USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 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 82 GLN : amide:sc= -2.7 K(o=-3,f=-3.7) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.278 K(o=-3,f=-3.7!) USER MOD Single : A 4 GLN : amide:sc= -0.025 K(o=-0.025,f=-0.57) USER MOD Single : A 6 THR OG1 : rot -140:sc= -0.876 USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0511 (180deg=-0.491) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.326 F(o=-2.2,f=-0.33) USER MOD Single : A 16 GLN : amide:sc= -0.384 K(o=-0.38,f=-0.98) USER MOD Single : A 19 ASN :FLIP amide:sc= -2.32! C(o=-4.5!,f=-2.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= -3.59! (180deg=-4.26!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0479 F(o=-1.4,f=-0.048) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 45 THR OG1 : rot -160:sc=-0.00935 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= -0.0678 (180deg=-0.0678) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 66 SER OG : rot -171:sc= 0.656 USER MOD Single : A 67 TYR OH : rot 64:sc= 1.23 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.34) USER MOD Single : A 86 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.6!) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.0782 (180deg=-0.612) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 89 SER OG : rot -55:sc= 0.88 USER MOD Single : A 90 SER OG : rot 180:sc= -0.254 USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= -2.76! (180deg=-2.9!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -12.100 4.993 -8.877 1.00 0.00 N ATOM 36 CA PRO A 3 -11.848 4.162 -7.666 1.00 0.00 C ATOM 37 C PRO A 3 -11.869 4.979 -6.375 1.00 0.00 C ATOM 38 O PRO A 3 -11.565 6.154 -6.356 1.00 0.00 O ATOM 39 CB PRO A 3 -10.460 3.540 -7.911 1.00 0.00 C ATOM 40 CG PRO A 3 -9.803 4.420 -8.930 1.00 0.00 C ATOM 41 CD PRO A 3 -10.927 5.027 -9.768 1.00 0.00 C ATOM 0 HA PRO A 3 -12.628 3.414 -7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.878 3.503 -6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.547 2.516 -8.274 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.214 5.200 -8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.119 3.846 -9.555 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.689 6.045 -10.075 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.101 4.452 -10.678 1.00 0.00 H new ATOM 49 N GLN A 4 -12.244 4.341 -5.304 1.00 0.00 N ATOM 50 CA GLN A 4 -12.321 5.028 -3.987 1.00 0.00 C ATOM 51 C GLN A 4 -10.917 5.282 -3.441 1.00 0.00 C ATOM 52 O GLN A 4 -10.359 4.476 -2.721 1.00 0.00 O ATOM 53 CB GLN A 4 -13.120 4.148 -3.011 1.00 0.00 C ATOM 54 CG GLN A 4 -12.759 2.671 -3.216 1.00 0.00 C ATOM 55 CD GLN A 4 -13.339 1.840 -2.069 1.00 0.00 C ATOM 56 OE1 GLN A 4 -13.114 2.136 -0.915 1.00 0.00 O ATOM 57 NE2 GLN A 4 -14.088 0.806 -2.342 1.00 0.00 N ATOM 0 H GLN A 4 -12.505 3.355 -5.286 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.821 5.989 -4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.906 4.444 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -14.189 4.294 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -13.152 2.318 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.676 2.552 -3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.278 0.556 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.483 0.248 -1.585 1.00 0.00 H new ATOM 66 N LEU A 5 -10.356 6.409 -3.782 1.00 0.00 N ATOM 67 CA LEU A 5 -8.992 6.758 -3.299 1.00 0.00 C ATOM 68 C LEU A 5 -9.069 7.270 -1.868 1.00 0.00 C ATOM 69 O LEU A 5 -9.959 8.012 -1.506 1.00 0.00 O ATOM 70 CB LEU A 5 -8.391 7.851 -4.192 1.00 0.00 C ATOM 71 CG LEU A 5 -8.380 7.383 -5.650 1.00 0.00 C ATOM 72 CD1 LEU A 5 -7.821 8.500 -6.537 1.00 0.00 C ATOM 73 CD2 LEU A 5 -7.503 6.130 -5.790 1.00 0.00 C ATOM 0 H LEU A 5 -10.790 7.110 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.364 5.868 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.972 8.769 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.376 8.082 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.397 7.143 -5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.812 8.170 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.448 9.387 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.805 8.739 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.500 5.803 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.484 6.362 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.902 5.335 -5.160 1.00 0.00 H new ATOM 85 N THR A 6 -8.125 6.877 -1.057 1.00 0.00 N ATOM 86 CA THR A 6 -8.093 7.322 0.371 1.00 0.00 C ATOM 87 C THR A 6 -6.727 7.919 0.692 1.00 0.00 C ATOM 88 O THR A 6 -5.696 7.342 0.405 1.00 0.00 O ATOM 89 CB THR A 6 -8.353 6.123 1.286 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.658 5.623 1.041 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.234 6.560 2.747 1.00 0.00 C ATOM 0 H THR A 6 -7.361 6.256 -1.325 1.00 0.00 H new ATOM 0 HA THR A 6 -8.864 8.076 0.531 1.00 0.00 H new ATOM 0 HB THR A 6 -7.620 5.342 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.076 5.370 1.890 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.419 5.706 3.398 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.231 6.946 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.967 7.340 2.954 1.00 0.00 H new ATOM 99 N LYS A 7 -6.723 9.078 1.290 1.00 0.00 N ATOM 100 CA LYS A 7 -5.440 9.746 1.649 1.00 0.00 C ATOM 101 C LYS A 7 -4.938 9.210 2.987 1.00 0.00 C ATOM 102 O LYS A 7 -5.688 8.695 3.792 1.00 0.00 O ATOM 103 CB LYS A 7 -5.649 11.260 1.750 1.00 0.00 C ATOM 104 CG LYS A 7 -5.964 11.827 0.364 1.00 0.00 C ATOM 105 CD LYS A 7 -6.184 13.340 0.460 1.00 0.00 C ATOM 106 CE LYS A 7 -6.450 13.908 -0.937 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.700 13.310 -1.489 1.00 0.00 N ATOM 0 H LYS A 7 -7.563 9.596 1.548 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.702 9.537 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.465 11.480 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.755 11.735 2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.144 11.612 -0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.854 11.346 -0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.026 13.555 1.118 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.308 13.818 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.544 14.993 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.609 13.691 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.066 13.914 -2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.495 12.362 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.412 13.237 -0.735 1.00 0.00 H new ATOM 121 N ILE A 8 -3.662 9.328 3.207 1.00 0.00 N ATOM 122 CA ILE A 8 -3.049 8.828 4.467 1.00 0.00 C ATOM 123 C ILE A 8 -3.627 9.597 5.657 1.00 0.00 C ATOM 124 O ILE A 8 -3.925 9.032 6.686 1.00 0.00 O ATOM 125 CB ILE A 8 -1.529 9.043 4.408 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.925 8.129 3.334 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.912 8.700 5.767 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.543 8.500 3.100 1.00 0.00 C ATOM 0 H ILE A 8 -3.005 9.758 2.556 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.266 7.766 4.584 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.320 10.084 4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.001 7.087 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.486 8.225 2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.167 8.852 5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.340 9.345 6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.122 7.658 6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.966 7.847 2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.608 9.536 2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.101 8.381 4.029 1.00 0.00 H new ATOM 140 N VAL A 9 -3.767 10.886 5.520 1.00 0.00 N ATOM 141 CA VAL A 9 -4.305 11.718 6.634 1.00 0.00 C ATOM 142 C VAL A 9 -5.761 11.335 6.902 1.00 0.00 C ATOM 143 O VAL A 9 -6.278 11.544 7.980 1.00 0.00 O ATOM 144 CB VAL A 9 -4.221 13.202 6.247 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.121 13.491 5.039 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.668 14.060 7.434 1.00 0.00 C ATOM 0 H VAL A 9 -3.529 11.405 4.675 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.718 11.545 7.536 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.191 13.442 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.050 14.547 4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.799 12.885 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.154 13.247 5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.610 15.114 7.163 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.695 13.809 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.017 13.868 8.287 1.00 0.00 H new ATOM 156 N ASP A 10 -6.428 10.788 5.921 1.00 0.00 N ATOM 157 CA ASP A 10 -7.856 10.399 6.104 1.00 0.00 C ATOM 158 C ASP A 10 -7.916 9.101 6.908 1.00 0.00 C ATOM 159 O ASP A 10 -8.974 8.651 7.297 1.00 0.00 O ATOM 160 CB ASP A 10 -8.505 10.187 4.728 1.00 0.00 C ATOM 161 CG ASP A 10 -8.642 11.533 4.014 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.511 12.549 4.676 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.874 11.525 2.816 1.00 0.00 O ATOM 0 H ASP A 10 -6.043 10.593 4.997 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.392 11.185 6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.899 9.506 4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.485 9.724 4.844 1.00 0.00 H new ATOM 168 N ILE A 11 -6.781 8.502 7.157 1.00 0.00 N ATOM 169 CA ILE A 11 -6.741 7.232 7.941 1.00 0.00 C ATOM 170 C ILE A 11 -6.516 7.546 9.421 1.00 0.00 C ATOM 171 O ILE A 11 -5.490 8.060 9.814 1.00 0.00 O ATOM 172 CB ILE A 11 -5.600 6.351 7.421 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.879 5.964 5.964 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.507 5.085 8.276 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.657 5.254 5.374 1.00 0.00 C ATOM 0 H ILE A 11 -5.871 8.842 6.847 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.688 6.705 7.828 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.660 6.899 7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.751 5.312 5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.111 6.854 5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.696 4.456 7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.312 5.360 9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.447 4.536 8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.860 4.981 4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.796 5.921 5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.445 4.354 5.952 1.00 0.00 H new ATOM 187 N VAL A 12 -7.478 7.223 10.239 1.00 0.00 N ATOM 188 CA VAL A 12 -7.356 7.472 11.708 1.00 0.00 C ATOM 189 C VAL A 12 -8.189 6.427 12.450 1.00 0.00 C ATOM 190 O VAL A 12 -8.464 6.552 13.625 1.00 0.00 O ATOM 191 CB VAL A 12 -7.858 8.875 12.049 1.00 0.00 C ATOM 192 CG1 VAL A 12 -6.922 9.904 11.418 1.00 0.00 C ATOM 193 CG2 VAL A 12 -9.283 9.074 11.514 1.00 0.00 C ATOM 0 H VAL A 12 -8.356 6.791 9.951 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.311 7.398 12.008 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.872 9.001 13.132 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.272 10.908 11.656 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.914 9.768 11.811 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.911 9.770 10.336 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.629 10.077 11.764 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.286 8.948 10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.948 8.338 11.967 1.00 0.00 H new ATOM 203 N GLU A 13 -8.582 5.388 11.761 1.00 0.00 N ATOM 204 CA GLU A 13 -9.390 4.303 12.396 1.00 0.00 C ATOM 205 C GLU A 13 -8.872 2.946 11.928 1.00 0.00 C ATOM 206 O GLU A 13 -8.570 2.742 10.770 1.00 0.00 O ATOM 207 CB GLU A 13 -10.865 4.452 12.003 1.00 0.00 C ATOM 208 CG GLU A 13 -10.999 4.542 10.477 1.00 0.00 C ATOM 209 CD GLU A 13 -12.476 4.701 10.098 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.181 5.396 10.811 1.00 0.00 O ATOM 211 OE2 GLU A 13 -12.876 4.127 9.097 1.00 0.00 O ATOM 0 H GLU A 13 -8.375 5.243 10.773 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.300 4.375 13.480 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.436 3.602 12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.284 5.346 12.466 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.424 5.388 10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.589 3.645 10.012 1.00 0.00 H new ATOM 218 N ASN A 14 -8.762 2.021 12.836 1.00 0.00 N ATOM 219 CA ASN A 14 -8.260 0.671 12.483 1.00 0.00 C ATOM 220 C ASN A 14 -9.335 -0.104 11.727 1.00 0.00 C ATOM 221 O ASN A 14 -10.517 0.060 11.952 1.00 0.00 O ATOM 222 CB ASN A 14 -7.880 -0.075 13.768 1.00 0.00 C ATOM 223 CG ASN A 14 -6.968 -1.251 13.420 1.00 0.00 C ATOM 224 OD1 ASN A 14 -5.914 -1.041 12.684 1.00 0.00 O flip ATOM 225 ND2 ASN A 14 -7.219 -2.371 13.817 1.00 0.00 N flip ATOM 0 H ASN A 14 -9.002 2.146 13.819 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.383 0.764 11.843 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.374 0.600 14.458 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.777 -0.433 14.273 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.044 -2.535 14.393 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.604 -3.148 13.574 1.00 0.00 H new ATOM 232 N GLY A 15 -8.912 -0.945 10.829 1.00 0.00 N ATOM 233 CA GLY A 15 -9.867 -1.760 10.028 1.00 0.00 C ATOM 234 C GLY A 15 -10.592 -0.863 9.027 1.00 0.00 C ATOM 235 O GLY A 15 -11.541 -0.184 9.358 1.00 0.00 O ATOM 0 H GLY A 15 -7.928 -1.106 10.612 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.333 -2.552 9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.588 -2.245 10.686 1.00 0.00 H new ATOM 239 N GLN A 16 -10.147 -0.870 7.798 1.00 0.00 N ATOM 240 CA GLN A 16 -10.801 -0.035 6.751 1.00 0.00 C ATOM 241 C GLN A 16 -10.350 -0.486 5.362 1.00 0.00 C ATOM 242 O GLN A 16 -9.170 -0.581 5.069 1.00 0.00 O ATOM 243 CB GLN A 16 -10.439 1.436 6.957 1.00 0.00 C ATOM 244 CG GLN A 16 -11.139 2.276 5.884 1.00 0.00 C ATOM 245 CD GLN A 16 -10.970 3.766 6.192 1.00 0.00 C ATOM 246 OE1 GLN A 16 -11.867 4.393 6.713 1.00 0.00 O ATOM 247 NE2 GLN A 16 -9.849 4.364 5.889 1.00 0.00 N ATOM 0 H GLN A 16 -9.353 -1.422 7.474 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.882 -0.154 6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.745 1.764 7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.359 1.570 6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.721 2.049 4.903 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.198 2.022 5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.093 3.838 5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.730 5.357 6.091 1.00 0.00 H new ATOM 256 N TRP A 17 -11.302 -0.764 4.508 1.00 0.00 N ATOM 257 CA TRP A 17 -10.994 -1.214 3.117 1.00 0.00 C ATOM 258 C TRP A 17 -11.053 -0.017 2.170 1.00 0.00 C ATOM 259 O TRP A 17 -12.018 0.723 2.141 1.00 0.00 O ATOM 260 CB TRP A 17 -12.031 -2.258 2.678 1.00 0.00 C ATOM 261 CG TRP A 17 -11.782 -3.553 3.387 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.478 -4.000 4.461 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.790 -4.578 3.088 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.972 -5.232 4.840 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.931 -5.630 4.024 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.791 -4.694 2.106 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.110 -6.758 3.986 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.963 -5.828 2.065 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.122 -6.859 3.003 1.00 0.00 C ATOM 0 H TRP A 17 -12.297 -0.697 4.720 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.997 -1.653 3.090 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -13.036 -1.900 2.899 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.976 -2.407 1.600 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.293 -3.480 4.942 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.325 -5.779 5.626 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.659 -3.907 1.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.237 -7.548 4.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.199 -5.907 1.306 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.482 -7.728 2.965 1.00 0.00 H new ATOM 280 N ALA A 18 -10.019 0.162 1.392 1.00 0.00 N ATOM 281 CA ALA A 18 -9.980 1.301 0.427 1.00 0.00 C ATOM 282 C ALA A 18 -8.728 1.216 -0.449 1.00 0.00 C ATOM 283 O ALA A 18 -7.893 0.348 -0.292 1.00 0.00 O ATOM 284 CB ALA A 18 -9.964 2.626 1.188 1.00 0.00 C ATOM 0 H ALA A 18 -9.193 -0.436 1.383 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.867 1.247 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.936 3.453 0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.862 2.704 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.083 2.667 1.828 1.00 0.00 H new ATOM 290 N ASN A 19 -8.612 2.131 -1.378 1.00 0.00 N ATOM 291 CA ASN A 19 -7.440 2.157 -2.305 1.00 0.00 C ATOM 292 C ASN A 19 -6.430 3.185 -1.816 1.00 0.00 C ATOM 293 O ASN A 19 -6.775 4.187 -1.220 1.00 0.00 O ATOM 294 CB ASN A 19 -7.898 2.551 -3.716 1.00 0.00 C ATOM 295 CG ASN A 19 -8.877 1.507 -4.264 1.00 0.00 C ATOM 296 OD1 ASN A 19 -9.069 0.397 -3.611 1.00 0.00 O flip ATOM 297 ND2 ASN A 19 -9.475 1.711 -5.300 1.00 0.00 N flip ATOM 0 H ASN A 19 -9.293 2.874 -1.536 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.986 1.166 -2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.375 3.531 -3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.035 2.634 -4.377 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.326 2.580 -5.812 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.127 1.013 -5.658 1.00 0.00 H new ATOM 304 N LEU A 20 -5.175 2.937 -2.067 1.00 0.00 N ATOM 305 CA LEU A 20 -4.115 3.884 -1.629 1.00 0.00 C ATOM 306 C LEU A 20 -3.054 4.023 -2.710 1.00 0.00 C ATOM 307 O LEU A 20 -2.599 3.059 -3.292 1.00 0.00 O ATOM 308 CB LEU A 20 -3.470 3.372 -0.336 1.00 0.00 C ATOM 309 CG LEU A 20 -2.346 4.329 0.096 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.907 5.749 0.278 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.743 3.844 1.413 1.00 0.00 C ATOM 0 H LEU A 20 -4.837 2.111 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.565 4.860 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.220 3.297 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.069 2.370 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.575 4.347 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.105 6.421 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.331 6.096 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.683 5.738 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.946 4.522 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.516 3.822 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.335 2.842 1.279 1.00 0.00 H new ATOM 323 N LYS A 21 -2.649 5.237 -2.960 1.00 0.00 N ATOM 324 CA LYS A 21 -1.600 5.513 -3.982 1.00 0.00 C ATOM 325 C LYS A 21 -0.442 6.247 -3.322 1.00 0.00 C ATOM 326 O LYS A 21 -0.623 7.201 -2.587 1.00 0.00 O ATOM 327 CB LYS A 21 -2.182 6.386 -5.093 1.00 0.00 C ATOM 328 CG LYS A 21 -1.203 6.408 -6.271 1.00 0.00 C ATOM 329 CD LYS A 21 -1.692 7.388 -7.343 1.00 0.00 C ATOM 330 CE LYS A 21 -2.860 6.776 -8.125 1.00 0.00 C ATOM 331 NZ LYS A 21 -3.158 7.626 -9.311 1.00 0.00 N ATOM 0 H LYS A 21 -3.009 6.067 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.249 4.572 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.148 5.995 -5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.353 7.398 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.212 6.700 -5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.110 5.408 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.006 8.322 -6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.876 7.631 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.609 5.764 -8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.740 6.701 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.950 7.213 -9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.414 8.584 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.318 7.676 -9.922 1.00 0.00 H new ATOM 345 N ALA A 22 0.750 5.798 -3.583 1.00 0.00 N ATOM 346 CA ALA A 22 1.943 6.452 -2.979 1.00 0.00 C ATOM 347 C ALA A 22 3.191 6.081 -3.770 1.00 0.00 C ATOM 348 O ALA A 22 3.140 5.339 -4.730 1.00 0.00 O ATOM 349 CB ALA A 22 2.109 5.998 -1.530 1.00 0.00 C ATOM 0 H ALA A 22 0.952 5.004 -4.190 1.00 0.00 H new ATOM 0 HA ALA A 22 1.804 7.533 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.984 6.481 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.222 6.272 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.240 4.916 -1.500 1.00 0.00 H new ATOM 355 N LYS A 23 4.312 6.621 -3.371 1.00 0.00 N ATOM 356 CA LYS A 23 5.600 6.351 -4.082 1.00 0.00 C ATOM 357 C LYS A 23 6.557 5.587 -3.173 1.00 0.00 C ATOM 358 O LYS A 23 6.582 5.770 -1.972 1.00 0.00 O ATOM 359 CB LYS A 23 6.228 7.683 -4.493 1.00 0.00 C ATOM 360 CG LYS A 23 7.505 7.412 -5.290 1.00 0.00 C ATOM 361 CD LYS A 23 8.101 8.735 -5.769 1.00 0.00 C ATOM 362 CE LYS A 23 9.370 8.459 -6.574 1.00 0.00 C ATOM 363 NZ LYS A 23 9.038 7.607 -7.752 1.00 0.00 N ATOM 0 H LYS A 23 4.392 7.248 -2.570 1.00 0.00 H new ATOM 0 HA LYS A 23 5.405 5.744 -4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.525 8.260 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.456 8.279 -3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.227 6.880 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.284 6.771 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.377 9.271 -6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.330 9.373 -4.916 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.815 9.398 -6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.109 7.960 -5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.859 7.559 -8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.793 6.649 -7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.229 8.018 -8.261 1.00 0.00 H new ATOM 377 N VAL A 24 7.337 4.717 -3.762 1.00 0.00 N ATOM 378 CA VAL A 24 8.310 3.899 -2.975 1.00 0.00 C ATOM 379 C VAL A 24 9.595 4.687 -2.737 1.00 0.00 C ATOM 380 O VAL A 24 10.383 4.908 -3.634 1.00 0.00 O ATOM 381 CB VAL A 24 8.616 2.605 -3.737 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.665 1.802 -2.966 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.330 1.773 -3.868 1.00 0.00 C ATOM 0 H VAL A 24 7.341 4.536 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 24 7.874 3.654 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 24 8.996 2.845 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.886 0.880 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.576 2.393 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.282 1.560 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.546 0.852 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.951 1.530 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.579 2.346 -4.412 1.00 0.00 H new ATOM 393 N ILE A 25 9.794 5.107 -1.517 1.00 0.00 N ATOM 394 CA ILE A 25 11.015 5.888 -1.154 1.00 0.00 C ATOM 395 C ILE A 25 12.085 4.937 -0.622 1.00 0.00 C ATOM 396 O ILE A 25 13.230 4.997 -1.011 1.00 0.00 O ATOM 397 CB ILE A 25 10.667 6.896 -0.053 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.455 7.739 -0.477 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.870 7.806 0.196 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.702 8.374 -1.850 1.00 0.00 C ATOM 0 H ILE A 25 9.152 4.940 -0.742 1.00 0.00 H new ATOM 0 HA ILE A 25 11.383 6.411 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 25 10.419 6.360 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.563 7.113 -0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.268 8.517 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.627 8.525 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.723 7.204 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.119 8.339 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.835 8.968 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.582 9.016 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.866 7.590 -2.589 1.00 0.00 H new ATOM 412 N GLN A 26 11.717 4.058 0.274 1.00 0.00 N ATOM 413 CA GLN A 26 12.712 3.099 0.843 1.00 0.00 C ATOM 414 C GLN A 26 12.026 1.783 1.192 1.00 0.00 C ATOM 415 O GLN A 26 10.907 1.743 1.677 1.00 0.00 O ATOM 416 CB GLN A 26 13.349 3.696 2.099 1.00 0.00 C ATOM 417 CG GLN A 26 14.408 2.726 2.631 1.00 0.00 C ATOM 418 CD GLN A 26 15.216 3.384 3.754 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.073 4.659 3.995 1.00 0.00 O flip ATOM 420 NE2 GLN A 26 15.991 2.728 4.418 1.00 0.00 N flip ATOM 0 H GLN A 26 10.769 3.962 0.637 1.00 0.00 H new ATOM 0 HA GLN A 26 13.488 2.912 0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.803 4.660 1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.588 3.875 2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.928 1.820 3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.074 2.425 1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.105 1.732 4.232 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.528 3.173 5.162 1.00 0.00 H new ATOM 429 N LEU A 27 12.704 0.699 0.929 1.00 0.00 N ATOM 430 CA LEU A 27 12.140 -0.652 1.209 1.00 0.00 C ATOM 431 C LEU A 27 13.199 -1.541 1.847 1.00 0.00 C ATOM 432 O LEU A 27 14.371 -1.472 1.533 1.00 0.00 O ATOM 433 CB LEU A 27 11.674 -1.299 -0.098 1.00 0.00 C ATOM 434 CG LEU A 27 12.748 -1.113 -1.194 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.690 -2.297 -2.169 1.00 0.00 C ATOM 436 CD2 LEU A 27 12.493 0.199 -1.964 1.00 0.00 C ATOM 0 H LEU A 27 13.641 0.693 0.525 1.00 0.00 H new ATOM 0 HA LEU A 27 11.297 -0.542 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.484 -2.361 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.734 -0.851 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 27 13.732 -1.068 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.447 -2.168 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.879 -3.224 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.703 -2.341 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.254 0.323 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.508 0.162 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.536 1.041 -1.273 1.00 0.00 H new ATOM 448 N TRP A 28 12.766 -2.394 2.732 1.00 0.00 N ATOM 449 CA TRP A 28 13.693 -3.340 3.419 1.00 0.00 C ATOM 450 C TRP A 28 13.354 -4.768 3.003 1.00 0.00 C ATOM 451 O TRP A 28 12.202 -5.129 2.836 1.00 0.00 O ATOM 452 CB TRP A 28 13.545 -3.202 4.934 1.00 0.00 C ATOM 453 CG TRP A 28 14.048 -1.861 5.364 1.00 0.00 C ATOM 454 CD1 TRP A 28 15.290 -1.383 5.124 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.342 -0.821 6.096 1.00 0.00 C ATOM 456 NE1 TRP A 28 15.393 -0.114 5.667 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.218 0.277 6.277 1.00 0.00 C ATOM 458 CE3 TRP A 28 12.041 -0.725 6.621 1.00 0.00 C ATOM 459 CZ2 TRP A 28 13.814 1.431 6.950 1.00 0.00 C ATOM 460 CZ3 TRP A 28 11.631 0.434 7.299 1.00 0.00 C ATOM 461 CH2 TRP A 28 12.517 1.509 7.465 1.00 0.00 C ATOM 0 H TRP A 28 11.790 -2.478 3.015 1.00 0.00 H new ATOM 0 HA TRP A 28 14.720 -3.109 3.137 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.500 -3.319 5.220 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.104 -3.991 5.438 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.073 -1.906 4.595 1.00 0.00 H new ATOM 0 HE1 TRP A 28 16.234 0.462 5.622 1.00 0.00 H new ATOM 0 HE3 TRP A 28 11.352 -1.548 6.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 14.498 2.258 7.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 10.628 0.498 7.695 1.00 0.00 H new ATOM 0 HH2 TRP A 28 12.197 2.397 7.991 1.00 0.00 H new ATOM 472 N GLU A 29 14.363 -5.574 2.827 1.00 0.00 N ATOM 473 CA GLU A 29 14.147 -6.984 2.409 1.00 0.00 C ATOM 474 C GLU A 29 13.761 -7.828 3.619 1.00 0.00 C ATOM 475 O GLU A 29 14.506 -7.957 4.568 1.00 0.00 O ATOM 476 CB GLU A 29 15.433 -7.540 1.777 1.00 0.00 C ATOM 477 CG GLU A 29 15.157 -8.949 1.238 1.00 0.00 C ATOM 478 CD GLU A 29 16.398 -9.512 0.535 1.00 0.00 C ATOM 479 OE1 GLU A 29 17.465 -8.946 0.705 1.00 0.00 O ATOM 480 OE2 GLU A 29 16.257 -10.507 -0.157 1.00 0.00 O ATOM 0 H GLU A 29 15.340 -5.311 2.957 1.00 0.00 H new ATOM 0 HA GLU A 29 13.341 -7.021 1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.768 -6.888 0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 29 16.233 -7.570 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.867 -9.607 2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.320 -8.920 0.541 1.00 0.00 H new ATOM 547 N SER A 34 7.350 -14.558 7.437 1.00 0.00 N ATOM 548 CA SER A 34 6.200 -14.626 6.486 1.00 0.00 C ATOM 549 C SER A 34 6.080 -13.289 5.753 1.00 0.00 C ATOM 550 O SER A 34 5.293 -13.141 4.842 1.00 0.00 O ATOM 551 CB SER A 34 4.907 -14.914 7.265 1.00 0.00 C ATOM 552 OG SER A 34 4.862 -16.296 7.598 1.00 0.00 O ATOM 0 HA SER A 34 6.364 -15.424 5.762 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.870 -14.308 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.038 -14.643 6.665 1.00 0.00 H new ATOM 0 HG SER A 34 4.040 -16.486 8.097 1.00 0.00 H new ATOM 558 N ILE A 35 6.864 -12.318 6.148 1.00 0.00 N ATOM 559 CA ILE A 35 6.814 -10.980 5.482 1.00 0.00 C ATOM 560 C ILE A 35 7.855 -10.926 4.369 1.00 0.00 C ATOM 561 O ILE A 35 9.043 -11.054 4.595 1.00 0.00 O ATOM 562 CB ILE A 35 7.109 -9.881 6.507 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.986 -9.839 7.547 1.00 0.00 C ATOM 564 CG2 ILE A 35 7.196 -8.529 5.791 1.00 0.00 C ATOM 565 CD1 ILE A 35 6.395 -8.926 8.703 1.00 0.00 C ATOM 0 H ILE A 35 7.541 -12.395 6.907 1.00 0.00 H new ATOM 0 HA ILE A 35 5.820 -10.825 5.061 1.00 0.00 H new ATOM 0 HB ILE A 35 8.056 -10.090 7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.066 -9.475 7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.782 -10.843 7.918 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.406 -7.745 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.995 -8.560 5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.249 -8.319 5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.596 -8.896 9.443 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.304 -9.310 9.166 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.577 -7.920 8.325 1.00 0.00 H new ATOM 577 N SER A 36 7.399 -10.730 3.167 1.00 0.00 N ATOM 578 CA SER A 36 8.321 -10.654 2.006 1.00 0.00 C ATOM 579 C SER A 36 9.107 -9.352 2.065 1.00 0.00 C ATOM 580 O SER A 36 10.318 -9.344 2.047 1.00 0.00 O ATOM 581 CB SER A 36 7.501 -10.682 0.711 1.00 0.00 C ATOM 582 OG SER A 36 8.332 -11.118 -0.356 1.00 0.00 O ATOM 0 H SER A 36 6.412 -10.618 2.937 1.00 0.00 H new ATOM 0 HA SER A 36 9.009 -11.499 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.648 -11.351 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.103 -9.690 0.496 1.00 0.00 H new ATOM 0 HG SER A 36 7.813 -11.140 -1.187 1.00 0.00 H new ATOM 588 N GLN A 37 8.418 -8.244 2.120 1.00 0.00 N ATOM 589 CA GLN A 37 9.113 -6.927 2.164 1.00 0.00 C ATOM 590 C GLN A 37 8.305 -5.925 2.982 1.00 0.00 C ATOM 591 O GLN A 37 7.090 -5.950 3.011 1.00 0.00 O ATOM 592 CB GLN A 37 9.292 -6.395 0.739 1.00 0.00 C ATOM 593 CG GLN A 37 10.364 -7.222 0.027 1.00 0.00 C ATOM 594 CD GLN A 37 10.585 -6.682 -1.383 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.688 -6.702 -2.200 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.755 -6.207 -1.706 1.00 0.00 N ATOM 0 H GLN A 37 7.399 -8.195 2.136 1.00 0.00 H new ATOM 0 HA GLN A 37 10.088 -7.060 2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.349 -6.453 0.195 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.582 -5.345 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.297 -7.186 0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.059 -8.267 -0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.507 -6.191 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.919 -5.851 -2.648 1.00 0.00 H new ATOM 605 N VAL A 38 8.996 -5.038 3.640 1.00 0.00 N ATOM 606 CA VAL A 38 8.327 -3.996 4.471 1.00 0.00 C ATOM 607 C VAL A 38 9.097 -2.684 4.353 1.00 0.00 C ATOM 608 O VAL A 38 10.312 -2.661 4.289 1.00 0.00 O ATOM 609 CB VAL A 38 8.294 -4.450 5.933 1.00 0.00 C ATOM 610 CG1 VAL A 38 9.693 -4.886 6.380 1.00 0.00 C ATOM 611 CG2 VAL A 38 7.815 -3.292 6.816 1.00 0.00 C ATOM 0 H VAL A 38 10.015 -4.989 3.638 1.00 0.00 H new ATOM 0 HA VAL A 38 7.306 -3.848 4.120 1.00 0.00 H new ATOM 0 HB VAL A 38 7.610 -5.293 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.659 -5.207 7.421 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.033 -5.713 5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.384 -4.049 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.791 -3.614 7.857 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.498 -2.449 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.815 -2.989 6.507 1.00 0.00 H new ATOM 621 N GLY A 39 8.390 -1.590 4.323 1.00 0.00 N ATOM 622 CA GLY A 39 9.069 -0.268 4.208 1.00 0.00 C ATOM 623 C GLY A 39 8.068 0.865 4.390 1.00 0.00 C ATOM 624 O GLY A 39 7.036 0.715 5.018 1.00 0.00 O ATOM 0 H GLY A 39 7.372 -1.553 4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.855 -0.190 4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.549 -0.183 3.233 1.00 0.00 H new ATOM 628 N LEU A 40 8.383 2.010 3.840 1.00 0.00 N ATOM 629 CA LEU A 40 7.483 3.196 3.963 1.00 0.00 C ATOM 630 C LEU A 40 7.295 3.858 2.606 1.00 0.00 C ATOM 631 O LEU A 40 8.169 3.854 1.764 1.00 0.00 O ATOM 632 CB LEU A 40 8.082 4.206 4.944 1.00 0.00 C ATOM 633 CG LEU A 40 9.544 4.540 4.555 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.842 6.005 4.893 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.508 3.635 5.337 1.00 0.00 C ATOM 0 H LEU A 40 9.235 2.175 3.305 1.00 0.00 H new ATOM 0 HA LEU A 40 6.514 2.861 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.483 5.117 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.052 3.801 5.955 1.00 0.00 H new ATOM 0 HG LEU A 40 9.677 4.375 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.871 6.240 4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.162 6.652 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.705 6.167 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.535 3.873 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.373 3.798 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.301 2.592 5.100 1.00 0.00 H new ATOM 647 N LEU A 41 6.133 4.419 2.397 1.00 0.00 N ATOM 648 CA LEU A 41 5.816 5.089 1.098 1.00 0.00 C ATOM 649 C LEU A 41 5.567 6.580 1.342 1.00 0.00 C ATOM 650 O LEU A 41 4.825 6.969 2.224 1.00 0.00 O ATOM 651 CB LEU A 41 4.561 4.446 0.499 1.00 0.00 C ATOM 652 CG LEU A 41 4.730 2.921 0.441 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.411 2.271 0.013 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.823 2.556 -0.569 1.00 0.00 C ATOM 0 H LEU A 41 5.377 4.442 3.082 1.00 0.00 H new ATOM 0 HA LEU A 41 6.651 4.974 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.689 4.701 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.383 4.839 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 41 5.013 2.558 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.535 1.189 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.632 2.521 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.126 2.640 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.938 1.473 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.544 2.925 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.766 3.011 -0.265 1.00 0.00 H new ATOM 666 N GLY A 42 6.209 7.406 0.561 1.00 0.00 N ATOM 667 CA GLY A 42 6.067 8.887 0.709 1.00 0.00 C ATOM 668 C GLY A 42 4.822 9.398 -0.013 1.00 0.00 C ATOM 669 O GLY A 42 4.277 8.750 -0.883 1.00 0.00 O ATOM 0 H GLY A 42 6.838 7.113 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.009 9.145 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.952 9.382 0.308 1.00 0.00 H new ATOM 673 N ASP A 43 4.388 10.580 0.349 1.00 0.00 N ATOM 674 CA ASP A 43 3.183 11.183 -0.295 1.00 0.00 C ATOM 675 C ASP A 43 2.982 12.620 0.207 1.00 0.00 C ATOM 676 O ASP A 43 3.337 12.973 1.316 1.00 0.00 O ATOM 677 CB ASP A 43 1.947 10.347 0.050 1.00 0.00 C ATOM 678 CG ASP A 43 0.742 10.821 -0.772 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.868 11.818 -1.464 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.286 10.170 -0.699 1.00 0.00 O ATOM 0 H ASP A 43 4.822 11.157 1.070 1.00 0.00 H new ATOM 0 HA ASP A 43 3.327 11.198 -1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.143 9.294 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.727 10.432 1.114 1.00 0.00 H new ATOM 685 N GLU A 44 2.411 13.437 -0.637 1.00 0.00 N ATOM 686 CA GLU A 44 2.148 14.864 -0.294 1.00 0.00 C ATOM 687 C GLU A 44 1.243 14.925 0.933 1.00 0.00 C ATOM 688 O GLU A 44 1.138 15.940 1.587 1.00 0.00 O ATOM 689 CB GLU A 44 1.450 15.544 -1.484 1.00 0.00 C ATOM 690 CG GLU A 44 2.434 15.651 -2.658 1.00 0.00 C ATOM 691 CD GLU A 44 1.746 16.275 -3.880 1.00 0.00 C ATOM 692 OE1 GLU A 44 0.570 16.590 -3.786 1.00 0.00 O ATOM 693 OE2 GLU A 44 2.413 16.427 -4.892 1.00 0.00 O ATOM 0 H GLU A 44 2.109 13.167 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 44 3.086 15.376 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.572 14.970 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.100 16.536 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.292 16.257 -2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.814 14.662 -2.913 1.00 0.00 H new ATOM 700 N THR A 45 0.583 13.838 1.243 1.00 0.00 N ATOM 701 CA THR A 45 -0.330 13.815 2.425 1.00 0.00 C ATOM 702 C THR A 45 0.445 13.328 3.645 1.00 0.00 C ATOM 703 O THR A 45 -0.018 13.429 4.761 1.00 0.00 O ATOM 704 CB THR A 45 -1.500 12.862 2.153 1.00 0.00 C ATOM 705 OG1 THR A 45 -1.026 11.523 2.092 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.166 13.230 0.827 1.00 0.00 C ATOM 0 H THR A 45 0.638 12.961 0.725 1.00 0.00 H new ATOM 0 HA THR A 45 -0.716 14.818 2.608 1.00 0.00 H new ATOM 0 HB THR A 45 -2.228 12.950 2.960 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.679 10.966 1.618 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.997 12.551 0.636 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.538 14.253 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.438 13.148 0.019 1.00 0.00 H new ATOM 714 N GLY A 46 1.632 12.815 3.447 1.00 0.00 N ATOM 715 CA GLY A 46 2.452 12.341 4.607 1.00 0.00 C ATOM 716 C GLY A 46 3.177 11.040 4.273 1.00 0.00 C ATOM 717 O GLY A 46 3.383 10.690 3.127 1.00 0.00 O ATOM 0 H GLY A 46 2.071 12.703 2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.179 13.106 4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.808 12.190 5.474 1.00 0.00 H new ATOM 721 N ILE A 47 3.577 10.331 5.299 1.00 0.00 N ATOM 722 CA ILE A 47 4.315 9.043 5.118 1.00 0.00 C ATOM 723 C ILE A 47 3.600 7.920 5.872 1.00 0.00 C ATOM 724 O ILE A 47 3.229 8.056 7.022 1.00 0.00 O ATOM 725 CB ILE A 47 5.738 9.196 5.663 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.476 10.261 4.845 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.471 7.858 5.541 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.799 10.619 5.529 1.00 0.00 C ATOM 0 H ILE A 47 3.420 10.595 6.272 1.00 0.00 H new ATOM 0 HA ILE A 47 4.350 8.794 4.057 1.00 0.00 H new ATOM 0 HB ILE A 47 5.704 9.497 6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.666 9.891 3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.855 11.151 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.485 7.962 5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.940 7.098 6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.511 7.559 4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.319 11.377 4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.599 11.007 6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.422 9.728 5.605 1.00 0.00 H new ATOM 740 N ILE A 48 3.414 6.805 5.212 1.00 0.00 N ATOM 741 CA ILE A 48 2.728 5.632 5.842 1.00 0.00 C ATOM 742 C ILE A 48 3.541 4.356 5.620 1.00 0.00 C ATOM 743 O ILE A 48 4.224 4.193 4.627 1.00 0.00 O ATOM 744 CB ILE A 48 1.339 5.454 5.228 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.639 4.276 5.917 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.464 5.169 3.727 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.839 4.247 5.523 1.00 0.00 C ATOM 0 H ILE A 48 3.713 6.654 4.248 1.00 0.00 H new ATOM 0 HA ILE A 48 2.638 5.818 6.912 1.00 0.00 H new ATOM 0 HB ILE A 48 0.758 6.366 5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.119 3.340 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.734 4.367 6.999 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.471 5.043 3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.968 6.003 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.042 4.257 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.330 3.408 6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.316 5.178 5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.925 4.134 4.442 1.00 0.00 H new ATOM 759 N LYS A 49 3.462 3.457 6.565 1.00 0.00 N ATOM 760 CA LYS A 49 4.207 2.165 6.480 1.00 0.00 C ATOM 761 C LYS A 49 3.328 1.093 5.852 1.00 0.00 C ATOM 762 O LYS A 49 2.117 1.112 5.965 1.00 0.00 O ATOM 763 CB LYS A 49 4.620 1.723 7.885 1.00 0.00 C ATOM 764 CG LYS A 49 5.803 2.569 8.361 1.00 0.00 C ATOM 765 CD LYS A 49 6.115 2.240 9.823 1.00 0.00 C ATOM 766 CE LYS A 49 6.755 0.852 9.923 1.00 0.00 C ATOM 767 NZ LYS A 49 7.379 0.685 11.263 1.00 0.00 N ATOM 0 H LYS A 49 2.901 3.566 7.410 1.00 0.00 H new ATOM 0 HA LYS A 49 5.093 2.306 5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.782 1.832 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.893 0.668 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.677 2.373 7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.570 3.629 8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.788 2.990 10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.200 2.271 10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.002 0.081 9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.507 0.730 9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.813 -0.258 11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.110 1.413 11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.651 0.783 11.999 1.00 0.00 H new ATOM 781 N PHE A 50 3.943 0.148 5.191 1.00 0.00 N ATOM 782 CA PHE A 50 3.166 -0.948 4.543 1.00 0.00 C ATOM 783 C PHE A 50 3.924 -2.265 4.663 1.00 0.00 C ATOM 784 O PHE A 50 5.142 -2.305 4.760 1.00 0.00 O ATOM 785 CB PHE A 50 2.929 -0.616 3.063 1.00 0.00 C ATOM 786 CG PHE A 50 4.220 -0.694 2.257 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.264 0.210 2.498 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.359 -1.661 1.247 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.440 0.147 1.734 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.535 -1.722 0.488 1.00 0.00 C ATOM 791 CZ PHE A 50 6.575 -0.820 0.732 1.00 0.00 C ATOM 0 H PHE A 50 4.954 0.088 5.072 1.00 0.00 H new ATOM 0 HA PHE A 50 2.204 -1.045 5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.197 -1.308 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.506 0.385 2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.163 0.956 3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.557 -2.359 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.242 0.846 1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.638 -2.467 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.482 -0.870 0.147 1.00 0.00 H new ATOM 801 N THR A 51 3.191 -3.348 4.657 1.00 0.00 N ATOM 802 CA THR A 51 3.810 -4.702 4.767 1.00 0.00 C ATOM 803 C THR A 51 3.260 -5.595 3.664 1.00 0.00 C ATOM 804 O THR A 51 2.068 -5.678 3.440 1.00 0.00 O ATOM 805 CB THR A 51 3.494 -5.312 6.132 1.00 0.00 C ATOM 806 OG1 THR A 51 3.986 -4.455 7.151 1.00 0.00 O ATOM 807 CG2 THR A 51 4.176 -6.677 6.237 1.00 0.00 C ATOM 0 H THR A 51 2.174 -3.351 4.579 1.00 0.00 H new ATOM 0 HA THR A 51 4.892 -4.615 4.663 1.00 0.00 H new ATOM 0 HB THR A 51 2.417 -5.431 6.247 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.784 -4.841 8.029 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.956 -7.120 7.208 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.805 -7.331 5.448 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.254 -6.554 6.130 1.00 0.00 H new ATOM 815 N ILE A 52 4.139 -6.256 2.967 1.00 0.00 N ATOM 816 CA ILE A 52 3.721 -7.154 1.853 1.00 0.00 C ATOM 817 C ILE A 52 3.725 -8.603 2.321 1.00 0.00 C ATOM 818 O ILE A 52 4.726 -9.130 2.762 1.00 0.00 O ATOM 819 CB ILE A 52 4.692 -6.989 0.684 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.571 -5.563 0.132 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.346 -8.002 -0.410 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.735 -5.268 -0.820 1.00 0.00 C ATOM 0 H ILE A 52 5.146 -6.212 3.124 1.00 0.00 H new ATOM 0 HA ILE A 52 2.713 -6.889 1.535 1.00 0.00 H new ATOM 0 HB ILE A 52 5.714 -7.163 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.623 -5.447 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.571 -4.846 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.037 -7.886 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.427 -9.012 -0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.327 -7.830 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.640 -4.253 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.678 -5.365 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.715 -5.976 -1.649 1.00 0.00 H new ATOM 834 N TRP A 53 2.594 -9.247 2.221 1.00 0.00 N ATOM 835 CA TRP A 53 2.483 -10.676 2.646 1.00 0.00 C ATOM 836 C TRP A 53 2.607 -11.580 1.420 1.00 0.00 C ATOM 837 O TRP A 53 1.989 -11.354 0.398 1.00 0.00 O ATOM 838 CB TRP A 53 1.126 -10.907 3.321 1.00 0.00 C ATOM 839 CG TRP A 53 1.021 -10.062 4.552 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.270 -8.940 4.664 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.669 -10.249 5.844 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.415 -8.428 5.940 1.00 0.00 N ATOM 843 CE2 TRP A 53 1.270 -9.198 6.706 1.00 0.00 C ATOM 844 CE3 TRP A 53 2.559 -11.216 6.347 1.00 0.00 C ATOM 845 CZ2 TRP A 53 1.733 -9.113 8.020 1.00 0.00 C ATOM 846 CZ3 TRP A 53 3.027 -11.133 7.669 1.00 0.00 C ATOM 847 CH2 TRP A 53 2.617 -10.084 8.504 1.00 0.00 C ATOM 0 H TRP A 53 1.731 -8.841 1.859 1.00 0.00 H new ATOM 0 HA TRP A 53 3.280 -10.909 3.352 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.319 -10.661 2.630 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.013 -11.960 3.581 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.343 -8.514 3.883 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.052 -7.585 6.275 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.884 -12.027 5.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.411 -8.304 8.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.708 -11.883 8.045 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.983 -10.025 9.519 1.00 0.00 H new ATOM 858 N LYS A 54 3.405 -12.606 1.527 1.00 0.00 N ATOM 859 CA LYS A 54 3.597 -13.554 0.386 1.00 0.00 C ATOM 860 C LYS A 54 2.558 -14.673 0.461 1.00 0.00 C ATOM 861 O LYS A 54 2.890 -15.841 0.445 1.00 0.00 O ATOM 862 CB LYS A 54 5.004 -14.154 0.460 1.00 0.00 C ATOM 863 CG LYS A 54 5.280 -14.691 1.869 1.00 0.00 C ATOM 864 CD LYS A 54 6.581 -15.505 1.858 1.00 0.00 C ATOM 865 CE LYS A 54 7.776 -14.576 1.623 1.00 0.00 C ATOM 866 NZ LYS A 54 9.028 -15.275 2.017 1.00 0.00 N ATOM 0 H LYS A 54 3.940 -12.833 2.365 1.00 0.00 H new ATOM 0 HA LYS A 54 3.476 -13.018 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.102 -14.958 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.744 -13.397 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.361 -13.865 2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.450 -15.315 2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.699 -16.031 2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.539 -16.263 1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.824 -14.284 0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.659 -13.661 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.841 -14.646 1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.980 -15.532 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.140 -16.136 1.445 1.00 0.00 H new ATOM 919 N LEU A 58 3.176 -11.813 -5.222 1.00 0.00 N ATOM 920 CA LEU A 58 3.082 -10.425 -5.758 1.00 0.00 C ATOM 921 C LEU A 58 4.463 -10.007 -6.282 1.00 0.00 C ATOM 922 O LEU A 58 5.480 -10.433 -5.764 1.00 0.00 O ATOM 923 CB LEU A 58 2.647 -9.464 -4.635 1.00 0.00 C ATOM 924 CG LEU A 58 1.545 -10.111 -3.793 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.012 -9.096 -2.775 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.401 -10.560 -4.706 1.00 0.00 C ATOM 0 HA LEU A 58 2.349 -10.387 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.501 -9.218 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.287 -8.529 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 58 1.954 -10.974 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.227 -9.559 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.824 -8.774 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.605 -8.232 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.384 -11.021 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.005 -9.696 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.776 -11.283 -5.430 1.00 0.00 H new ATOM 938 N PRO A 59 4.504 -9.185 -7.304 1.00 0.00 N ATOM 939 CA PRO A 59 5.787 -8.711 -7.897 1.00 0.00 C ATOM 940 C PRO A 59 6.553 -7.776 -6.968 1.00 0.00 C ATOM 941 O PRO A 59 5.986 -7.107 -6.129 1.00 0.00 O ATOM 942 CB PRO A 59 5.358 -7.984 -9.180 1.00 0.00 C ATOM 943 CG PRO A 59 3.945 -7.563 -8.935 1.00 0.00 C ATOM 944 CD PRO A 59 3.341 -8.612 -8.003 1.00 0.00 C ATOM 0 HA PRO A 59 6.473 -9.538 -8.082 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.997 -7.123 -9.378 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.429 -8.640 -10.047 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.907 -6.572 -8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.388 -7.507 -9.870 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.636 -8.164 -7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.796 -9.374 -8.560 1.00 0.00 H new ATOM 952 N LEU A 60 7.844 -7.739 -7.124 1.00 0.00 N ATOM 953 CA LEU A 60 8.683 -6.864 -6.265 1.00 0.00 C ATOM 954 C LEU A 60 8.491 -5.408 -6.662 1.00 0.00 C ATOM 955 O LEU A 60 8.342 -5.077 -7.822 1.00 0.00 O ATOM 956 CB LEU A 60 10.159 -7.245 -6.424 1.00 0.00 C ATOM 957 CG LEU A 60 10.348 -8.739 -6.130 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.817 -9.114 -6.339 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.944 -9.040 -4.679 1.00 0.00 C ATOM 0 H LEU A 60 8.359 -8.283 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 60 8.383 -6.996 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.495 -7.019 -7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.772 -6.652 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 60 9.721 -9.322 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.955 -10.175 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.102 -8.906 -7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.442 -8.528 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.080 -10.102 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.567 -8.458 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.898 -8.774 -4.530 1.00 0.00 H new ATOM 971 N LEU A 61 8.492 -4.543 -5.690 1.00 0.00 N ATOM 972 CA LEU A 61 8.308 -3.089 -5.959 1.00 0.00 C ATOM 973 C LEU A 61 9.659 -2.444 -6.243 1.00 0.00 C ATOM 974 O LEU A 61 10.637 -2.684 -5.563 1.00 0.00 O ATOM 975 CB LEU A 61 7.665 -2.416 -4.738 1.00 0.00 C ATOM 976 CG LEU A 61 6.155 -2.679 -4.736 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.891 -4.177 -4.568 1.00 0.00 C ATOM 978 CD2 LEU A 61 5.509 -1.914 -3.578 1.00 0.00 C ATOM 0 H LEU A 61 8.614 -4.783 -4.706 1.00 0.00 H new ATOM 0 HA LEU A 61 7.659 -2.964 -6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.112 -2.801 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.857 -1.343 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 61 5.728 -2.343 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.816 -4.359 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.351 -4.722 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.318 -4.518 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.435 -2.099 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.939 -2.251 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.693 -0.847 -3.700 1.00 0.00 H new ATOM 990 N GLU A 62 9.704 -1.622 -7.253 1.00 0.00 N ATOM 991 CA GLU A 62 10.973 -0.934 -7.623 1.00 0.00 C ATOM 992 C GLU A 62 11.030 0.432 -6.953 1.00 0.00 C ATOM 993 O GLU A 62 10.033 1.104 -6.780 1.00 0.00 O ATOM 994 CB GLU A 62 11.035 -0.754 -9.140 1.00 0.00 C ATOM 995 CG GLU A 62 12.427 -0.247 -9.535 1.00 0.00 C ATOM 996 CD GLU A 62 13.453 -1.365 -9.338 1.00 0.00 C ATOM 997 OE1 GLU A 62 13.042 -2.484 -9.082 1.00 0.00 O ATOM 998 OE2 GLU A 62 14.634 -1.081 -9.455 1.00 0.00 O ATOM 0 H GLU A 62 8.906 -1.394 -7.846 1.00 0.00 H new ATOM 0 HA GLU A 62 11.818 -1.538 -7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.825 -1.700 -9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.272 -0.047 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.425 0.080 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.696 0.618 -8.929 1.00 0.00 H new ATOM 1005 N GLN A 63 12.206 0.831 -6.571 1.00 0.00 N ATOM 1006 CA GLN A 63 12.381 2.142 -5.899 1.00 0.00 C ATOM 1007 C GLN A 63 12.376 3.269 -6.927 1.00 0.00 C ATOM 1008 O GLN A 63 12.887 3.137 -8.020 1.00 0.00 O ATOM 1009 CB GLN A 63 13.711 2.148 -5.132 1.00 0.00 C ATOM 1010 CG GLN A 63 13.789 3.414 -4.273 1.00 0.00 C ATOM 1011 CD GLN A 63 15.075 3.411 -3.444 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.686 2.380 -3.250 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.512 4.534 -2.941 1.00 0.00 N ATOM 0 H GLN A 63 13.065 0.296 -6.698 1.00 0.00 H new ATOM 0 HA GLN A 63 11.556 2.298 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.786 1.261 -4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.548 2.115 -5.830 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.761 4.297 -4.911 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.923 3.469 -3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.998 5.400 -3.104 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.367 4.545 -2.385 1.00 0.00 H new ATOM 1022 N GLY A 64 11.808 4.379 -6.555 1.00 0.00 N ATOM 1023 CA GLY A 64 11.758 5.560 -7.463 1.00 0.00 C ATOM 1024 C GLY A 64 10.600 5.415 -8.446 1.00 0.00 C ATOM 1025 O GLY A 64 10.605 6.000 -9.508 1.00 0.00 O ATOM 0 H GLY A 64 11.369 4.522 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.638 6.473 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.698 5.651 -8.007 1.00 0.00 H new ATOM 1029 N GLU A 65 9.602 4.646 -8.097 1.00 0.00 N ATOM 1030 CA GLU A 65 8.426 4.459 -9.004 1.00 0.00 C ATOM 1031 C GLU A 65 7.126 4.530 -8.201 1.00 0.00 C ATOM 1032 O GLU A 65 7.049 4.105 -7.059 1.00 0.00 O ATOM 1033 CB GLU A 65 8.519 3.099 -9.699 1.00 0.00 C ATOM 1034 CG GLU A 65 9.675 3.116 -10.702 1.00 0.00 C ATOM 1035 CD GLU A 65 9.783 1.754 -11.391 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.950 0.906 -11.120 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.697 1.586 -12.182 1.00 0.00 O ATOM 0 H GLU A 65 9.549 4.135 -7.216 1.00 0.00 H new ATOM 0 HA GLU A 65 8.430 5.252 -9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.675 2.312 -8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.583 2.875 -10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.513 3.898 -11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.609 3.350 -10.191 1.00 0.00 H new ATOM 1044 N SER A 66 6.104 5.079 -8.805 1.00 0.00 N ATOM 1045 CA SER A 66 4.784 5.206 -8.128 1.00 0.00 C ATOM 1046 C SER A 66 3.938 3.962 -8.384 1.00 0.00 C ATOM 1047 O SER A 66 3.990 3.360 -9.439 1.00 0.00 O ATOM 1048 CB SER A 66 4.058 6.443 -8.656 1.00 0.00 C ATOM 1049 OG SER A 66 4.115 6.458 -10.076 1.00 0.00 O ATOM 0 H SER A 66 6.132 5.450 -9.755 1.00 0.00 H new ATOM 0 HA SER A 66 4.942 5.307 -7.054 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.020 6.438 -8.323 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.517 7.346 -8.254 1.00 0.00 H new ATOM 0 HG SER A 66 3.779 7.317 -10.408 1.00 0.00 H new ATOM 1055 N TYR A 67 3.151 3.586 -7.411 1.00 0.00 N ATOM 1056 CA TYR A 67 2.278 2.382 -7.550 1.00 0.00 C ATOM 1057 C TYR A 67 0.889 2.664 -6.976 1.00 0.00 C ATOM 1058 O TYR A 67 0.707 3.483 -6.080 1.00 0.00 O ATOM 1059 CB TYR A 67 2.901 1.205 -6.799 1.00 0.00 C ATOM 1060 CG TYR A 67 4.211 0.828 -7.450 1.00 0.00 C ATOM 1061 CD1 TYR A 67 4.219 -0.015 -8.566 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.415 1.325 -6.938 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.433 -0.362 -9.172 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.629 0.979 -7.542 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.637 0.135 -8.660 1.00 0.00 C ATOM 1066 OH TYR A 67 7.834 -0.208 -9.257 1.00 0.00 O ATOM 0 H TYR A 67 3.075 4.067 -6.515 1.00 0.00 H new ATOM 0 HA TYR A 67 2.186 2.139 -8.608 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.065 1.472 -5.755 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.220 0.354 -6.807 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.289 -0.398 -8.960 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.407 1.976 -6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.440 -1.013 -10.034 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.558 1.362 -7.147 1.00 0.00 H new ATOM 0 HH TYR A 67 7.861 0.153 -10.168 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.090 1.970 -7.502 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.502 2.133 -7.043 1.00 0.00 C ATOM 1078 C LEU A 68 -1.952 0.872 -6.310 1.00 0.00 C ATOM 1079 O LEU A 68 -1.950 -0.217 -6.851 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.399 2.376 -8.266 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.878 2.373 -7.847 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.109 3.388 -6.725 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.752 2.738 -9.052 1.00 0.00 C ATOM 0 H LEU A 68 0.035 1.283 -8.246 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.575 2.981 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.146 3.330 -8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.224 1.603 -9.014 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.143 1.378 -7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.160 3.378 -6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.493 3.126 -5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.839 4.384 -7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.801 2.736 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.479 3.730 -9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.599 2.008 -9.847 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.349 1.028 -5.076 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.821 -0.134 -4.265 1.00 0.00 C ATOM 1097 C LEU A 69 -4.341 -0.124 -4.206 1.00 0.00 C ATOM 1098 O LEU A 69 -4.965 0.892 -3.967 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.256 -0.035 -2.844 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.727 0.069 -2.899 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.170 0.210 -1.479 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.143 -1.191 -3.557 1.00 0.00 C ATOM 0 H LEU A 69 -2.367 1.923 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.478 -1.060 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.671 0.837 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.550 -0.910 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.448 0.944 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.917 0.284 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.577 1.109 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.452 -0.662 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.944 -1.112 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.424 -2.069 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.534 -1.287 -4.570 1.00 0.00 H new ATOM 1114 N ARG A 70 -4.941 -1.261 -4.440 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.433 -1.360 -4.423 1.00 0.00 C ATOM 1116 C ARG A 70 -6.884 -2.525 -3.534 1.00 0.00 C ATOM 1117 O ARG A 70 -6.231 -3.547 -3.432 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.929 -1.592 -5.850 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.474 -0.429 -6.731 1.00 0.00 C ATOM 1120 CD ARG A 70 -6.980 -0.630 -8.162 1.00 0.00 C ATOM 1121 NE ARG A 70 -6.318 -1.831 -8.755 1.00 0.00 N ATOM 1122 CZ ARG A 70 -6.624 -2.232 -9.965 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -7.513 -1.587 -10.680 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.041 -3.286 -10.462 1.00 0.00 N ATOM 0 H ARG A 70 -4.457 -2.135 -4.644 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.848 -0.435 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.537 -2.533 -6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.016 -1.671 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.853 0.512 -6.331 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.386 -0.362 -6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.062 -0.759 -8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.764 0.253 -8.764 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.622 -2.343 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.976 -0.763 -10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.742 -1.909 -11.620 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.350 -3.795 -9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.275 -3.602 -11.403 1.00 0.00 H new ATOM 1138 N SER A 71 -8.017 -2.352 -2.909 1.00 0.00 N ATOM 1139 CA SER A 71 -8.603 -3.396 -2.016 1.00 0.00 C ATOM 1140 C SER A 71 -7.613 -3.774 -0.918 1.00 0.00 C ATOM 1141 O SER A 71 -7.282 -4.926 -0.738 1.00 0.00 O ATOM 1142 CB SER A 71 -8.991 -4.629 -2.830 1.00 0.00 C ATOM 1143 OG SER A 71 -9.545 -4.211 -4.071 1.00 0.00 O ATOM 0 H SER A 71 -8.579 -1.504 -2.982 1.00 0.00 H new ATOM 0 HA SER A 71 -9.500 -2.991 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.117 -5.257 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.714 -5.231 -2.279 1.00 0.00 H new ATOM 0 HG SER A 71 -9.795 -4.998 -4.599 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.152 -2.800 -0.171 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.187 -3.073 0.941 1.00 0.00 C ATOM 1151 C VAL A 72 -6.860 -2.830 2.285 1.00 0.00 C ATOM 1152 O VAL A 72 -7.841 -2.122 2.387 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.968 -2.154 0.815 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.119 -2.599 -0.372 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.415 -0.701 0.605 1.00 0.00 C ATOM 0 H VAL A 72 -7.405 -1.819 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.866 -4.113 0.877 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.383 -2.215 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.251 -1.946 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.786 -3.625 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.712 -2.544 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.538 -0.060 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.008 -0.631 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.016 -0.379 1.455 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.323 -3.429 3.319 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.898 -3.275 4.692 1.00 0.00 C ATOM 1167 C VAL A 73 -5.885 -2.589 5.598 1.00 0.00 C ATOM 1168 O VAL A 73 -4.711 -2.904 5.601 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.241 -4.652 5.273 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.965 -5.481 5.478 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.945 -4.455 6.620 1.00 0.00 C ATOM 0 H VAL A 73 -5.498 -4.027 3.269 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.804 -2.672 4.630 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.892 -5.184 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.227 -6.455 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.461 -5.616 4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.300 -4.961 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.195 -5.427 7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.284 -3.920 7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.858 -3.878 6.473 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.349 -1.633 6.356 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.446 -0.884 7.273 1.00 0.00 C ATOM 1183 C VAL A 74 -5.324 -1.624 8.598 1.00 0.00 C ATOM 1184 O VAL A 74 -6.277 -1.781 9.335 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.003 0.519 7.515 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.936 1.368 8.207 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.368 1.160 6.173 1.00 0.00 C ATOM 0 H VAL A 74 -7.325 -1.337 6.379 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.460 -0.805 6.816 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.892 0.458 8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.326 2.370 8.383 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.668 0.911 9.159 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.052 1.429 7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.765 2.161 6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.478 1.225 5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.121 0.551 5.672 1.00 0.00 H new ATOM 1197 N GLY A 75 -4.139 -2.081 8.889 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.886 -2.828 10.154 1.00 0.00 C ATOM 1199 C GLY A 75 -3.231 -1.913 11.179 1.00 0.00 C ATOM 1200 O GLY A 75 -2.901 -0.778 10.902 1.00 0.00 O ATOM 0 H GLY A 75 -3.319 -1.967 8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.824 -3.217 10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.243 -3.686 9.957 1.00 0.00 H new ATOM 1204 N GLU A 76 -3.042 -2.418 12.369 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.410 -1.613 13.456 1.00 0.00 C ATOM 1206 C GLU A 76 -1.033 -2.182 13.782 1.00 0.00 C ATOM 1207 O GLU A 76 -0.885 -3.330 14.150 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.299 -1.663 14.702 1.00 0.00 C ATOM 1209 CG GLU A 76 -2.755 -0.692 15.755 1.00 0.00 C ATOM 1210 CD GLU A 76 -2.967 0.749 15.284 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -3.639 0.936 14.281 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -2.459 1.642 15.940 1.00 0.00 O ATOM 0 H GLU A 76 -3.302 -3.367 12.638 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.300 -0.579 13.129 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.324 -1.398 14.442 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.324 -2.676 15.104 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.261 -0.852 16.707 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.694 -0.878 15.922 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.026 -1.366 13.646 1.00 0.00 N ATOM 1220 CA TYR A 77 1.369 -1.807 13.939 1.00 0.00 C ATOM 1221 C TYR A 77 2.108 -0.726 14.730 1.00 0.00 C ATOM 1222 O TYR A 77 2.203 0.414 14.323 1.00 0.00 O ATOM 1223 CB TYR A 77 2.106 -2.067 12.626 1.00 0.00 C ATOM 1224 CG TYR A 77 3.541 -2.438 12.924 1.00 0.00 C ATOM 1225 CD1 TYR A 77 3.843 -3.699 13.450 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.570 -1.521 12.670 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.172 -4.042 13.725 1.00 0.00 C ATOM 1228 CE2 TYR A 77 5.897 -1.865 12.943 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.199 -3.126 13.470 1.00 0.00 C ATOM 1230 OH TYR A 77 7.509 -3.466 13.736 1.00 0.00 O ATOM 0 H TYR A 77 -0.110 -0.397 13.340 1.00 0.00 H new ATOM 0 HA TYR A 77 1.336 -2.722 14.531 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.618 -2.870 12.074 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.071 -1.179 11.994 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.051 -4.407 13.644 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.337 -0.548 12.263 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.405 -5.014 14.134 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.689 -1.158 12.747 1.00 0.00 H new ATOM 0 HH TYR A 77 8.096 -2.717 13.501 1.00 0.00 H new ATOM 1240 N ASN A 78 2.643 -1.105 15.856 1.00 0.00 N ATOM 1241 CA ASN A 78 3.404 -0.153 16.710 1.00 0.00 C ATOM 1242 C ASN A 78 2.525 1.050 17.054 1.00 0.00 C ATOM 1243 O ASN A 78 2.964 2.177 17.016 1.00 0.00 O ATOM 1244 CB ASN A 78 4.668 0.294 15.973 1.00 0.00 C ATOM 1245 CG ASN A 78 5.609 1.001 16.950 1.00 0.00 C ATOM 1246 OD1 ASN A 78 5.767 2.202 16.894 1.00 0.00 O ATOM 1247 ND2 ASN A 78 6.247 0.299 17.847 1.00 0.00 N ATOM 0 H ASN A 78 2.583 -2.053 16.227 1.00 0.00 H new ATOM 0 HA ASN A 78 3.695 -0.644 17.639 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.167 -0.568 15.531 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.406 0.965 15.155 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.879 0.761 18.501 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.114 -0.711 17.894 1.00 0.00 H new ATOM 1254 N ASP A 79 1.287 0.796 17.393 1.00 0.00 N ATOM 1255 CA ASP A 79 0.340 1.892 17.757 1.00 0.00 C ATOM 1256 C ASP A 79 0.146 2.806 16.547 1.00 0.00 C ATOM 1257 O ASP A 79 -0.609 3.753 16.592 1.00 0.00 O ATOM 1258 CB ASP A 79 0.909 2.687 18.938 1.00 0.00 C ATOM 1259 CG ASP A 79 -0.176 3.591 19.532 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -1.245 3.665 18.950 1.00 0.00 O ATOM 1261 OD2 ASP A 79 0.087 4.195 20.559 1.00 0.00 O ATOM 0 H ASP A 79 0.886 -0.141 17.433 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.623 1.472 18.047 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.283 2.004 19.701 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.755 3.289 18.608 1.00 0.00 H new ATOM 1266 N ARG A 80 0.821 2.517 15.462 1.00 0.00 N ATOM 1267 CA ARG A 80 0.689 3.358 14.228 1.00 0.00 C ATOM 1268 C ARG A 80 -0.255 2.685 13.237 1.00 0.00 C ATOM 1269 O ARG A 80 -0.766 1.609 13.477 1.00 0.00 O ATOM 1270 CB ARG A 80 2.062 3.544 13.564 1.00 0.00 C ATOM 1271 CG ARG A 80 2.936 4.462 14.425 1.00 0.00 C ATOM 1272 CD ARG A 80 4.347 4.554 13.824 1.00 0.00 C ATOM 1273 NE ARG A 80 4.276 5.184 12.472 1.00 0.00 N ATOM 1274 CZ ARG A 80 5.332 5.214 11.695 1.00 0.00 C ATOM 1275 NH1 ARG A 80 6.470 4.699 12.092 1.00 0.00 N ATOM 1276 NH2 ARG A 80 5.250 5.764 10.515 1.00 0.00 N ATOM 0 H ARG A 80 1.463 1.729 15.376 1.00 0.00 H new ATOM 0 HA ARG A 80 0.289 4.331 14.514 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.549 2.577 13.438 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.940 3.972 12.569 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.490 5.455 14.482 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.989 4.078 15.444 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.993 5.141 14.476 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.787 3.560 13.750 1.00 0.00 H new ATOM 0 HE ARG A 80 3.399 5.594 12.150 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.541 4.269 13.014 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.285 4.728 11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.368 6.168 10.201 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.068 5.790 9.907 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.493 3.329 12.122 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.418 2.762 11.089 1.00 0.00 C ATOM 1292 C PHE A 81 -0.637 2.395 9.833 1.00 0.00 C ATOM 1293 O PHE A 81 0.233 3.113 9.381 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.487 3.799 10.735 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.463 3.928 11.881 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.566 3.068 11.957 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.272 4.909 12.862 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.473 3.184 13.018 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.179 5.024 13.924 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.282 4.165 13.998 1.00 0.00 C ATOM 0 H PHE A 81 -0.083 4.231 11.880 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.892 1.867 11.491 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.020 4.763 10.531 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.012 3.500 9.828 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.717 2.315 11.197 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.426 5.577 12.800 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.320 2.517 13.080 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.027 5.775 14.685 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.986 4.259 14.812 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.961 1.264 9.270 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.270 0.797 8.036 1.00 0.00 C ATOM 1312 C GLN A 82 -1.237 0.009 7.153 1.00 0.00 C ATOM 1313 O GLN A 82 -2.281 -0.436 7.585 1.00 0.00 O ATOM 1314 CB GLN A 82 0.912 -0.097 8.416 1.00 0.00 C ATOM 1315 CG GLN A 82 0.433 -1.245 9.315 1.00 0.00 C ATOM 1316 CD GLN A 82 1.590 -2.214 9.573 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.703 -1.800 9.821 1.00 0.00 O ATOM 1318 NE2 GLN A 82 1.365 -3.499 9.528 1.00 0.00 N ATOM 0 H GLN A 82 -1.685 0.635 9.618 1.00 0.00 H new ATOM 0 HA GLN A 82 0.088 1.666 7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.379 -0.499 7.517 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.671 0.490 8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.060 -0.849 10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.396 -1.771 8.840 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.429 -3.846 9.319 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.125 -4.156 9.701 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.872 -0.158 5.910 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.728 -0.910 4.938 1.00 0.00 C ATOM 1329 C VAL A 83 -1.101 -2.273 4.670 1.00 0.00 C ATOM 1330 O VAL A 83 0.080 -2.388 4.414 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.828 -0.121 3.622 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.861 0.996 3.773 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.465 0.493 3.269 1.00 0.00 C ATOM 0 H VAL A 83 -0.001 0.200 5.518 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.727 -1.042 5.354 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.132 -0.800 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.931 1.555 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.833 0.563 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.556 1.667 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.547 1.049 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.152 1.167 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.273 -0.301 3.154 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.894 -3.308 4.744 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.371 -4.690 4.516 1.00 0.00 C ATOM 1345 C GLN A 84 -1.801 -5.201 3.143 1.00 0.00 C ATOM 1346 O GLN A 84 -2.970 -5.267 2.815 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.900 -5.612 5.615 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.306 -5.174 6.958 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.867 -6.041 8.086 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.575 -6.995 7.838 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.581 -5.742 9.323 1.00 0.00 N ATOM 0 H GLN A 84 -2.891 -3.256 4.954 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.282 -4.675 4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.989 -5.569 5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.629 -6.646 5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.220 -5.258 6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.539 -4.126 7.144 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.986 -4.940 9.529 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.953 -6.310 10.084 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.832 -5.559 2.343 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.105 -6.074 0.972 1.00 0.00 C ATOM 1362 C VAL A 85 -1.171 -7.598 0.997 1.00 0.00 C ATOM 1363 O VAL A 85 -0.298 -8.271 1.508 1.00 0.00 O ATOM 1364 CB VAL A 85 0.012 -5.619 0.023 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.389 -5.948 -1.415 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.220 -4.107 0.161 1.00 0.00 C ATOM 0 H VAL A 85 0.157 -5.515 2.589 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.060 -5.682 0.622 1.00 0.00 H new ATOM 0 HB VAL A 85 0.939 -6.134 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.400 -5.627 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.539 -7.023 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.315 -5.428 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.014 -3.786 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.704 -3.588 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.499 -3.870 1.188 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.215 -8.136 0.431 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.398 -9.617 0.383 1.00 0.00 C ATOM 1378 C ASN A 86 -2.839 -10.028 -1.027 1.00 0.00 C ATOM 1379 O ASN A 86 -2.890 -9.222 -1.936 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.477 -10.032 1.390 1.00 0.00 C ATOM 1381 CG ASN A 86 -2.996 -9.749 2.815 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -1.915 -10.150 3.192 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -3.761 -9.072 3.629 1.00 0.00 N ATOM 0 H ASN A 86 -2.965 -7.602 -0.009 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.457 -10.108 0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.400 -9.486 1.193 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.704 -11.092 1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.449 -8.881 4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.670 -8.735 3.312 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.144 -11.286 -1.203 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.571 -11.797 -2.541 1.00 0.00 C ATOM 1392 C LYS A 87 -4.818 -11.048 -3.011 1.00 0.00 C ATOM 1393 O LYS A 87 -4.995 -10.801 -4.184 1.00 0.00 O ATOM 1394 CB LYS A 87 -3.889 -13.295 -2.429 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.982 -13.521 -1.377 1.00 0.00 C ATOM 1396 CD LYS A 87 -5.239 -15.024 -1.217 1.00 0.00 C ATOM 1397 CE LYS A 87 -6.373 -15.247 -0.212 1.00 0.00 C ATOM 1398 NZ LYS A 87 -5.996 -14.657 1.104 1.00 0.00 N ATOM 0 H LYS A 87 -3.115 -11.992 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.768 -11.640 -3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.217 -13.679 -3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.990 -13.847 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.677 -13.090 -0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.900 -13.015 -1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.501 -15.463 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.333 -15.524 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.292 -14.789 -0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.570 -16.313 -0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.576 -15.083 1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.991 -14.846 1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.157 -13.630 1.083 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.679 -10.692 -2.096 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.926 -9.957 -2.463 1.00 0.00 C ATOM 1414 C ASN A 88 -6.545 -8.596 -3.046 1.00 0.00 C ATOM 1415 O ASN A 88 -7.166 -8.107 -3.967 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.789 -9.752 -1.209 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.060 -8.980 -1.573 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -9.644 -9.204 -2.612 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.512 -8.071 -0.754 1.00 0.00 N ATOM 0 H ASN A 88 -5.571 -10.881 -1.099 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.490 -10.531 -3.198 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.051 -10.717 -0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.225 -9.205 -0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.356 -7.549 -0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.021 -7.882 0.120 1.00 0.00 H new ATOM 1426 N SER A 89 -5.534 -7.983 -2.493 1.00 0.00 N ATOM 1427 CA SER A 89 -5.090 -6.641 -2.972 1.00 0.00 C ATOM 1428 C SER A 89 -4.391 -6.754 -4.320 1.00 0.00 C ATOM 1429 O SER A 89 -3.871 -7.788 -4.684 1.00 0.00 O ATOM 1430 CB SER A 89 -4.125 -6.031 -1.954 1.00 0.00 C ATOM 1431 OG SER A 89 -4.686 -6.139 -0.652 1.00 0.00 O ATOM 0 H SER A 89 -4.988 -8.360 -1.718 1.00 0.00 H new ATOM 0 HA SER A 89 -5.968 -6.005 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.165 -6.545 -1.993 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.936 -4.985 -2.196 1.00 0.00 H new ATOM 0 HG SER A 89 -5.577 -5.731 -0.645 1.00 0.00 H new ATOM 1437 N SER A 90 -4.383 -5.676 -5.060 1.00 0.00 N ATOM 1438 CA SER A 90 -3.728 -5.666 -6.402 1.00 0.00 C ATOM 1439 C SER A 90 -2.784 -4.473 -6.506 1.00 0.00 C ATOM 1440 O SER A 90 -2.977 -3.449 -5.879 1.00 0.00 O ATOM 1441 CB SER A 90 -4.796 -5.565 -7.490 1.00 0.00 C ATOM 1442 OG SER A 90 -5.513 -4.345 -7.343 1.00 0.00 O ATOM 0 H SER A 90 -4.808 -4.790 -4.787 1.00 0.00 H new ATOM 0 HA SER A 90 -3.160 -6.587 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.331 -5.609 -8.475 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.480 -6.411 -7.422 1.00 0.00 H new ATOM 0 HG SER A 90 -6.196 -4.281 -8.042 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.757 -4.618 -7.300 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.754 -3.524 -7.478 1.00 0.00 C ATOM 1450 C ILE A 91 -0.626 -3.185 -8.957 1.00 0.00 C ATOM 1451 O ILE A 91 -0.492 -4.051 -9.799 1.00 0.00 O ATOM 1452 CB ILE A 91 0.607 -3.989 -6.952 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.504 -4.267 -5.450 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.647 -2.892 -7.201 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.756 -5.009 -4.977 1.00 0.00 C ATOM 0 H ILE A 91 -1.567 -5.461 -7.842 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.081 -2.643 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 91 0.908 -4.900 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.396 -3.330 -4.903 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.385 -4.862 -5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.617 -3.219 -6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.718 -2.694 -8.270 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.347 -1.982 -6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.680 -5.206 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.844 -5.953 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.637 -4.397 -5.172 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.658 -1.918 -9.272 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.532 -1.475 -10.696 1.00 0.00 C ATOM 1469 C GLU A 92 0.530 -0.382 -10.807 1.00 0.00 C ATOM 1470 O GLU A 92 0.579 0.550 -10.028 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.880 -0.943 -11.193 1.00 0.00 C ATOM 1472 CG GLU A 92 -1.752 -0.536 -12.667 1.00 0.00 C ATOM 1473 CD GLU A 92 -3.113 -0.085 -13.209 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -4.005 0.146 -12.409 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -3.235 0.029 -14.419 1.00 0.00 O ATOM 0 H GLU A 92 -0.767 -1.161 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.234 -2.325 -11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.649 -1.707 -11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.190 -0.087 -10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.026 0.271 -12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.379 -1.376 -13.253 1.00 0.00 H new ATOM 1482 N LYS A 93 1.382 -0.513 -11.788 1.00 0.00 N ATOM 1483 CA LYS A 93 2.464 0.486 -12.005 1.00 0.00 C ATOM 1484 C LYS A 93 1.912 1.707 -12.723 1.00 0.00 C ATOM 1485 O LYS A 93 1.188 1.605 -13.694 1.00 0.00 O ATOM 1486 CB LYS A 93 3.589 -0.134 -12.844 1.00 0.00 C ATOM 1487 CG LYS A 93 4.691 0.914 -13.061 1.00 0.00 C ATOM 1488 CD LYS A 93 5.869 0.290 -13.813 1.00 0.00 C ATOM 1489 CE LYS A 93 6.949 1.352 -14.039 1.00 0.00 C ATOM 1490 NZ LYS A 93 7.421 1.871 -12.725 1.00 0.00 N ATOM 0 H LYS A 93 1.372 -1.282 -12.458 1.00 0.00 H new ATOM 0 HA LYS A 93 2.860 0.788 -11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.997 -1.009 -12.338 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.199 -0.474 -13.804 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.295 1.758 -13.626 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.028 1.303 -12.100 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.278 -0.544 -13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.533 -0.112 -14.769 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.784 0.924 -14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.551 2.168 -14.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.190 2.555 -12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.633 2.340 -12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.770 1.081 -12.145 1.00 0.00 H new ATOM 1504 N LEU A 94 2.271 2.864 -12.241 1.00 0.00 N ATOM 1505 CA LEU A 94 1.805 4.140 -12.859 1.00 0.00 C ATOM 1506 C LEU A 94 2.913 4.724 -13.734 1.00 0.00 C ATOM 1507 O LEU A 94 4.063 4.788 -13.349 1.00 0.00 O ATOM 1508 CB LEU A 94 1.447 5.129 -11.745 1.00 0.00 C ATOM 1509 CG LEU A 94 0.407 4.494 -10.811 1.00 0.00 C ATOM 1510 CD1 LEU A 94 0.059 5.472 -9.682 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.862 4.155 -11.606 1.00 0.00 C ATOM 0 H LEU A 94 2.879 2.982 -11.430 1.00 0.00 H new ATOM 0 HA LEU A 94 0.928 3.952 -13.479 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.341 5.398 -11.182 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.052 6.049 -12.175 1.00 0.00 H new ATOM 0 HG LEU A 94 0.820 3.581 -10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.679 5.017 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.959 5.706 -9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.350 6.388 -10.108 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.599 3.704 -10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.274 5.066 -12.040 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.616 3.453 -12.403 1.00 0.00 H new ATOM 1523 N SER A 95 2.559 5.139 -14.917 1.00 0.00 N ATOM 1524 CA SER A 95 3.559 5.719 -15.859 1.00 0.00 C ATOM 1525 C SER A 95 3.844 7.156 -15.457 1.00 0.00 C ATOM 1526 O SER A 95 4.701 7.806 -16.021 1.00 0.00 O ATOM 1527 CB SER A 95 2.992 5.691 -17.284 1.00 0.00 C ATOM 1528 OG SER A 95 1.817 6.494 -17.349 1.00 0.00 O ATOM 0 H SER A 95 1.606 5.101 -15.278 1.00 0.00 H new ATOM 0 HA SER A 95 4.480 5.137 -15.824 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.736 6.061 -17.989 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.760 4.666 -17.573 1.00 0.00 H new ATOM 0 HG SER A 95 1.458 6.476 -18.261 1.00 0.00 H new ATOM 1534 N GLU A 96 3.123 7.660 -14.481 1.00 0.00 N ATOM 1535 CA GLU A 96 3.333 9.064 -14.027 1.00 0.00 C ATOM 1536 C GLU A 96 3.931 9.072 -12.604 1.00 0.00 C ATOM 1537 O GLU A 96 3.339 8.541 -11.680 1.00 0.00 O ATOM 1538 CB GLU A 96 2.003 9.810 -14.017 1.00 0.00 C ATOM 1539 CG GLU A 96 2.265 11.316 -13.844 1.00 0.00 C ATOM 1540 CD GLU A 96 2.735 11.921 -15.171 1.00 0.00 C ATOM 1541 OE1 GLU A 96 2.219 11.517 -16.200 1.00 0.00 O ATOM 1542 OE2 GLU A 96 3.598 12.781 -15.132 1.00 0.00 O ATOM 0 H GLU A 96 2.395 7.151 -13.980 1.00 0.00 H new ATOM 0 HA GLU A 96 4.022 9.557 -14.714 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.464 9.628 -14.947 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.374 9.443 -13.206 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.356 11.816 -13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.020 11.476 -13.074 1.00 0.00 H new ATOM 1549 N PRO A 97 5.094 9.662 -12.428 1.00 0.00 N ATOM 1550 CA PRO A 97 5.760 9.737 -11.099 1.00 0.00 C ATOM 1551 C PRO A 97 5.089 10.752 -10.178 1.00 0.00 C ATOM 1552 O PRO A 97 4.465 11.691 -10.627 1.00 0.00 O ATOM 1553 CB PRO A 97 7.200 10.150 -11.435 1.00 0.00 C ATOM 1554 CG PRO A 97 7.103 10.894 -12.730 1.00 0.00 C ATOM 1555 CD PRO A 97 5.894 10.333 -13.469 1.00 0.00 C ATOM 0 HA PRO A 97 5.706 8.793 -10.556 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.623 10.778 -10.651 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.848 9.278 -11.529 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.987 11.963 -12.554 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.011 10.765 -13.319 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.325 11.125 -13.956 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.196 9.633 -14.248 1.00 0.00 H new ATOM 1563 N ILE A 98 5.214 10.559 -8.891 1.00 0.00 N ATOM 1564 CA ILE A 98 4.583 11.497 -7.907 1.00 0.00 C ATOM 1565 C ILE A 98 5.657 12.325 -7.196 1.00 0.00 C ATOM 1566 O ILE A 98 6.624 11.808 -6.670 1.00 0.00 O ATOM 1567 CB ILE A 98 3.783 10.681 -6.888 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.626 9.979 -7.609 1.00 0.00 C ATOM 1569 CG2 ILE A 98 3.225 11.614 -5.813 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.972 8.965 -6.668 1.00 0.00 C ATOM 0 H ILE A 98 5.731 9.785 -8.473 1.00 0.00 H new ATOM 0 HA ILE A 98 3.918 12.182 -8.432 1.00 0.00 H new ATOM 0 HB ILE A 98 4.429 9.939 -6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.890 10.713 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.994 9.476 -8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.655 11.033 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.048 12.120 -5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.574 12.355 -6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.150 8.468 -7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.710 8.224 -6.362 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.589 9.480 -5.787 1.00 0.00 H new