 1.00 0.00 N flip ATOM 0 H HIS A 15 10.241 21.719 -11.852 1.00 0.00 H new ATOM 0 HA HIS A 15 8.594 23.849 -13.115 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.942 20.962 -13.916 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.941 22.156 -14.718 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.439 24.499 -15.454 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.832 22.255 -16.598 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.629 24.544 -16.775 1.00 0.00 H new ATOM 219 N LYS A 16 7.507 22.878 -10.766 1.00 0.00 N ATOM 220 CA LYS A 16 6.422 22.557 -9.855 1.00 0.00 C ATOM 221 C LYS A 16 5.554 23.799 -9.643 1.00 0.00 C ATOM 222 O LYS A 16 5.253 24.163 -8.508 1.00 0.00 O ATOM 223 CB LYS A 16 6.972 21.962 -8.557 1.00 0.00 C ATOM 224 CG LYS A 16 5.837 21.598 -7.597 1.00 0.00 C ATOM 225 CD LYS A 16 6.313 20.605 -6.535 1.00 0.00 C ATOM 226 CE LYS A 16 5.208 20.317 -5.518 1.00 0.00 C ATOM 227 NZ LYS A 16 5.742 19.537 -4.380 1.00 0.00 N ATOM 0 H LYS A 16 8.215 23.503 -10.382 1.00 0.00 H new ATOM 0 HA LYS A 16 5.779 21.789 -10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.562 21.074 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.642 22.678 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.461 22.500 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.007 21.167 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.622 19.676 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.188 21.006 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.784 21.254 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.399 19.765 -5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.979 19.350 -3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.125 18.635 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.498 20.077 -3.913 1.00 0.00 H new ATOM 241 N ASP A 17 5.177 24.415 -10.754 1.00 0.00 N ATOM 242 CA ASP A 17 4.351 25.608 -10.704 1.00 0.00 C ATOM 243 C ASP A 17 3.393 25.610 -11.897 1.00 0.00 C ATOM 244 O ASP A 17 3.731 25.110 -12.970 1.00 0.00 O ATOM 245 CB ASP A 17 5.206 26.874 -10.781 1.00 0.00 C ATOM 246 CG ASP A 17 5.533 27.517 -9.433 1.00 0.00 C ATOM 247 OD1 ASP A 17 4.764 27.262 -8.481 1.00 0.00 O ATOM 248 OD2 ASP A 17 6.544 28.250 -9.384 1.00 0.00 O ATOM 0 H ASP A 17 5.429 24.110 -11.694 1.00 0.00 H new ATOM 0 HA ASP A 17 3.804 25.600 -9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.141 26.633 -11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.688 27.607 -11.400 1.00 0.00 H new ATOM 253 N SER A 18 2.218 26.179 -11.671 1.00 0.00 N ATOM 254 CA SER A 18 1.209 26.253 -12.715 1.00 0.00 C ATOM 255 C SER A 18 1.873 26.524 -14.066 1.00 0.00 C ATOM 256 O SER A 18 1.584 25.847 -15.051 1.00 0.00 O ATOM 257 CB SER A 18 0.175 27.336 -12.405 1.00 0.00 C ATOM 258 OG SER A 18 0.786 28.583 -12.088 1.00 0.00 O ATOM 0 H SER A 18 1.942 26.593 -10.781 1.00 0.00 H new ATOM 0 HA SER A 18 0.690 25.295 -12.758 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.485 27.463 -13.263 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.447 27.015 -11.570 1.00 0.00 H new ATOM 0 HG SER A 18 0.092 29.248 -11.898 1.00 0.00 H new ATOM 264 N LYS A 19 2.751 27.517 -14.069 1.00 0.00 N ATOM 265 CA LYS A 19 3.458 27.887 -15.284 1.00 0.00 C ATOM 266 C LYS A 19 4.010 26.626 -15.952 1.00 0.00 C ATOM 267 O LYS A 19 3.650 26.312 -17.085 1.00 0.00 O ATOM 268 CB LYS A 19 4.526 28.940 -14.982 1.00 0.00 C ATOM 269 CG LYS A 19 4.606 29.977 -16.104 1.00 0.00 C ATOM 270 CD LYS A 19 5.988 29.973 -16.758 1.00 0.00 C ATOM 271 CE LYS A 19 6.066 28.925 -17.870 1.00 0.00 C ATOM 272 NZ LYS A 19 7.422 28.895 -18.461 1.00 0.00 N ATOM 0 H LYS A 19 2.989 28.076 -13.250 1.00 0.00 H new ATOM 0 HA LYS A 19 2.776 28.352 -15.995 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.296 29.436 -14.039 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.495 28.456 -14.860 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.844 29.765 -16.854 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.392 30.968 -15.704 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.203 30.960 -17.168 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.750 29.767 -16.006 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.816 27.943 -17.470 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.331 29.151 -18.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.457 28.178 -19.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.647 29.828 -18.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.117 28.657 -17.724 1.00 0.00 H new ATOM 286 N SER A 20 4.875 25.937 -15.221 1.00 0.00 N ATOM 287 CA SER A 20 5.479 24.717 -15.728 1.00 0.00 C ATOM 288 C SER A 20 5.265 23.574 -14.734 1.00 0.00 C ATOM 289 O SER A 20 5.945 23.501 -13.711 1.00 0.00 O ATOM 290 CB SER A 20 6.972 24.914 -15.999 1.00 0.00 C ATOM 291 OG SER A 20 7.408 24.182 -17.141 1.00 0.00 O ATOM 0 H SER A 20 5.172 26.201 -14.281 1.00 0.00 H new ATOM 0 HA SER A 20 4.997 24.463 -16.672 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.177 25.974 -16.148 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.544 24.599 -15.126 1.00 0.00 H new ATOM 0 HG SER A 20 7.117 23.250 -17.063 1.00 0.00 H new ATOM 297 N THR A 21 4.318 22.711 -15.068 1.00 0.00 N ATOM 298 CA THR A 21 4.006 21.575 -14.217 1.00 0.00 C ATOM 299 C THR A 21 4.036 20.278 -15.028 1.00 0.00 C ATOM 300 O THR A 21 3.269 20.115 -15.975 1.00 0.00 O ATOM 301 CB THR A 21 2.657 21.842 -13.549 1.00 0.00 C ATOM 302 OG1 THR A 21 2.924 22.908 -12.639 1.00 0.00 O ATOM 303 CG2 THR A 21 2.211 20.688 -12.648 1.00 0.00 C ATOM 0 H THR A 21 3.756 22.775 -15.917 1.00 0.00 H new ATOM 0 HA THR A 21 4.754 21.450 -13.434 1.00 0.00 H new ATOM 0 HB THR A 21 1.902 22.018 -14.315 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.116 23.727 -13.142 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.248 20.929 -12.198 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.117 19.778 -13.241 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.950 20.534 -11.862 1.00 0.00 H new ATOM 311 N TRP A 22 4.930 19.387 -14.626 1.00 0.00 N ATOM 312 CA TRP A 22 5.070 18.109 -15.302 1.00 0.00 C ATOM 313 C TRP A 22 4.762 17.002 -14.291 1.00 0.00 C ATOM 314 O TRP A 22 4.444 17.282 -13.137 1.00 0.00 O ATOM 315 CB TRP A 22 6.457 17.972 -15.934 1.00 0.00 C ATOM 316 CG TRP A 22 6.907 19.205 -16.720 1.00 0.00 C ATOM 317 CD1 TRP A 22 6.142 20.168 -17.253 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.266 19.570 -17.042 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.906 21.123 -17.893 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.238 20.748 -17.761 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.477 18.927 -16.738 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.391 21.385 -18.233 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.622 19.576 -17.218 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.610 20.762 -17.942 1.00 0.00 C ATOM 0 H TRP A 22 5.565 19.525 -13.840 1.00 0.00 H new ATOM 0 HA TRP A 22 4.364 18.031 -16.129 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.185 17.769 -15.148 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.458 17.109 -16.600 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.064 20.193 -17.190 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.557 21.952 -18.374 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.522 18.005 -16.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.343 22.308 -18.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.580 19.123 -17.011 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.537 21.201 -18.279 1.00 0.00 H new ATOM 335 N VAL A 23 4.867 15.769 -14.762 1.00 0.00 N ATOM 336 CA VAL A 23 4.604 14.619 -13.914 1.00 0.00 C ATOM 337 C VAL A 23 5.259 13.378 -14.526 1.00 0.00 C ATOM 338 O VAL A 23 4.752 12.819 -15.497 1.00 0.00 O ATOM 339 CB VAL A 23 3.097 14.457 -13.705 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.570 15.482 -12.699 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.345 14.557 -15.034 1.00 0.00 C ATOM 0 H VAL A 23 5.131 15.541 -15.720 1.00 0.00 H new ATOM 0 HA VAL A 23 5.042 14.765 -12.927 1.00 0.00 H new ATOM 0 HB VAL A 23 2.921 13.463 -13.294 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.497 15.345 -12.569 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.072 15.344 -11.742 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.765 16.489 -13.069 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.276 14.438 -14.857 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.532 15.531 -15.486 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.690 13.773 -15.707 1.00 0.00 H new ATOM 351 N ILE A 24 6.376 12.984 -13.931 1.00 0.00 N ATOM 352 CA ILE A 24 7.105 11.821 -14.406 1.00 0.00 C ATOM 353 C ILE A 24 6.242 10.572 -14.219 1.00 0.00 C ATOM 354 O ILE A 24 6.071 10.094 -13.098 1.00 0.00 O ATOM 355 CB ILE A 24 8.472 11.731 -13.724 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.240 10.496 -14.196 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.329 11.770 -12.202 1.00 0.00 C ATOM 358 CD1 ILE A 24 10.286 10.868 -15.249 1.00 0.00 C ATOM 0 H ILE A 24 6.793 13.449 -13.125 1.00 0.00 H new ATOM 0 HA ILE A 24 7.311 11.910 -15.473 1.00 0.00 H new ATOM 0 HB ILE A 24 9.057 12.604 -14.015 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.729 10.021 -13.346 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.544 9.768 -14.612 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.315 11.704 -11.742 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.852 12.704 -11.905 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.718 10.929 -11.872 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.817 9.971 -15.567 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.792 11.321 -16.109 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.995 11.578 -14.823 1.00 0.00 H new ATOM 370 N LEU A 25 5.720 10.079 -15.333 1.00 0.00 N ATOM 371 CA LEU A 25 4.879 8.894 -15.306 1.00 0.00 C ATOM 372 C LEU A 25 5.406 7.877 -16.319 1.00 0.00 C ATOM 373 O LEU A 25 5.557 8.192 -17.498 1.00 0.00 O ATOM 374 CB LEU A 25 3.412 9.275 -15.520 1.00 0.00 C ATOM 375 CG LEU A 25 3.046 9.768 -16.922 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.776 8.593 -17.863 1.00 0.00 C ATOM 377 CD2 LEU A 25 1.868 10.744 -16.868 1.00 0.00 C ATOM 0 H LEU A 25 5.863 10.479 -16.260 1.00 0.00 H new ATOM 0 HA LEU A 25 4.921 8.418 -14.326 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.794 8.407 -15.288 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.151 10.053 -14.803 1.00 0.00 H new ATOM 0 HG LEU A 25 3.898 10.314 -17.327 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.518 8.971 -18.852 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.668 7.971 -17.933 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.949 7.999 -17.475 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.627 11.080 -17.877 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.001 10.244 -16.435 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.136 11.604 -16.254 1.00 0.00 H new ATOM 389 N HIS A 26 5.670 6.678 -15.822 1.00 0.00 N ATOM 390 CA HIS A 26 6.176 5.611 -16.670 1.00 0.00 C ATOM 391 C HIS A 26 7.590 5.958 -17.142 1.00 0.00 C ATOM 392 O HIS A 26 7.973 5.629 -18.263 1.00 0.00 O ATOM 393 CB HIS A 26 5.216 5.336 -17.829 1.00 0.00 C ATOM 394 CG HIS A 26 4.746 3.903 -17.910 1.00 0.00 C ATOM 395 ND1 HIS A 26 4.075 3.395 -19.008 1.00 0.00 N ATOM 396 CD2 HIS A 26 4.858 2.876 -17.019 1.00 0.00 C ATOM 397 CE1 HIS A 26 3.799 2.120 -18.777 1.00 0.00 C ATOM 398 NE2 HIS A 26 4.285 1.801 -17.544 1.00 0.00 N ATOM 0 H HIS A 26 5.543 6.421 -14.843 1.00 0.00 H new ATOM 0 HA HIS A 26 6.237 4.685 -16.098 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.348 5.987 -17.731 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.708 5.600 -18.765 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.333 2.929 -16.050 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.280 1.451 -19.448 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.219 0.886 -17.098 1.00 0.00 H new ATOM 406 N HIS A 27 8.328 6.619 -16.261 1.00 0.00 N ATOM 407 CA HIS A 27 9.691 7.014 -16.573 1.00 0.00 C ATOM 408 C HIS A 27 9.675 8.121 -17.628 1.00 0.00 C ATOM 409 O HIS A 27 10.726 8.523 -18.126 1.00 0.00 O ATOM 410 CB HIS A 27 10.523 5.803 -16.996 1.00 0.00 C ATOM 411 CG HIS A 27 10.286 4.569 -16.158 1.00 0.00 C ATOM 412 ND1 HIS A 27 9.268 3.661 -16.177 1.00 0.00 N flip ATOM 413 CD2 HIS A 27 11.155 4.161 -15.163 1.00 0.00 C flip ATOM 414 CE1 HIS A 27 9.505 2.747 -15.244 1.00 0.00 C flip ATOM 415 NE2 HIS A 27 10.674 3.056 -14.614 1.00 0.00 N flip ATOM 0 H HIS A 27 8.007 6.891 -15.332 1.00 0.00 H new ATOM 0 HA HIS A 27 10.171 7.417 -15.681 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.302 5.570 -18.038 1.00 0.00 H new ATOM 0 HB3 HIS A 27 11.580 6.066 -16.946 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.071 4.659 -14.881 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.875 1.898 -15.021 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.103 2.529 -13.853 1.00 0.00 H new ATOM 423 N LYS A 28 8.473 8.583 -17.937 1.00 0.00 N ATOM 424 CA LYS A 28 8.307 9.637 -18.924 1.00 0.00 C ATOM 425 C LYS A 28 7.597 10.828 -18.277 1.00 0.00 C ATOM 426 O LYS A 28 6.551 10.667 -17.650 1.00 0.00 O ATOM 427 CB LYS A 28 7.596 9.099 -20.167 1.00 0.00 C ATOM 428 CG LYS A 28 8.504 8.145 -20.948 1.00 0.00 C ATOM 429 CD LYS A 28 7.681 7.089 -21.688 1.00 0.00 C ATOM 430 CE LYS A 28 8.383 5.730 -21.663 1.00 0.00 C ATOM 431 NZ LYS A 28 8.078 4.966 -22.893 1.00 0.00 N ATOM 0 H LYS A 28 7.604 8.247 -17.522 1.00 0.00 H new ATOM 0 HA LYS A 28 9.278 9.993 -19.269 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.684 8.580 -19.873 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.298 9.929 -20.808 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.103 8.710 -21.662 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.199 7.657 -20.264 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.697 7.002 -21.228 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.524 7.402 -22.720 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.460 5.872 -21.574 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.063 5.165 -20.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.562 4.046 -22.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.051 4.814 -22.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.406 5.500 -23.723 1.00 0.00 H new ATOM 445 N VAL A 29 8.194 11.998 -18.451 1.00 0.00 N ATOM 446 CA VAL A 29 7.633 13.216 -17.892 1.00 0.00 C ATOM 447 C VAL A 29 6.776 13.911 -18.953 1.00 0.00 C ATOM 448 O VAL A 29 7.225 14.121 -20.079 1.00 0.00 O ATOM 449 CB VAL A 29 8.751 14.108 -17.350 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.729 14.496 -18.460 1.00 0.00 C ATOM 451 CG2 VAL A 29 8.179 15.349 -16.664 1.00 0.00 C ATOM 0 H VAL A 29 9.061 12.128 -18.972 1.00 0.00 H new ATOM 0 HA VAL A 29 6.983 12.984 -17.048 1.00 0.00 H new ATOM 0 HB VAL A 29 9.302 13.537 -16.603 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.514 15.130 -18.048 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.175 13.596 -18.883 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.196 15.039 -19.241 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.995 15.966 -16.288 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.591 15.923 -17.381 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.542 15.045 -15.834 1.00 0.00 H new ATOM 461 N TYR A 30 5.557 14.247 -18.556 1.00 0.00 N ATOM 462 CA TYR A 30 4.634 14.914 -19.459 1.00 0.00 C ATOM 463 C TYR A 30 4.263 16.303 -18.936 1.00 0.00 C ATOM 464 O TYR A 30 3.838 16.446 -17.790 1.00 0.00 O ATOM 465 CB TYR A 30 3.377 14.042 -19.495 1.00 0.00 C ATOM 466 CG TYR A 30 3.624 12.615 -19.988 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.386 11.747 -19.235 1.00 0.00 C ATOM 468 CD2 TYR A 30 3.082 12.197 -21.186 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.618 10.404 -19.699 1.00 0.00 C ATOM 470 CE2 TYR A 30 3.313 10.853 -21.651 1.00 0.00 C ATOM 471 CZ TYR A 30 4.070 10.023 -20.884 1.00 0.00 C ATOM 472 OH TYR A 30 4.288 8.755 -21.323 1.00 0.00 O ATOM 0 H TYR A 30 5.187 14.070 -17.622 1.00 0.00 H new ATOM 0 HA TYR A 30 5.083 15.041 -20.444 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.947 14.000 -18.494 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.637 14.515 -20.140 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.809 12.075 -18.297 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.485 12.877 -21.775 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.214 9.715 -19.119 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.895 10.512 -22.587 1.00 0.00 H new ATOM 0 HH TYR A 30 3.835 8.624 -22.182 1.00 0.00 H new ATOM 482 N ASP A 31 4.437 17.293 -19.800 1.00 0.00 N ATOM 483 CA ASP A 31 4.126 18.664 -19.440 1.00 0.00 C ATOM 484 C ASP A 31 2.617 18.889 -19.558 1.00 0.00 C ATOM 485 O ASP A 31 2.117 19.216 -20.633 1.00 0.00 O ATOM 486 CB ASP A 31 4.826 19.652 -20.375 1.00 0.00 C ATOM 487 CG ASP A 31 4.348 21.101 -20.260 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.535 21.674 -19.164 1.00 0.00 O ATOM 489 OD2 ASP A 31 3.809 21.604 -21.269 1.00 0.00 O ATOM 0 H ASP A 31 4.790 17.171 -20.749 1.00 0.00 H new ATOM 0 HA ASP A 31 4.469 18.830 -18.419 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.897 19.622 -20.175 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.684 19.319 -21.403 1.00 0.00 H new ATOM 494 N LEU A 32 1.934 18.703 -18.438 1.00 0.00 N ATOM 495 CA LEU A 32 0.492 18.880 -18.403 1.00 0.00 C ATOM 496 C LEU A 32 0.170 20.322 -18.004 1.00 0.00 C ATOM 497 O LEU A 32 -0.924 20.605 -17.516 1.00 0.00 O ATOM 498 CB LEU A 32 -0.155 17.832 -17.496 1.00 0.00 C ATOM 499 CG LEU A 32 0.537 16.468 -17.448 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.352 15.426 -16.765 1.00 0.00 C ATOM 501 CD2 LEU A 32 0.971 16.023 -18.845 1.00 0.00 C ATOM 0 H LEU A 32 2.352 18.432 -17.548 1.00 0.00 H new ATOM 0 HA LEU A 32 0.064 18.719 -19.392 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.196 18.232 -16.483 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.184 17.684 -17.822 1.00 0.00 H new ATOM 0 HG LEU A 32 1.441 16.565 -16.846 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.163 14.466 -16.744 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.568 15.744 -15.745 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.285 15.325 -17.319 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.460 15.051 -18.782 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.096 15.948 -19.491 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.667 16.753 -19.260 1.00 0.00 H new ATOM 513 N THR A 33 1.142 21.194 -18.223 1.00 0.00 N ATOM 514 CA THR A 33 0.975 22.599 -17.893 1.00 0.00 C ATOM 515 C THR A 33 0.137 23.303 -18.961 1.00 0.00 C ATOM 516 O THR A 33 -0.450 24.353 -18.703 1.00 0.00 O ATOM 517 CB THR A 33 2.367 23.210 -17.711 1.00 0.00 C ATOM 518 OG1 THR A 33 2.256 23.976 -16.514 1.00 0.00 O ATOM 519 CG2 THR A 33 2.696 24.247 -18.787 1.00 0.00 C ATOM 0 H THR A 33 2.048 20.955 -18.625 1.00 0.00 H new ATOM 0 HA THR A 33 0.425 22.723 -16.960 1.00 0.00 H new ATOM 0 HB THR A 33 3.116 22.418 -17.728 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.260 24.931 -16.735 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.694 24.649 -18.612 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.662 23.775 -19.769 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.967 25.056 -18.748 1.00 0.00 H new ATOM 527 N LYS A 34 0.108 22.697 -20.139 1.00 0.00 N ATOM 528 CA LYS A 34 -0.648 23.253 -21.249 1.00 0.00 C ATOM 529 C LYS A 34 -2.071 22.692 -21.222 1.00 0.00 C ATOM 530 O LYS A 34 -3.040 23.449 -21.212 1.00 0.00 O ATOM 531 CB LYS A 34 0.083 23.010 -22.570 1.00 0.00 C ATOM 532 CG LYS A 34 -0.765 23.468 -23.758 1.00 0.00 C ATOM 533 CD LYS A 34 0.022 24.424 -24.658 1.00 0.00 C ATOM 534 CE LYS A 34 -0.879 25.539 -25.194 1.00 0.00 C ATOM 535 NZ LYS A 34 -1.091 26.576 -24.160 1.00 0.00 N ATOM 0 H LYS A 34 0.596 21.826 -20.349 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.729 24.336 -21.151 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.032 23.546 -22.568 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.315 21.950 -22.672 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.087 22.601 -24.335 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.667 23.963 -23.397 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.850 24.858 -24.097 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.456 23.871 -25.491 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.426 25.987 -26.079 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.838 25.123 -25.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.704 27.325 -24.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.543 26.148 -23.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.175 26.985 -23.885 1.00 0.00 H new ATOM 549 N PHE A 35 -2.152 21.369 -21.210 1.00 0.00 N ATOM 550 CA PHE A 35 -3.441 20.698 -21.184 1.00 0.00 C ATOM 551 C PHE A 35 -3.999 20.639 -19.761 1.00 0.00 C ATOM 552 O PHE A 35 -4.989 19.955 -19.506 1.00 0.00 O ATOM 553 CB PHE A 35 -3.212 19.273 -21.689 1.00 0.00 C ATOM 554 CG PHE A 35 -3.790 18.189 -20.777 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.059 17.722 -19.729 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.034 17.693 -21.013 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.595 16.715 -18.883 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.571 16.688 -20.166 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.840 16.220 -19.118 1.00 0.00 C ATOM 0 H PHE A 35 -1.346 20.744 -21.218 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.156 21.239 -21.803 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.655 19.174 -22.680 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.141 19.106 -21.801 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.072 18.117 -19.540 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.614 18.064 -21.845 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.014 16.342 -18.053 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.559 16.295 -20.353 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.248 15.456 -18.473 1.00 0.00 H new ATOM 569 N LEU A 36 -3.341 21.366 -18.869 1.00 0.00 N ATOM 570 CA LEU A 36 -3.759 21.405 -17.478 1.00 0.00 C ATOM 571 C LEU A 36 -5.226 21.834 -17.404 1.00 0.00 C ATOM 572 O LEU A 36 -6.020 21.221 -16.691 1.00 0.00 O ATOM 573 CB LEU A 36 -2.817 22.289 -16.660 1.00 0.00 C ATOM 574 CG LEU A 36 -2.369 21.724 -15.311 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.896 22.040 -15.045 1.00 0.00 C ATOM 576 CD2 LEU A 36 -3.275 22.220 -14.181 1.00 0.00 C ATOM 0 H LEU A 36 -2.521 21.933 -19.083 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.693 20.413 -17.032 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.929 22.492 -17.259 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.309 23.246 -16.485 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.463 20.639 -15.347 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.604 21.627 -14.080 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.282 21.598 -15.830 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.752 23.120 -15.036 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.935 21.804 -13.233 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.236 23.308 -14.134 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.300 21.902 -14.370 1.00 0.00 H new ATOM 588 N GLU A 37 -5.541 22.883 -18.148 1.00 0.00 N ATOM 589 CA GLU A 37 -6.899 23.401 -18.175 1.00 0.00 C ATOM 590 C GLU A 37 -7.811 22.458 -18.962 1.00 0.00 C ATOM 591 O GLU A 37 -9.023 22.445 -18.754 1.00 0.00 O ATOM 592 CB GLU A 37 -6.934 24.814 -18.760 1.00 0.00 C ATOM 593 CG GLU A 37 -8.038 25.649 -18.108 1.00 0.00 C ATOM 594 CD GLU A 37 -8.911 26.326 -19.168 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.877 25.669 -19.612 1.00 0.00 O ATOM 596 OE2 GLU A 37 -8.592 27.486 -19.509 1.00 0.00 O ATOM 0 H GLU A 37 -4.880 23.389 -18.737 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.267 23.458 -17.150 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.969 25.298 -18.609 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.099 24.762 -19.836 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.656 25.011 -17.476 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.593 26.405 -17.461 1.00 0.00 H new ATOM 603 N GLU A 38 -7.193 21.692 -19.849 1.00 0.00 N ATOM 604 CA GLU A 38 -7.935 20.747 -20.667 1.00 0.00 C ATOM 605 C GLU A 38 -8.161 19.443 -19.901 1.00 0.00 C ATOM 606 O GLU A 38 -8.788 18.518 -20.415 1.00 0.00 O ATOM 607 CB GLU A 38 -7.215 20.487 -21.992 1.00 0.00 C ATOM 608 CG GLU A 38 -7.796 21.354 -23.112 1.00 0.00 C ATOM 609 CD GLU A 38 -8.462 20.490 -24.184 1.00 0.00 C ATOM 610 OE1 GLU A 38 -7.890 19.421 -24.488 1.00 0.00 O ATOM 611 OE2 GLU A 38 -9.529 20.917 -24.675 1.00 0.00 O ATOM 0 H GLU A 38 -6.187 21.706 -20.019 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.907 21.182 -20.898 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.151 20.697 -21.879 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.305 19.434 -22.258 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.524 22.051 -22.697 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.004 21.952 -23.562 1.00 0.00 H new ATOM 618 N HIS A 39 -7.639 19.411 -18.684 1.00 0.00 N ATOM 619 CA HIS A 39 -7.776 18.235 -17.841 1.00 0.00 C ATOM 620 C HIS A 39 -8.981 18.407 -16.914 1.00 0.00 C ATOM 621 O HIS A 39 -9.098 19.418 -16.223 1.00 0.00 O ATOM 622 CB HIS A 39 -6.477 17.957 -17.081 1.00 0.00 C ATOM 623 CG HIS A 39 -6.489 16.665 -16.300 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.204 16.605 -14.947 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.752 15.387 -16.695 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.296 15.343 -14.556 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.635 14.589 -15.640 1.00 0.00 N ATOM 0 H HIS A 39 -7.120 20.181 -18.261 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.960 17.357 -18.461 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.650 17.933 -17.791 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.285 18.783 -16.396 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.012 15.076 -17.696 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.131 14.976 -13.554 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.776 13.579 -15.641 1.00 0.00 H new ATOM 635 N PRO A 40 -9.867 17.376 -16.927 1.00 0.00 N ATOM 636 CA PRO A 40 -11.059 17.403 -16.095 1.00 0.00 C ATOM 637 C PRO A 40 -10.711 17.130 -14.631 1.00 0.00 C ATOM 638 O PRO A 40 -11.578 17.194 -13.760 1.00 0.00 O ATOM 639 CB PRO A 40 -11.980 16.352 -16.693 1.00 0.00 C ATOM 640 CG PRO A 40 -11.093 15.456 -17.544 1.00 0.00 C ATOM 641 CD PRO A 40 -9.760 16.163 -17.731 1.00 0.00 C ATOM 0 HA PRO A 40 -11.544 18.379 -16.086 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.478 15.779 -15.911 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.761 16.815 -17.296 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.948 14.490 -17.059 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.561 15.261 -18.509 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.931 15.539 -17.398 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.580 16.398 -18.780 1.00 0.00 H new ATOM 649 N GLY A 41 -9.441 16.830 -14.403 1.00 0.00 N ATOM 650 CA GLY A 41 -8.969 16.546 -13.059 1.00 0.00 C ATOM 651 C GLY A 41 -9.025 17.800 -12.182 1.00 0.00 C ATOM 652 O GLY A 41 -9.966 17.978 -11.410 1.00 0.00 O ATOM 0 H GLY A 41 -8.724 16.777 -15.127 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.578 15.759 -12.614 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.946 16.172 -13.100 1.00 0.00 H new ATOM 656 N GLY A 42 -8.006 18.633 -12.330 1.00 0.00 N ATOM 657 CA GLY A 42 -7.928 19.863 -11.562 1.00 0.00 C ATOM 658 C GLY A 42 -6.742 20.718 -12.013 1.00 0.00 C ATOM 659 O GLY A 42 -6.186 20.496 -13.088 1.00 0.00 O ATOM 0 H GLY A 42 -7.227 18.480 -12.971 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.853 20.428 -11.679 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.829 19.628 -10.502 1.00 0.00 H new ATOM 663 N GLU A 43 -6.389 21.676 -11.169 1.00 0.00 N ATOM 664 CA GLU A 43 -5.278 22.564 -11.468 1.00 0.00 C ATOM 665 C GLU A 43 -4.212 22.467 -10.375 1.00 0.00 C ATOM 666 O GLU A 43 -3.082 22.916 -10.564 1.00 0.00 O ATOM 667 CB GLU A 43 -5.760 24.007 -11.635 1.00 0.00 C ATOM 668 CG GLU A 43 -4.616 24.997 -11.406 1.00 0.00 C ATOM 669 CD GLU A 43 -5.118 26.441 -11.480 1.00 0.00 C ATOM 670 OE1 GLU A 43 -5.762 26.765 -12.501 1.00 0.00 O ATOM 671 OE2 GLU A 43 -4.847 27.187 -10.514 1.00 0.00 O ATOM 0 H GLU A 43 -6.852 21.857 -10.278 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.833 22.251 -12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.169 24.144 -12.636 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.567 24.209 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.162 24.815 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.839 24.840 -12.154 1.00 0.00 H new ATOM 678 N GLU A 44 -4.608 21.877 -9.257 1.00 0.00 N ATOM 679 CA GLU A 44 -3.699 21.714 -8.134 1.00 0.00 C ATOM 680 C GLU A 44 -3.393 20.232 -7.910 1.00 0.00 C ATOM 681 O GLU A 44 -2.396 19.890 -7.276 1.00 0.00 O ATOM 682 CB GLU A 44 -4.273 22.354 -6.868 1.00 0.00 C ATOM 683 CG GLU A 44 -5.590 21.688 -6.466 1.00 0.00 C ATOM 684 CD GLU A 44 -6.763 22.661 -6.606 1.00 0.00 C ATOM 685 OE1 GLU A 44 -7.270 22.779 -7.742 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.125 23.266 -5.574 1.00 0.00 O ATOM 0 H GLU A 44 -5.546 21.506 -9.104 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.766 22.225 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.554 22.266 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.436 23.419 -7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.764 20.812 -7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.525 21.338 -5.436 1.00 0.00 H new ATOM 693 N VAL A 45 -4.271 19.393 -8.440 1.00 0.00 N ATOM 694 CA VAL A 45 -4.107 17.955 -8.305 1.00 0.00 C ATOM 695 C VAL A 45 -2.923 17.499 -9.161 1.00 0.00 C ATOM 696 O VAL A 45 -2.076 16.737 -8.697 1.00 0.00 O ATOM 697 CB VAL A 45 -5.413 17.244 -8.663 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.249 18.086 -9.629 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.140 15.854 -9.242 1.00 0.00 C ATOM 0 H VAL A 45 -5.098 19.681 -8.963 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.882 17.691 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.988 17.118 -7.746 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.172 17.557 -9.867 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.488 19.043 -9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.683 18.259 -10.544 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.085 15.370 -9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.535 15.948 -10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.605 15.252 -8.507 1.00 0.00 H new ATOM 709 N LEU A 46 -2.903 17.985 -10.393 1.00 0.00 N ATOM 710 CA LEU A 46 -1.838 17.635 -11.317 1.00 0.00 C ATOM 711 C LEU A 46 -0.491 18.032 -10.709 1.00 0.00 C ATOM 712 O LEU A 46 0.381 17.187 -10.518 1.00 0.00 O ATOM 713 CB LEU A 46 -2.097 18.254 -12.693 1.00 0.00 C ATOM 714 CG LEU A 46 -3.559 18.296 -13.144 1.00 0.00 C ATOM 715 CD1 LEU A 46 -3.668 18.717 -14.611 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.253 16.959 -12.879 1.00 0.00 C ATOM 0 H LEU A 46 -3.607 18.618 -10.773 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.812 16.557 -11.477 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.709 19.272 -12.690 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.524 17.696 -13.434 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.077 19.051 -12.553 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.717 18.739 -14.906 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.235 19.709 -14.738 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.130 18.003 -15.235 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.290 17.016 -13.209 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.741 16.168 -13.427 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.223 16.739 -11.812 1.00 0.00 H new ATOM 728 N ARG A 47 -0.364 19.320 -10.422 1.00 0.00 N ATOM 729 CA ARG A 47 0.862 19.839 -9.839 1.00 0.00 C ATOM 730 C ARG A 47 1.118 19.192 -8.476 1.00 0.00 C ATOM 731 O ARG A 47 2.265 19.065 -8.051 1.00 0.00 O ATOM 732 CB ARG A 47 0.791 21.358 -9.670 1.00 0.00 C ATOM 733 CG ARG A 47 -0.603 21.794 -9.217 1.00 0.00 C ATOM 734 CD ARG A 47 -0.548 23.141 -8.492 1.00 0.00 C ATOM 735 NE ARG A 47 -0.741 22.943 -7.039 1.00 0.00 N ATOM 736 CZ ARG A 47 -0.438 23.859 -6.109 1.00 0.00 C ATOM 737 NH1 ARG A 47 0.073 25.043 -6.476 1.00 0.00 N ATOM 738 NH2 ARG A 47 -0.646 23.592 -4.813 1.00 0.00 N ATOM 0 H ARG A 47 -1.089 20.019 -10.582 1.00 0.00 H new ATOM 0 HA ARG A 47 1.680 19.598 -10.518 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.532 21.681 -8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.040 21.845 -10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.263 21.869 -10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.027 21.038 -8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.412 23.624 -8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.319 23.805 -8.882 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.129 22.053 -6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.231 25.246 -7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.304 25.740 -5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.035 22.691 -4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.415 24.289 -4.105 1.00 0.00 H new ATOM 752 N GLU A 48 0.030 18.800 -7.830 1.00 0.00 N ATOM 753 CA GLU A 48 0.122 18.170 -6.524 1.00 0.00 C ATOM 754 C GLU A 48 1.209 17.093 -6.529 1.00 0.00 C ATOM 755 O GLU A 48 1.803 16.801 -5.494 1.00 0.00 O ATOM 756 CB GLU A 48 -1.227 17.584 -6.102 1.00 0.00 C ATOM 757 CG GLU A 48 -1.653 18.119 -4.733 1.00 0.00 C ATOM 758 CD GLU A 48 -1.814 19.641 -4.765 1.00 0.00 C ATOM 759 OE1 GLU A 48 -0.780 20.325 -4.607 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.969 20.085 -4.947 1.00 0.00 O ATOM 0 H GLU A 48 -0.920 18.906 -8.186 1.00 0.00 H new ATOM 0 HA GLU A 48 0.396 18.932 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.984 17.833 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.160 16.497 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.594 17.656 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.911 17.844 -3.984 1.00 0.00 H new ATOM 767 N GLN A 49 1.435 16.532 -7.709 1.00 0.00 N ATOM 768 CA GLN A 49 2.439 15.494 -7.863 1.00 0.00 C ATOM 769 C GLN A 49 3.466 15.902 -8.922 1.00 0.00 C ATOM 770 O GLN A 49 4.135 15.049 -9.505 1.00 0.00 O ATOM 771 CB GLN A 49 1.794 14.153 -8.215 1.00 0.00 C ATOM 772 CG GLN A 49 0.952 13.627 -7.049 1.00 0.00 C ATOM 773 CD GLN A 49 1.763 13.610 -5.752 1.00 0.00 C ATOM 774 OE1 GLN A 49 2.979 13.499 -5.751 1.00 0.00 O ATOM 775 NE2 GLN A 49 1.027 13.728 -4.651 1.00 0.00 N ATOM 0 H GLN A 49 0.940 16.777 -8.566 1.00 0.00 H new ATOM 0 HA GLN A 49 2.955 15.372 -6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.166 14.268 -9.099 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.568 13.428 -8.466 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.069 14.253 -6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.599 12.621 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.013 13.817 -4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.476 13.729 -3.735 1.00 0.00 H new ATOM 784 N ALA A 50 3.558 17.205 -9.139 1.00 0.00 N ATOM 785 CA ALA A 50 4.492 17.737 -10.117 1.00 0.00 C ATOM 786 C ALA A 50 5.888 17.810 -9.497 1.00 0.00 C ATOM 787 O ALA A 50 6.481 18.886 -9.417 1.00 0.00 O ATOM 788 CB ALA A 50 3.999 19.100 -10.606 1.00 0.00 C ATOM 0 H ALA A 50 3.001 17.909 -8.654 1.00 0.00 H new ATOM 0 HA ALA A 50 4.552 17.081 -10.986 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.700 19.499 -11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.017 18.988 -11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.928 19.786 -9.762 1.00 0.00 H new ATOM 794 N GLY A 51 6.375 16.653 -9.074 1.00 0.00 N ATOM 795 CA GLY A 51 7.690 16.572 -8.463 1.00 0.00 C ATOM 796 C GLY A 51 8.125 15.116 -8.287 1.00 0.00 C ATOM 797 O GLY A 51 9.303 14.794 -8.434 1.00 0.00 O ATOM 0 H GLY A 51 5.882 15.763 -9.143 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.416 17.100 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.676 17.071 -7.494 1.00 0.00 H new ATOM 801 N GLY A 52 7.151 14.275 -7.975 1.00 0.00 N ATOM 802 CA GLY A 52 7.417 12.859 -7.778 1.00 0.00 C ATOM 803 C GLY A 52 6.846 12.028 -8.928 1.00 0.00 C ATOM 804 O GLY A 52 7.034 12.364 -10.096 1.00 0.00 O ATOM 0 H GLY A 52 6.175 14.546 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.492 12.694 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.979 12.531 -6.835 1.00 0.00 H new ATOM 808 N ASP A 53 6.157 10.958 -8.558 1.00 0.00 N ATOM 809 CA ASP A 53 5.556 10.076 -9.543 1.00 0.00 C ATOM 810 C ASP A 53 4.034 10.228 -9.496 1.00 0.00 C ATOM 811 O ASP A 53 3.409 9.941 -8.478 1.00 0.00 O ATOM 812 CB ASP A 53 5.894 8.613 -9.251 1.00 0.00 C ATOM 813 CG ASP A 53 5.438 8.105 -7.882 1.00 0.00 C ATOM 814 OD1 ASP A 53 5.114 8.965 -7.036 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.422 6.866 -7.712 1.00 0.00 O ATOM 0 H ASP A 53 6.002 10.682 -7.588 1.00 0.00 H new ATOM 0 HA ASP A 53 5.948 10.348 -10.523 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.441 7.990 -10.022 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.973 8.483 -9.329 1.00 0.00 H new ATOM 820 N ALA A 54 3.483 10.680 -10.614 1.00 0.00 N ATOM 821 CA ALA A 54 2.046 10.874 -10.713 1.00 0.00 C ATOM 822 C ALA A 54 1.397 9.588 -11.228 1.00 0.00 C ATOM 823 O ALA A 54 0.201 9.373 -11.040 1.00 0.00 O ATOM 824 CB ALA A 54 1.755 12.076 -11.614 1.00 0.00 C ATOM 0 H ALA A 54 4.005 10.917 -11.458 1.00 0.00 H new ATOM 0 HA ALA A 54 1.619 11.089 -9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.677 12.222 -11.689 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.214 12.969 -11.189 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.166 11.894 -12.607 1.00 0.00 H new ATOM 830 N THR A 55 2.215 8.765 -11.867 1.00 0.00 N ATOM 831 CA THR A 55 1.735 7.505 -12.411 1.00 0.00 C ATOM 832 C THR A 55 0.939 6.737 -11.355 1.00 0.00 C ATOM 833 O THR A 55 0.056 5.949 -11.689 1.00 0.00 O ATOM 834 CB THR A 55 2.942 6.731 -12.946 1.00 0.00 C ATOM 835 OG1 THR A 55 2.486 5.383 -13.014 1.00 0.00 O ATOM 836 CG2 THR A 55 4.097 6.684 -11.944 1.00 0.00 C ATOM 0 H THR A 55 3.207 8.946 -12.021 1.00 0.00 H new ATOM 0 HA THR A 55 1.043 7.668 -13.238 1.00 0.00 H new ATOM 0 HB THR A 55 3.285 7.188 -13.874 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.206 4.811 -13.353 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.928 6.124 -12.373 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.423 7.699 -11.717 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.764 6.196 -11.028 1.00 0.00 H new ATOM 844 N GLU A 56 1.280 6.994 -10.100 1.00 0.00 N ATOM 845 CA GLU A 56 0.608 6.337 -8.993 1.00 0.00 C ATOM 846 C GLU A 56 -0.800 6.905 -8.813 1.00 0.00 C ATOM 847 O GLU A 56 -1.753 6.158 -8.602 1.00 0.00 O ATOM 848 CB GLU A 56 1.421 6.468 -7.703 1.00 0.00 C ATOM 849 CG GLU A 56 2.032 7.865 -7.579 1.00 0.00 C ATOM 850 CD GLU A 56 1.983 8.360 -6.132 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.048 7.936 -5.419 1.00 0.00 O ATOM 852 OE2 GLU A 56 2.883 9.148 -5.771 1.00 0.00 O ATOM 0 H GLU A 56 2.013 7.648 -9.826 1.00 0.00 H new ATOM 0 HA GLU A 56 0.523 5.275 -9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.780 6.270 -6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.212 5.719 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.065 7.846 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.493 8.560 -8.223 1.00 0.00 H new ATOM 859 N ASN A 57 -0.888 8.224 -8.904 1.00 0.00 N ATOM 860 CA ASN A 57 -2.164 8.902 -8.754 1.00 0.00 C ATOM 861 C ASN A 57 -2.909 8.877 -10.090 1.00 0.00 C ATOM 862 O ASN A 57 -4.138 8.836 -10.118 1.00 0.00 O ATOM 863 CB ASN A 57 -1.967 10.365 -8.349 1.00 0.00 C ATOM 864 CG ASN A 57 -1.891 10.508 -6.828 1.00 0.00 C ATOM 865 OD1 ASN A 57 -0.826 10.558 -6.236 1.00 0.00 O ATOM 866 ND2 ASN A 57 -3.078 10.570 -6.230 1.00 0.00 N ATOM 0 H ASN A 57 -0.095 8.842 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.731 8.387 -7.978 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.053 10.751 -8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.791 10.966 -8.734 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.134 10.665 -5.216 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.932 10.522 -6.786 1.00 0.00 H new ATOM 873 N PHE A 58 -2.134 8.905 -11.164 1.00 0.00 N ATOM 874 CA PHE A 58 -2.706 8.885 -12.499 1.00 0.00 C ATOM 875 C PHE A 58 -3.363 7.535 -12.796 1.00 0.00 C ATOM 876 O PHE A 58 -4.425 7.480 -13.413 1.00 0.00 O ATOM 877 CB PHE A 58 -1.554 9.105 -13.482 1.00 0.00 C ATOM 878 CG PHE A 58 -1.882 8.711 -14.924 1.00 0.00 C ATOM 879 CD1 PHE A 58 -2.060 7.403 -15.248 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.997 9.670 -15.881 1.00 0.00 C ATOM 881 CE1 PHE A 58 -2.365 7.037 -16.586 1.00 0.00 C ATOM 882 CE2 PHE A 58 -2.301 9.305 -17.220 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.479 7.997 -17.544 1.00 0.00 C ATOM 0 H PHE A 58 -1.115 8.941 -11.137 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.470 9.657 -12.587 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.267 10.156 -13.460 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.690 8.531 -13.147 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.969 6.642 -14.488 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.857 10.709 -15.623 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.506 5.998 -16.843 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.391 10.067 -17.980 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.711 7.719 -18.562 1.00 0.00 H new ATOM 893 N GLU A 59 -2.703 6.481 -12.342 1.00 0.00 N ATOM 894 CA GLU A 59 -3.209 5.135 -12.551 1.00 0.00 C ATOM 895 C GLU A 59 -4.326 4.827 -11.552 1.00 0.00 C ATOM 896 O GLU A 59 -5.134 3.927 -11.776 1.00 0.00 O ATOM 897 CB GLU A 59 -2.084 4.104 -12.449 1.00 0.00 C ATOM 898 CG GLU A 59 -1.620 3.939 -11.001 1.00 0.00 C ATOM 899 CD GLU A 59 -2.606 3.084 -10.203 1.00 0.00 C ATOM 900 OE1 GLU A 59 -3.056 2.062 -10.765 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.889 3.472 -9.048 1.00 0.00 O ATOM 0 H GLU A 59 -1.822 6.531 -11.830 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.622 5.076 -13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.429 3.145 -12.835 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.244 4.415 -13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.633 3.476 -10.982 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.521 4.919 -10.533 1.00 0.00 H new ATOM 908 N ASP A 60 -4.335 5.591 -10.469 1.00 0.00 N ATOM 909 CA ASP A 60 -5.340 5.411 -9.434 1.00 0.00 C ATOM 910 C ASP A 60 -6.725 5.697 -10.019 1.00 0.00 C ATOM 911 O ASP A 60 -7.609 4.842 -9.976 1.00 0.00 O ATOM 912 CB ASP A 60 -5.110 6.377 -8.271 1.00 0.00 C ATOM 913 CG ASP A 60 -6.334 6.625 -7.386 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.820 5.635 -6.798 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.755 7.800 -7.316 1.00 0.00 O ATOM 0 H ASP A 60 -3.663 6.336 -10.286 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.271 4.386 -9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.303 5.988 -7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.771 7.332 -8.673 1.00 0.00 H new ATOM 920 N VAL A 61 -6.870 6.900 -10.552 1.00 0.00 N ATOM 921 CA VAL A 61 -8.132 7.309 -11.146 1.00 0.00 C ATOM 922 C VAL A 61 -8.481 6.362 -12.296 1.00 0.00 C ATOM 923 O VAL A 61 -9.633 6.291 -12.719 1.00 0.00 O ATOM 924 CB VAL A 61 -8.057 8.774 -11.579 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.667 9.114 -12.122 1.00 0.00 C ATOM 926 CG2 VAL A 61 -9.142 9.098 -12.607 1.00 0.00 C ATOM 0 H VAL A 61 -6.134 7.606 -10.585 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.937 7.242 -10.414 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.234 9.393 -10.700 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.640 10.161 -12.423 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.921 8.940 -11.347 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.449 8.483 -12.984 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.066 10.146 -12.898 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.011 8.467 -13.486 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.124 8.913 -12.171 1.00 0.00 H new ATOM 936 N GLY A 62 -7.464 5.658 -12.770 1.00 0.00 N ATOM 937 CA GLY A 62 -7.647 4.719 -13.862 1.00 0.00 C ATOM 938 C GLY A 62 -7.982 5.450 -15.164 1.00 0.00 C ATOM 939 O GLY A 62 -9.140 5.488 -15.579 1.00 0.00 O ATOM 0 H GLY A 62 -6.509 5.720 -12.417 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.740 4.129 -13.995 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.448 4.021 -13.616 1.00 0.00 H new ATOM 943 N HIS A 63 -6.949 6.014 -15.772 1.00 0.00 N ATOM 944 CA HIS A 63 -7.119 6.743 -17.017 1.00 0.00 C ATOM 945 C HIS A 63 -7.368 5.756 -18.159 1.00 0.00 C ATOM 946 O HIS A 63 -6.746 4.696 -18.214 1.00 0.00 O ATOM 947 CB HIS A 63 -5.924 7.661 -17.277 1.00 0.00 C ATOM 948 CG HIS A 63 -5.873 8.873 -16.376 1.00 0.00 C ATOM 949 ND1 HIS A 63 -5.008 8.973 -15.301 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.589 10.034 -16.403 1.00 0.00 C ATOM 951 CE1 HIS A 63 -5.203 10.144 -14.715 1.00 0.00 C ATOM 952 NE2 HIS A 63 -6.184 10.801 -15.398 1.00 0.00 N ATOM 0 H HIS A 63 -5.990 5.981 -15.425 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.992 7.392 -16.946 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.005 7.089 -17.151 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.953 7.993 -18.315 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.334 8.265 -15.009 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.356 10.286 -17.121 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.677 10.514 -13.847 1.00 0.00 H new ATOM 960 N SER A 64 -8.278 6.139 -19.043 1.00 0.00 N ATOM 961 CA SER A 64 -8.616 5.301 -20.180 1.00 0.00 C ATOM 962 C SER A 64 -7.342 4.743 -20.816 1.00 0.00 C ATOM 963 O SER A 64 -6.252 5.267 -20.594 1.00 0.00 O ATOM 964 CB SER A 64 -9.428 6.080 -21.217 1.00 0.00 C ATOM 965 OG SER A 64 -8.640 7.060 -21.886 1.00 0.00 O ATOM 0 H SER A 64 -8.792 7.019 -18.994 1.00 0.00 H new ATOM 0 HA SER A 64 -9.230 4.474 -19.824 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.842 5.386 -21.949 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.271 6.566 -20.726 1.00 0.00 H new ATOM 0 HG SER A 64 -9.194 7.534 -22.541 1.00 0.00 H new ATOM 971 N THR A 65 -7.521 3.685 -21.594 1.00 0.00 N ATOM 972 CA THR A 65 -6.399 3.050 -22.264 1.00 0.00 C ATOM 973 C THR A 65 -5.997 3.848 -23.506 1.00 0.00 C ATOM 974 O THR A 65 -4.949 3.597 -24.098 1.00 0.00 O ATOM 975 CB THR A 65 -6.790 1.603 -22.573 1.00 0.00 C ATOM 976 OG1 THR A 65 -5.636 1.060 -23.208 1.00 0.00 O ATOM 977 CG2 THR A 65 -7.882 1.506 -23.638 1.00 0.00 C ATOM 0 H THR A 65 -8.426 3.252 -21.775 1.00 0.00 H new ATOM 0 HA THR A 65 -5.515 3.035 -21.626 1.00 0.00 H new ATOM 0 HB THR A 65 -7.131 1.116 -21.659 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.073 1.789 -23.543 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.122 0.458 -23.819 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.774 2.028 -23.293 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.530 1.963 -24.563 1.00 0.00 H new ATOM 985 N ASP A 66 -6.851 4.796 -23.863 1.00 0.00 N ATOM 986 CA ASP A 66 -6.599 5.632 -25.023 1.00 0.00 C ATOM 987 C ASP A 66 -6.033 6.978 -24.563 1.00 0.00 C ATOM 988 O ASP A 66 -5.914 7.910 -25.357 1.00 0.00 O ATOM 989 CB ASP A 66 -7.889 5.904 -25.799 1.00 0.00 C ATOM 990 CG ASP A 66 -8.433 4.710 -26.588 1.00 0.00 C ATOM 991 OD1 ASP A 66 -8.413 3.598 -26.018 1.00 0.00 O ATOM 992 OD2 ASP A 66 -8.855 4.938 -27.742 1.00 0.00 O ATOM 0 H ASP A 66 -7.719 5.003 -23.368 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.894 5.108 -25.668 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.654 6.236 -25.097 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.712 6.728 -26.491 1.00 0.00 H new ATOM 997 N VAL A 67 -5.698 7.036 -23.283 1.00 0.00 N ATOM 998 CA VAL A 67 -5.148 8.251 -22.707 1.00 0.00 C ATOM 999 C VAL A 67 -3.654 8.330 -23.026 1.00 0.00 C ATOM 1000 O VAL A 67 -3.143 9.396 -23.366 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.442 8.300 -21.205 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -4.145 8.329 -20.394 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -6.333 9.494 -20.860 1.00 0.00 C ATOM 0 H VAL A 67 -5.797 6.261 -22.628 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.622 9.129 -23.146 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.983 7.392 -20.939 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.382 8.364 -19.331 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.562 7.433 -20.607 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.566 9.211 -20.666 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.527 9.506 -19.787 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.831 10.418 -21.148 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.277 9.411 -21.398 1.00 0.00 H new ATOM 1013 N ARG A 68 -2.995 7.187 -22.907 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.570 7.113 -23.179 1.00 0.00 C ATOM 1015 C ARG A 68 -1.255 7.736 -24.540 1.00 0.00 C ATOM 1016 O ARG A 68 -0.196 8.335 -24.724 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.080 5.663 -23.165 1.00 0.00 C ATOM 1018 CG ARG A 68 0.448 5.600 -23.211 1.00 0.00 C ATOM 1019 CD ARG A 68 0.959 4.274 -22.642 1.00 0.00 C ATOM 1020 NE ARG A 68 2.429 4.195 -22.787 1.00 0.00 N ATOM 1021 CZ ARG A 68 3.130 3.055 -22.722 1.00 0.00 C ATOM 1022 NH1 ARG A 68 2.499 1.891 -22.515 1.00 0.00 N ATOM 1023 NH2 ARG A 68 4.463 3.077 -22.866 1.00 0.00 N ATOM 0 H ARG A 68 -3.422 6.304 -22.626 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.055 7.667 -22.394 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.441 5.162 -22.267 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.495 5.127 -24.018 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.790 5.714 -24.240 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.867 6.430 -22.642 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.684 4.190 -21.591 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.488 3.440 -23.163 1.00 0.00 H new ATOM 0 HE ARG A 68 2.941 5.063 -22.946 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.485 1.873 -22.407 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.033 1.023 -22.466 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.944 3.962 -23.025 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.996 2.209 -22.816 1.00 0.00 H new ATOM 1037 N GLU A 69 -2.195 7.575 -25.460 1.00 0.00 N ATOM 1038 CA GLU A 69 -2.032 8.114 -26.800 1.00 0.00 C ATOM 1039 C GLU A 69 -2.666 9.503 -26.893 1.00 0.00 C ATOM 1040 O GLU A 69 -2.948 9.989 -27.987 1.00 0.00 O ATOM 1041 CB GLU A 69 -2.624 7.169 -27.847 1.00 0.00 C ATOM 1042 CG GLU A 69 -4.143 7.066 -27.696 1.00 0.00 C ATOM 1043 CD GLU A 69 -4.692 5.867 -28.473 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -4.109 4.773 -28.312 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -5.681 6.072 -29.208 1.00 0.00 O ATOM 0 H GLU A 69 -3.072 7.079 -25.304 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.966 8.208 -27.006 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.378 7.528 -28.846 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.177 6.180 -27.744 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.401 6.970 -26.641 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.611 7.982 -28.056 1.00 0.00 H new ATOM 1052 N LEU A 70 -2.871 10.104 -25.730 1.00 0.00 N ATOM 1053 CA LEU A 70 -3.468 11.428 -25.667 1.00 0.00 C ATOM 1054 C LEU A 70 -2.359 12.476 -25.554 1.00 0.00 C ATOM 1055 O LEU A 70 -2.281 13.392 -26.371 1.00 0.00 O ATOM 1056 CB LEU A 70 -4.497 11.499 -24.538 1.00 0.00 C ATOM 1057 CG LEU A 70 -5.684 12.436 -24.770 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -5.211 13.870 -25.014 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -6.573 11.924 -25.907 1.00 0.00 C ATOM 0 H LEU A 70 -2.635 9.699 -24.824 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.019 11.642 -26.583 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.882 10.495 -24.360 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.986 11.811 -23.627 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.292 12.447 -23.866 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.074 14.515 -25.176 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.653 14.222 -24.146 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.568 13.896 -25.894 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.409 12.608 -26.051 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.990 11.865 -26.826 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.953 10.934 -25.654 1.00 0.00 H new ATOM 1071 N SER A 71 -1.530 12.307 -24.535 1.00 0.00 N ATOM 1072 CA SER A 71 -0.429 13.227 -24.305 1.00 0.00 C ATOM 1073 C SER A 71 0.570 13.148 -25.461 1.00 0.00 C ATOM 1074 O SER A 71 1.476 12.315 -25.447 1.00 0.00 O ATOM 1075 CB SER A 71 0.271 12.928 -22.978 1.00 0.00 C ATOM 1076 OG SER A 71 0.713 14.117 -22.328 1.00 0.00 O ATOM 0 H SER A 71 -1.598 11.546 -23.859 1.00 0.00 H new ATOM 0 HA SER A 71 -0.834 14.238 -24.252 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.412 12.388 -22.322 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.124 12.274 -23.158 1.00 0.00 H new ATOM 0 HG SER A 71 0.856 13.935 -21.376 1.00 0.00 H new ATOM 1082 N LYS A 72 0.371 14.024 -26.434 1.00 0.00 N ATOM 1083 CA LYS A 72 1.244 14.063 -27.596 1.00 0.00 C ATOM 1084 C LYS A 72 1.818 15.473 -27.751 1.00 0.00 C ATOM 1085 O LYS A 72 2.983 15.638 -28.106 1.00 0.00 O ATOM 1086 CB LYS A 72 0.505 13.560 -28.837 1.00 0.00 C ATOM 1087 CG LYS A 72 0.954 12.143 -29.205 1.00 0.00 C ATOM 1088 CD LYS A 72 2.052 12.175 -30.270 1.00 0.00 C ATOM 1089 CE LYS A 72 3.436 12.024 -29.635 1.00 0.00 C ATOM 1090 NZ LYS A 72 3.608 10.660 -29.086 1.00 0.00 N ATOM 0 H LYS A 72 -0.382 14.712 -26.442 1.00 0.00 H new ATOM 0 HA LYS A 72 2.089 13.388 -27.461 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.569 13.569 -28.654 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.691 14.233 -29.674 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.320 11.631 -28.315 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.102 11.572 -29.573 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.889 11.373 -30.990 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.001 13.114 -30.822 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.208 12.223 -30.379 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.561 12.760 -28.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.621 10.425 -29.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.209 10.619 -28.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.115 9.976 -29.695 1.00 0.00 H new ATOM 1104 N THR A 73 0.971 16.455 -27.476 1.00 0.00 N ATOM 1105 CA THR A 73 1.378 17.846 -27.581 1.00 0.00 C ATOM 1106 C THR A 73 1.844 18.368 -26.220 1.00 0.00 C ATOM 1107 O THR A 73 2.639 19.305 -26.150 1.00 0.00 O ATOM 1108 CB THR A 73 0.209 18.639 -28.168 1.00 0.00 C ATOM 1109 OG1 THR A 73 0.183 18.255 -29.540 1.00 0.00 O ATOM 1110 CG2 THR A 73 0.482 20.144 -28.206 1.00 0.00 C ATOM 0 H THR A 73 0.005 16.314 -27.181 1.00 0.00 H new ATOM 0 HA THR A 73 2.232 17.959 -28.248 1.00 0.00 H new ATOM 0 HB THR A 73 -0.689 18.449 -27.581 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.548 18.722 -29.997 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.379 20.659 -28.631 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.659 20.507 -27.194 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.361 20.339 -28.820 1.00 0.00 H new ATOM 1118 N TYR A 74 1.331 17.740 -25.173 1.00 0.00 N ATOM 1119 CA TYR A 74 1.685 18.130 -23.819 1.00 0.00 C ATOM 1120 C TYR A 74 2.743 17.191 -23.237 1.00 0.00 C ATOM 1121 O TYR A 74 2.680 16.830 -22.063 1.00 0.00 O ATOM 1122 CB TYR A 74 0.401 18.005 -22.996 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.880 18.219 -23.804 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -1.072 19.400 -24.492 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.843 17.232 -23.844 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -2.278 19.602 -25.252 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -3.050 17.434 -24.605 1.00 0.00 C ATOM 1128 CZ TYR A 74 -3.207 18.609 -25.271 1.00 0.00 C ATOM 1129 OH TYR A 74 -4.346 18.800 -25.991 1.00 0.00 O ATOM 0 H TYR A 74 0.673 16.963 -25.235 1.00 0.00 H new ATOM 0 HA TYR A 74 2.095 19.140 -23.805 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.369 17.016 -22.540 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.431 18.730 -22.183 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.318 20.172 -24.460 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.692 16.308 -23.305 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.441 20.521 -25.795 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.812 16.670 -24.645 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.918 18.008 -25.915 1.00 0.00 H new ATOM 1139 N ILE A 75 3.691 16.821 -24.085 1.00 0.00 N ATOM 1140 CA ILE A 75 4.762 15.931 -23.670 1.00 0.00 C ATOM 1141 C ILE A 75 6.101 16.661 -23.788 1.00 0.00 C ATOM 1142 O ILE A 75 6.318 17.419 -24.732 1.00 0.00 O ATOM 1143 CB ILE A 75 4.705 14.621 -24.457 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.362 14.878 -25.926 1.00 0.00 C ATOM 1145 CG2 ILE A 75 3.736 13.631 -23.807 1.00 0.00 C ATOM 1146 CD1 ILE A 75 5.491 15.633 -26.629 1.00 0.00 C ATOM 0 H ILE A 75 3.740 17.122 -25.058 1.00 0.00 H new ATOM 0 HA ILE A 75 4.641 15.653 -22.623 1.00 0.00 H new ATOM 0 HB ILE A 75 5.695 14.165 -24.432 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.183 13.930 -26.433 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.439 15.453 -25.992 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.715 12.708 -24.387 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.065 13.413 -22.791 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.737 14.065 -23.779 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.221 15.803 -27.671 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.651 16.591 -26.135 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.407 15.044 -26.582 1.00 0.00 H new ATOM 1158 N ILE A 76 6.964 16.409 -22.814 1.00 0.00 N ATOM 1159 CA ILE A 76 8.276 17.033 -22.797 1.00 0.00 C ATOM 1160 C ILE A 76 9.322 16.023 -23.272 1.00 0.00 C ATOM 1161 O ILE A 76 10.215 16.368 -24.047 1.00 0.00 O ATOM 1162 CB ILE A 76 8.571 17.619 -21.415 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.683 16.836 -20.713 1.00 0.00 C ATOM 1164 CG2 ILE A 76 7.300 17.693 -20.567 1.00 0.00 C ATOM 1165 CD1 ILE A 76 10.232 17.616 -19.517 1.00 0.00 C ATOM 0 H ILE A 76 6.780 15.781 -22.031 1.00 0.00 H new ATOM 0 HA ILE A 76 8.307 17.875 -23.489 1.00 0.00 H new ATOM 0 HB ILE A 76 8.929 18.640 -21.547 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.298 15.873 -20.378 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.488 16.630 -21.418 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.538 18.113 -19.590 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.567 18.327 -21.065 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.888 16.692 -20.441 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.021 17.037 -19.036 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.638 18.568 -19.859 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.429 17.799 -18.803 1.00 0.00 H new ATOM 1177 N GLY A 77 9.178 14.797 -22.791 1.00 0.00 N ATOM 1178 CA GLY A 77 10.100 13.736 -23.158 1.00 0.00 C ATOM 1179 C GLY A 77 10.247 12.721 -22.023 1.00 0.00 C ATOM 1180 O GLY A 77 9.282 12.052 -21.656 1.00 0.00 O ATOM 0 H GLY A 77 8.436 14.515 -22.150 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.742 13.233 -24.056 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.074 14.162 -23.398 1.00 0.00 H new ATOM 1184 N GLU A 78 11.460 12.637 -21.499 1.00 0.00 N ATOM 1185 CA GLU A 78 11.746 11.714 -20.414 1.00 0.00 C ATOM 1186 C GLU A 78 12.987 12.168 -19.643 1.00 0.00 C ATOM 1187 O GLU A 78 14.072 12.273 -20.213 1.00 0.00 O ATOM 1188 CB GLU A 78 11.917 10.287 -20.938 1.00 0.00 C ATOM 1189 CG GLU A 78 12.725 10.274 -22.238 1.00 0.00 C ATOM 1190 CD GLU A 78 12.605 8.921 -22.945 1.00 0.00 C ATOM 1191 OE1 GLU A 78 11.451 8.491 -23.155 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.671 8.349 -23.257 1.00 0.00 O ATOM 0 H GLU A 78 12.258 13.194 -21.806 1.00 0.00 H new ATOM 0 HA GLU A 78 10.897 11.715 -19.730 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.420 9.678 -20.187 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.938 9.839 -21.109 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.371 11.066 -22.898 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.773 10.484 -22.021 1.00 0.00 H new ATOM 1199 N LEU A 79 12.786 12.424 -18.359 1.00 0.00 N ATOM 1200 CA LEU A 79 13.875 12.865 -17.504 1.00 0.00 C ATOM 1201 C LEU A 79 15.099 11.979 -17.748 1.00 0.00 C ATOM 1202 O LEU A 79 14.981 10.894 -18.313 1.00 0.00 O ATOM 1203 CB LEU A 79 13.426 12.904 -16.042 1.00 0.00 C ATOM 1204 CG LEU A 79 13.636 11.618 -15.241 1.00 0.00 C ATOM 1205 CD1 LEU A 79 13.339 10.385 -16.097 1.00 0.00 C ATOM 1206 CD2 LEU A 79 15.040 11.571 -14.636 1.00 0.00 C ATOM 0 H LEU A 79 11.885 12.334 -17.890 1.00 0.00 H new ATOM 0 HA LEU A 79 14.165 13.886 -17.752 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.959 13.712 -15.541 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.366 13.156 -16.015 1.00 0.00 H new ATOM 0 HG LEU A 79 12.929 11.613 -14.412 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.496 9.484 -15.504 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.304 10.419 -16.438 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.005 10.372 -16.960 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.162 10.646 -14.072 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.782 11.610 -15.434 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.178 12.423 -13.970 1.00 0.00 H new ATOM 1218 N HIS A 80 16.246 12.477 -17.310 1.00 0.00 N ATOM 1219 CA HIS A 80 17.491 11.745 -17.474 1.00 0.00 C ATOM 1220 C HIS A 80 17.230 10.246 -17.307 1.00 0.00 C ATOM 1221 O HIS A 80 16.389 9.844 -16.504 1.00 0.00 O ATOM 1222 CB HIS A 80 18.561 12.271 -16.516 1.00 0.00 C ATOM 1223 CG HIS A 80 19.968 12.178 -17.056 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.876 11.228 -16.622 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.612 12.924 -17.999 1.00 0.00 C ATOM 1226 CE1 HIS A 80 22.013 11.404 -17.279 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.848 12.456 -18.132 1.00 0.00 N ATOM 0 H HIS A 80 16.340 13.378 -16.842 1.00 0.00 H new ATOM 0 HA HIS A 80 17.879 11.901 -18.480 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.342 13.312 -16.279 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.504 11.713 -15.582 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.189 13.754 -18.545 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.912 10.818 -17.160 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.557 12.823 -18.767 1.00 0.00 H new ATOM 1235 N PRO A 81 17.986 9.440 -18.098 1.00 0.00 N ATOM 1236 CA PRO A 81 17.846 7.994 -18.046 1.00 0.00 C ATOM 1237 C PRO A 81 18.498 7.426 -16.784 1.00 0.00 C ATOM 1238 O PRO A 81 18.160 6.326 -16.348 1.00 0.00 O ATOM 1239 CB PRO A 81 18.490 7.490 -19.327 1.00 0.00 C ATOM 1240 CG PRO A 81 19.376 8.622 -19.822 1.00 0.00 C ATOM 1241 CD PRO A 81 18.992 9.880 -19.061 1.00 0.00 C ATOM 0 HA PRO A 81 16.806 7.673 -17.987 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.075 6.589 -19.142 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.734 7.233 -20.069 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.427 8.383 -19.660 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.245 8.769 -20.894 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.855 10.318 -18.559 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.592 10.641 -19.731 1.00 0.00 H new ATOM 1249 N ASP A 82 19.420 8.201 -16.232 1.00 0.00 N ATOM 1250 CA ASP A 82 20.123 7.788 -15.029 1.00 0.00 C ATOM 1251 C ASP A 82 19.216 8.001 -13.815 1.00 0.00 C ATOM 1252 O ASP A 82 18.982 7.076 -13.039 1.00 0.00 O ATOM 1253 CB ASP A 82 21.392 8.616 -14.821 1.00 0.00 C ATOM 1254 CG ASP A 82 22.500 7.913 -14.034 1.00 0.00 C ATOM 1255 OD1 ASP A 82 22.308 7.744 -12.811 1.00 0.00 O ATOM 1256 OD2 ASP A 82 23.515 7.562 -14.674 1.00 0.00 O ATOM 0 H ASP A 82 19.697 9.113 -16.596 1.00 0.00 H new ATOM 0 HA ASP A 82 20.392 6.737 -15.140 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.785 8.902 -15.796 1.00 0.00 H new ATOM 0 HB3 ASP A 82 21.126 9.537 -14.302 1.00 0.00 H new ATOM 1261 N ASP A 83 18.727 9.227 -13.690 1.00 0.00 N ATOM 1262 CA ASP A 83 17.850 9.573 -12.584 1.00 0.00 C ATOM 1263 C ASP A 83 16.530 8.813 -12.728 1.00 0.00 C ATOM 1264 O ASP A 83 15.705 8.819 -11.816 1.00 0.00 O ATOM 1265 CB ASP A 83 17.535 11.070 -12.578 1.00 0.00 C ATOM 1266 CG ASP A 83 18.626 11.959 -11.975 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.751 11.924 -12.520 1.00 0.00 O ATOM 1268 OD2 ASP A 83 18.310 12.650 -10.984 1.00 0.00 O ATOM 0 H ASP A 83 18.922 9.992 -14.336 1.00 0.00 H new ATOM 0 HA ASP A 83 18.357 9.307 -11.656 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.351 11.391 -13.603 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.610 11.229 -12.023 1.00 0.00 H new ATOM 1273 N ARG A 84 16.373 8.179 -13.880 1.00 0.00 N ATOM 1274 CA ARG A 84 15.167 7.416 -14.155 1.00 0.00 C ATOM 1275 C ARG A 84 14.994 6.303 -13.119 1.00 0.00 C ATOM 1276 O ARG A 84 13.871 5.942 -12.771 1.00 0.00 O ATOM 1277 CB ARG A 84 15.213 6.797 -15.554 1.00 0.00 C ATOM 1278 CG ARG A 84 13.842 6.860 -16.227 1.00 0.00 C ATOM 1279 CD ARG A 84 13.949 6.551 -17.722 1.00 0.00 C ATOM 1280 NE ARG A 84 12.863 7.234 -18.459 1.00 0.00 N ATOM 1281 CZ ARG A 84 12.486 6.916 -19.705 1.00 0.00 C ATOM 1282 NH1 ARG A 84 13.103 5.923 -20.359 1.00 0.00 N ATOM 1283 NH2 ARG A 84 11.489 7.589 -20.296 1.00 0.00 N ATOM 0 H ARG A 84 17.060 8.178 -14.634 1.00 0.00 H new ATOM 0 HA ARG A 84 14.322 8.102 -14.101 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.946 7.324 -16.165 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.541 5.760 -15.486 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.167 6.148 -15.752 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.410 7.851 -16.087 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.918 6.877 -18.101 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.889 5.475 -17.885 1.00 0.00 H new ATOM 0 HE ARG A 84 12.371 7.994 -17.990 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.860 5.409 -19.909 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.816 5.681 -21.307 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.017 8.343 -19.797 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.202 7.347 -21.244 1.00 0.00 H new ATOM 1297 N SER A 85 16.124 5.792 -12.653 1.00 0.00 N ATOM 1298 CA SER A 85 16.112 4.728 -11.663 1.00 0.00 C ATOM 1299 C SER A 85 16.260 5.318 -10.259 1.00 0.00 C ATOM 1300 O SER A 85 16.183 4.596 -9.267 1.00 0.00 O ATOM 1301 CB SER A 85 17.225 3.713 -11.932 1.00 0.00 C ATOM 1302 OG SER A 85 17.141 2.587 -11.062 1.00 0.00 O ATOM 0 H SER A 85 17.054 6.095 -12.942 1.00 0.00 H new ATOM 0 HA SER A 85 15.157 4.207 -11.733 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.167 3.377 -12.967 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.194 4.196 -11.808 1.00 0.00 H new ATOM 0 HG SER A 85 16.817 2.876 -10.183 1.00 0.00 H new ATOM 1308 N LYS A 86 16.468 6.627 -10.221 1.00 0.00 N ATOM 1309 CA LYS A 86 16.627 7.322 -8.954 1.00 0.00 C ATOM 1310 C LYS A 86 15.260 7.465 -8.282 1.00 0.00 C ATOM 1311 O LYS A 86 15.140 7.289 -7.070 1.00 0.00 O ATOM 1312 CB LYS A 86 17.353 8.653 -9.161 1.00 0.00 C ATOM 1313 CG LYS A 86 18.861 8.492 -8.959 1.00 0.00 C ATOM 1314 CD LYS A 86 19.496 9.806 -8.501 1.00 0.00 C ATOM 1315 CE LYS A 86 20.065 9.676 -7.087 1.00 0.00 C ATOM 1316 NZ LYS A 86 21.112 10.696 -6.853 1.00 0.00 N ATOM 0 H LYS A 86 16.530 7.224 -11.046 1.00 0.00 H new ATOM 0 HA LYS A 86 17.257 6.744 -8.278 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.155 9.027 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 86 16.966 9.395 -8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.051 7.715 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.324 8.166 -9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.290 10.091 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 86 18.752 10.602 -8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 86 19.266 9.792 -6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.483 8.679 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 21.487 10.593 -5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 21.882 10.567 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 20.703 11.646 -6.966 1.00 0.00 H new ATOM 1330 N ILE A 87 14.266 7.783 -9.096 1.00 0.00 N ATOM 1331 CA ILE A 87 12.913 7.953 -8.595 1.00 0.00 C ATOM 1332 C ILE A 87 12.396 6.611 -8.072 1.00 0.00 C ATOM 1333 O ILE A 87 11.377 6.559 -7.384 1.00 0.00 O ATOM 1334 CB ILE A 87 12.019 8.581 -9.666 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.310 10.076 -9.816 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.542 8.311 -9.374 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.222 10.765 -10.642 1.00 0.00 C ATOM 0 H ILE A 87 14.370 7.928 -10.100 1.00 0.00 H new ATOM 0 HA ILE A 87 12.902 8.649 -7.756 1.00 0.00 H new ATOM 0 HB ILE A 87 12.249 8.111 -10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.372 10.539 -8.831 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.279 10.215 -10.295 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.928 8.768 -10.150 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.365 7.236 -9.358 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.279 8.737 -8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.452 11.826 -10.734 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.179 10.316 -11.634 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.258 10.644 -10.147 1.00 0.00 H new ATOM 1349 N ALA A 88 13.123 5.558 -8.418 1.00 0.00 N ATOM 1350 CA ALA A 88 12.750 4.220 -7.992 1.00 0.00 C ATOM 1351 C ALA A 88 12.615 4.193 -6.468 1.00 0.00 C ATOM 1352 O ALA A 88 13.564 3.854 -5.763 1.00 0.00 O ATOM 1353 CB ALA A 88 13.783 3.215 -8.503 1.00 0.00 C ATOM 0 H ALA A 88 13.968 5.605 -8.988 1.00 0.00 H new ATOM 0 HA ALA A 88 11.785 3.939 -8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.503 2.211 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.819 3.252 -9.592 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.764 3.464 -8.099 1.00 0.00 H new