USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 830 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 58 ASN : amide:sc= -3.1! C(o=-3.1!,f=-12!) USER MOD Set 1.2: A 60 TYR OH : rot -44:sc= 0.00718 USER MOD Set 2.1: A 8 TYR OH : rot -31:sc= -0.318 USER MOD Set 2.2: A 40 TYR OH : rot -140:sc= 0.261 USER MOD Set 3.1: A 6 TYR OH : rot 76:sc= 0.69 USER MOD Set 3.2: A 14 GLN : amide:sc= -3.79! C(o=-4.7!,f=-3.3!) USER MOD Set 3.3: A 37 TYR OH : rot 158:sc= -1.62! USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 147:sc= -0.383 (180deg=-0.8) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -3.93! C(o=-3.9!,f=-5.9!) USER MOD Single : A 17 SER OG : rot -90:sc= -0.898 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -3.2 K(o=-3.2,f=-6.7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -78:sc= -2.68! USER MOD Single : A 32 HIS : no HD1:sc= -10.6! C(o=-11!,f=-8.8!) USER MOD Single : A 34 THR OG1 : rot -84:sc= -0.472! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.09 K(o=-1.1,f=0.088) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.508 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.893 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -9.73! C(o=-9.7!,f=-11!) USER MOD Single : A 49 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.6!) USER MOD Single : A 50 SER OG : rot 171:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 54 ASN : amide:sc= -5! C(o=-5!,f=-3.9!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.521 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -17:sc= 0.488! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -95:sc= 1.19 (180deg=-0.718) USER MOD Single : A 90 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.14) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.44) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 18.226 5.301 -11.492 1.00 0.00 N ATOM 2 CA GLU A 1 18.905 5.739 -10.240 1.00 0.00 C ATOM 3 C GLU A 1 18.006 6.722 -9.488 1.00 0.00 C ATOM 4 O GLU A 1 18.441 7.770 -9.054 1.00 0.00 O ATOM 5 CB GLU A 1 20.229 6.420 -10.588 1.00 0.00 C ATOM 6 CG GLU A 1 21.201 6.280 -9.415 1.00 0.00 C ATOM 7 CD GLU A 1 22.197 7.440 -9.436 1.00 0.00 C ATOM 8 OE1 GLU A 1 21.836 8.496 -9.929 1.00 0.00 O ATOM 9 OE2 GLU A 1 23.304 7.252 -8.960 1.00 0.00 O ATOM 0 H1 GLU A 1 18.837 4.633 -12.003 1.00 0.00 H new ATOM 0 H2 GLU A 1 17.327 4.836 -11.255 1.00 0.00 H new ATOM 0 H3 GLU A 1 18.039 6.129 -12.093 1.00 0.00 H new ATOM 0 HA GLU A 1 19.099 4.871 -9.610 1.00 0.00 H new ATOM 0 HB2 GLU A 1 20.657 5.970 -11.484 1.00 0.00 H new ATOM 0 HB3 GLU A 1 20.060 7.474 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 1 20.652 6.275 -8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 1 21.732 5.330 -9.480 1.00 0.00 H new ATOM 18 N SER A 2 16.754 6.388 -9.327 1.00 0.00 N ATOM 19 CA SER A 2 15.826 7.301 -8.599 1.00 0.00 C ATOM 20 C SER A 2 14.955 6.478 -7.648 1.00 0.00 C ATOM 21 O SER A 2 14.958 5.263 -7.688 1.00 0.00 O ATOM 22 CB SER A 2 14.937 8.035 -9.603 1.00 0.00 C ATOM 23 OG SER A 2 15.756 8.753 -10.517 1.00 0.00 O ATOM 0 H SER A 2 16.334 5.523 -9.668 1.00 0.00 H new ATOM 0 HA SER A 2 16.402 8.030 -8.029 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.310 7.323 -10.140 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.268 8.719 -9.082 1.00 0.00 H new ATOM 0 HG SER A 2 15.190 9.224 -11.163 1.00 0.00 H new ATOM 29 N LYS A 3 14.215 7.123 -6.789 1.00 0.00 N ATOM 30 CA LYS A 3 13.356 6.364 -5.836 1.00 0.00 C ATOM 31 C LYS A 3 12.040 5.923 -6.494 1.00 0.00 C ATOM 32 O LYS A 3 11.648 4.785 -6.356 1.00 0.00 O ATOM 33 CB LYS A 3 13.056 7.214 -4.595 1.00 0.00 C ATOM 34 CG LYS A 3 14.289 8.042 -4.237 1.00 0.00 C ATOM 35 CD LYS A 3 14.063 9.505 -4.631 1.00 0.00 C ATOM 36 CE LYS A 3 15.413 10.180 -4.881 1.00 0.00 C ATOM 37 NZ LYS A 3 15.808 9.992 -6.306 1.00 0.00 N ATOM 0 H LYS A 3 14.168 8.138 -6.705 1.00 0.00 H new ATOM 0 HA LYS A 3 13.904 5.470 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.207 7.870 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.780 6.572 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.489 7.970 -3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.165 7.648 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.445 9.560 -5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.524 10.027 -3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.349 11.243 -4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.171 9.755 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.342 10.823 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.403 9.143 -6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 14.955 9.878 -6.890 1.00 0.00 H new ATOM 51 N PRO A 4 11.393 6.837 -7.170 1.00 0.00 N ATOM 52 CA PRO A 4 10.103 6.576 -7.844 1.00 0.00 C ATOM 53 C PRO A 4 10.311 5.882 -9.199 1.00 0.00 C ATOM 54 O PRO A 4 10.776 6.497 -10.138 1.00 0.00 O ATOM 55 CB PRO A 4 9.530 7.979 -8.058 1.00 0.00 C ATOM 56 CG PRO A 4 10.734 8.951 -8.038 1.00 0.00 C ATOM 57 CD PRO A 4 11.883 8.214 -7.324 1.00 0.00 C ATOM 0 HA PRO A 4 9.454 5.919 -7.265 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.997 8.040 -9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.815 8.230 -7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.023 9.230 -9.051 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.480 9.872 -7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.801 8.246 -7.911 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.106 8.667 -6.358 1.00 0.00 H new ATOM 65 N PRO A 5 9.947 4.626 -9.264 1.00 0.00 N ATOM 66 CA PRO A 5 10.066 3.828 -10.493 1.00 0.00 C ATOM 67 C PRO A 5 8.813 4.029 -11.348 1.00 0.00 C ATOM 68 O PRO A 5 8.837 4.689 -12.368 1.00 0.00 O ATOM 69 CB PRO A 5 10.123 2.393 -9.979 1.00 0.00 C ATOM 70 CG PRO A 5 9.452 2.403 -8.582 1.00 0.00 C ATOM 71 CD PRO A 5 9.398 3.874 -8.122 1.00 0.00 C ATOM 0 HA PRO A 5 10.927 4.094 -11.106 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.601 1.717 -10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.154 2.045 -9.913 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.450 1.977 -8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.021 1.798 -7.876 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.378 4.183 -7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.988 4.032 -7.219 1.00 0.00 H new ATOM 79 N TYR A 6 7.710 3.468 -10.921 1.00 0.00 N ATOM 80 CA TYR A 6 6.443 3.627 -11.685 1.00 0.00 C ATOM 81 C TYR A 6 5.575 4.682 -11.002 1.00 0.00 C ATOM 82 O TYR A 6 5.607 4.845 -9.800 1.00 0.00 O ATOM 83 CB TYR A 6 5.685 2.298 -11.737 1.00 0.00 C ATOM 84 CG TYR A 6 6.657 1.158 -11.901 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.701 1.253 -12.826 1.00 0.00 C ATOM 86 CD2 TYR A 6 6.507 0.002 -11.129 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.597 0.187 -12.981 1.00 0.00 C ATOM 88 CE2 TYR A 6 7.402 -1.063 -11.280 1.00 0.00 C ATOM 89 CZ TYR A 6 8.447 -0.972 -12.206 1.00 0.00 C ATOM 90 OH TYR A 6 9.327 -2.026 -12.361 1.00 0.00 O ATOM 0 H TYR A 6 7.636 2.906 -10.073 1.00 0.00 H new ATOM 0 HA TYR A 6 6.676 3.939 -12.703 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.105 2.164 -10.824 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.977 2.306 -12.566 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.817 2.147 -13.421 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.699 -0.069 -10.415 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.403 0.258 -13.697 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.286 -1.955 -10.682 1.00 0.00 H new ATOM 0 HH TYR A 6 10.177 -1.809 -11.924 1.00 0.00 H new ATOM 100 N SER A 7 4.798 5.398 -11.763 1.00 0.00 N ATOM 101 CA SER A 7 3.928 6.445 -11.163 1.00 0.00 C ATOM 102 C SER A 7 3.166 5.844 -9.982 1.00 0.00 C ATOM 103 O SER A 7 2.827 4.678 -9.982 1.00 0.00 O ATOM 104 CB SER A 7 2.935 6.938 -12.214 1.00 0.00 C ATOM 105 OG SER A 7 3.501 8.041 -12.909 1.00 0.00 O ATOM 0 H SER A 7 4.728 5.303 -12.776 1.00 0.00 H new ATOM 0 HA SER A 7 4.537 7.281 -10.819 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.698 6.136 -12.912 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.000 7.233 -11.738 1.00 0.00 H new ATOM 0 HG SER A 7 2.869 8.360 -13.586 1.00 0.00 H new ATOM 111 N TYR A 8 2.899 6.626 -8.972 1.00 0.00 N ATOM 112 CA TYR A 8 2.167 6.087 -7.793 1.00 0.00 C ATOM 113 C TYR A 8 0.724 5.768 -8.186 1.00 0.00 C ATOM 114 O TYR A 8 -0.224 6.308 -7.654 1.00 0.00 O ATOM 115 CB TYR A 8 2.207 7.112 -6.659 1.00 0.00 C ATOM 116 CG TYR A 8 3.650 7.401 -6.303 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.661 6.496 -6.661 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.979 8.575 -5.615 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.993 6.763 -6.332 1.00 0.00 C ATOM 120 CE2 TYR A 8 5.314 8.842 -5.286 1.00 0.00 C ATOM 121 CZ TYR A 8 6.321 7.937 -5.645 1.00 0.00 C ATOM 122 OH TYR A 8 7.636 8.202 -5.320 1.00 0.00 O ATOM 0 H TYR A 8 3.155 7.611 -8.913 1.00 0.00 H new ATOM 0 HA TYR A 8 2.642 5.168 -7.450 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.704 8.030 -6.964 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.674 6.730 -5.788 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.409 5.590 -7.192 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.204 9.274 -5.338 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.768 6.064 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.567 9.747 -4.755 1.00 0.00 H new ATOM 0 HH TYR A 8 8.112 7.359 -5.169 1.00 0.00 H new ATOM 132 N ALA A 9 0.576 4.872 -9.116 1.00 0.00 N ATOM 133 CA ALA A 9 -0.770 4.450 -9.589 1.00 0.00 C ATOM 134 C ALA A 9 -0.564 3.221 -10.469 1.00 0.00 C ATOM 135 O ALA A 9 -1.218 2.210 -10.313 1.00 0.00 O ATOM 136 CB ALA A 9 -1.419 5.572 -10.397 1.00 0.00 C ATOM 0 H ALA A 9 1.352 4.401 -9.581 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.426 4.223 -8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.404 5.252 -10.738 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.522 6.458 -9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.795 5.807 -11.259 1.00 0.00 H new ATOM 142 N GLN A 10 0.396 3.289 -11.351 1.00 0.00 N ATOM 143 CA GLN A 10 0.723 2.117 -12.207 1.00 0.00 C ATOM 144 C GLN A 10 1.621 1.228 -11.366 1.00 0.00 C ATOM 145 O GLN A 10 1.611 0.018 -11.466 1.00 0.00 O ATOM 146 CB GLN A 10 1.477 2.576 -13.458 1.00 0.00 C ATOM 147 CG GLN A 10 2.683 3.418 -13.042 1.00 0.00 C ATOM 148 CD GLN A 10 3.564 3.689 -14.264 1.00 0.00 C ATOM 149 OE1 GLN A 10 3.707 4.818 -14.687 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.164 2.691 -14.853 1.00 0.00 N ATOM 0 H GLN A 10 0.972 4.115 -11.515 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.177 1.595 -12.532 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.805 1.712 -14.036 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.817 3.158 -14.101 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.349 4.359 -12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.257 2.897 -12.276 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.044 1.742 -14.498 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.753 2.860 -15.669 1.00 0.00 H new ATOM 159 N LEU A 11 2.368 1.847 -10.491 1.00 0.00 N ATOM 160 CA LEU A 11 3.246 1.090 -9.575 1.00 0.00 C ATOM 161 C LEU A 11 2.341 0.170 -8.768 1.00 0.00 C ATOM 162 O LEU A 11 2.648 -0.975 -8.503 1.00 0.00 O ATOM 163 CB LEU A 11 3.933 2.090 -8.646 1.00 0.00 C ATOM 164 CG LEU A 11 4.826 1.358 -7.656 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.255 1.354 -8.183 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.783 2.090 -6.320 1.00 0.00 C ATOM 0 H LEU A 11 2.402 2.860 -10.377 1.00 0.00 H new ATOM 0 HA LEU A 11 4.004 0.514 -10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.526 2.793 -9.231 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.184 2.673 -8.110 1.00 0.00 H new ATOM 0 HG LEU A 11 4.481 0.332 -7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.901 0.831 -7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.286 0.848 -9.148 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.602 2.380 -8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.420 1.574 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.140 3.111 -6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.758 2.109 -5.948 1.00 0.00 H new ATOM 178 N ILE A 12 1.203 0.688 -8.407 1.00 0.00 N ATOM 179 CA ILE A 12 0.205 -0.103 -7.638 1.00 0.00 C ATOM 180 C ILE A 12 -0.347 -1.190 -8.550 1.00 0.00 C ATOM 181 O ILE A 12 -0.383 -2.356 -8.209 1.00 0.00 O ATOM 182 CB ILE A 12 -0.952 0.808 -7.230 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.459 2.219 -6.830 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.709 0.171 -6.069 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.976 2.183 -6.295 1.00 0.00 C ATOM 0 H ILE A 12 0.917 1.644 -8.616 1.00 0.00 H new ATOM 0 HA ILE A 12 0.673 -0.534 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.613 0.924 -8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.509 2.881 -7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.121 2.635 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.535 0.818 -5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.099 -0.799 -6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.034 0.038 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.289 3.191 -6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.020 1.541 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.641 1.791 -7.064 1.00 0.00 H new ATOM 197 N VAL A 13 -0.781 -0.799 -9.712 1.00 0.00 N ATOM 198 CA VAL A 13 -1.343 -1.774 -10.676 1.00 0.00 C ATOM 199 C VAL A 13 -0.368 -2.933 -10.841 1.00 0.00 C ATOM 200 O VAL A 13 -0.721 -4.082 -10.664 1.00 0.00 O ATOM 201 CB VAL A 13 -1.531 -1.074 -12.019 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.891 -2.102 -13.091 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.650 -0.038 -11.888 1.00 0.00 C ATOM 0 H VAL A 13 -0.769 0.168 -10.037 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.299 -2.154 -10.316 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.606 -0.576 -12.309 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.024 -1.598 -14.048 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.089 -2.835 -13.176 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.817 -2.607 -12.815 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.791 0.467 -12.843 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.576 -0.537 -11.601 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.381 0.694 -11.127 1.00 0.00 H new ATOM 213 N GLN A 14 0.859 -2.649 -11.163 1.00 0.00 N ATOM 214 CA GLN A 14 1.844 -3.748 -11.316 1.00 0.00 C ATOM 215 C GLN A 14 1.991 -4.464 -9.973 1.00 0.00 C ATOM 216 O GLN A 14 2.311 -5.632 -9.913 1.00 0.00 O ATOM 217 CB GLN A 14 3.191 -3.174 -11.754 1.00 0.00 C ATOM 218 CG GLN A 14 3.728 -3.986 -12.933 1.00 0.00 C ATOM 219 CD GLN A 14 5.252 -4.049 -12.856 1.00 0.00 C ATOM 220 OE1 GLN A 14 5.866 -4.937 -13.416 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.896 -3.136 -12.182 1.00 0.00 N ATOM 0 H GLN A 14 1.221 -1.709 -11.326 1.00 0.00 H new ATOM 0 HA GLN A 14 1.502 -4.454 -12.073 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.078 -2.128 -12.040 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.898 -3.203 -10.925 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.310 -4.993 -12.915 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.419 -3.529 -13.873 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.381 -2.391 -11.712 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.914 -3.167 -12.125 1.00 0.00 H new ATOM 230 N ALA A 15 1.748 -3.772 -8.891 1.00 0.00 N ATOM 231 CA ALA A 15 1.859 -4.420 -7.555 1.00 0.00 C ATOM 232 C ALA A 15 0.700 -5.404 -7.367 1.00 0.00 C ATOM 233 O ALA A 15 0.892 -6.546 -6.999 1.00 0.00 O ATOM 234 CB ALA A 15 1.800 -3.352 -6.461 1.00 0.00 C ATOM 0 H ALA A 15 1.478 -2.788 -8.876 1.00 0.00 H new ATOM 0 HA ALA A 15 2.807 -4.955 -7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.881 -3.828 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.624 -2.650 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.853 -2.816 -6.526 1.00 0.00 H new ATOM 240 N ILE A 16 -0.505 -4.962 -7.610 1.00 0.00 N ATOM 241 CA ILE A 16 -1.683 -5.870 -7.436 1.00 0.00 C ATOM 242 C ILE A 16 -1.939 -6.662 -8.724 1.00 0.00 C ATOM 243 O ILE A 16 -2.133 -7.861 -8.697 1.00 0.00 O ATOM 244 CB ILE A 16 -2.949 -5.075 -7.055 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.704 -3.563 -7.159 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.331 -5.411 -5.615 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.841 -2.807 -6.463 1.00 0.00 C ATOM 0 H ILE A 16 -0.727 -4.016 -7.920 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.453 -6.562 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.749 -5.348 -7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.749 -3.307 -6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.644 -3.266 -8.206 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.225 -4.854 -5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.529 -6.480 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.512 -5.140 -4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.664 -1.734 -6.538 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.789 -3.053 -6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.880 -3.095 -5.413 1.00 0.00 H new ATOM 259 N SER A 17 -1.954 -6.003 -9.851 1.00 0.00 N ATOM 260 CA SER A 17 -2.213 -6.720 -11.136 1.00 0.00 C ATOM 261 C SER A 17 -1.153 -7.801 -11.365 1.00 0.00 C ATOM 262 O SER A 17 -1.395 -8.782 -12.040 1.00 0.00 O ATOM 263 CB SER A 17 -2.172 -5.723 -12.293 1.00 0.00 C ATOM 264 OG SER A 17 -3.162 -4.724 -12.088 1.00 0.00 O ATOM 0 H SER A 17 -1.798 -4.999 -9.939 1.00 0.00 H new ATOM 0 HA SER A 17 -3.195 -7.189 -11.084 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.185 -5.265 -12.359 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.348 -6.237 -13.238 1.00 0.00 H new ATOM 0 HG SER A 17 -4.003 -5.006 -12.506 1.00 0.00 H new ATOM 270 N SER A 18 0.019 -7.637 -10.816 1.00 0.00 N ATOM 271 CA SER A 18 1.079 -8.664 -11.022 1.00 0.00 C ATOM 272 C SER A 18 0.816 -9.861 -10.107 1.00 0.00 C ATOM 273 O SER A 18 1.282 -10.955 -10.356 1.00 0.00 O ATOM 274 CB SER A 18 2.447 -8.065 -10.697 1.00 0.00 C ATOM 275 OG SER A 18 3.450 -9.057 -10.874 1.00 0.00 O ATOM 0 H SER A 18 0.288 -6.841 -10.237 1.00 0.00 H new ATOM 0 HA SER A 18 1.066 -8.991 -12.062 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.646 -7.211 -11.345 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.461 -7.697 -9.671 1.00 0.00 H new ATOM 0 HG SER A 18 4.328 -8.675 -10.668 1.00 0.00 H new ATOM 281 N ALA A 19 0.070 -9.668 -9.054 1.00 0.00 N ATOM 282 CA ALA A 19 -0.216 -10.807 -8.137 1.00 0.00 C ATOM 283 C ALA A 19 -1.514 -11.497 -8.572 1.00 0.00 C ATOM 284 O ALA A 19 -2.502 -10.845 -8.845 1.00 0.00 O ATOM 285 CB ALA A 19 -0.373 -10.287 -6.706 1.00 0.00 C ATOM 0 H ALA A 19 -0.351 -8.777 -8.790 1.00 0.00 H new ATOM 0 HA ALA A 19 0.608 -11.519 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.582 -11.121 -6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.548 -9.794 -6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.197 -9.575 -6.666 1.00 0.00 H new ATOM 291 N GLN A 20 -1.522 -12.806 -8.638 1.00 0.00 N ATOM 292 CA GLN A 20 -2.765 -13.522 -9.053 1.00 0.00 C ATOM 293 C GLN A 20 -3.964 -12.871 -8.365 1.00 0.00 C ATOM 294 O GLN A 20 -4.972 -12.588 -8.980 1.00 0.00 O ATOM 295 CB GLN A 20 -2.676 -14.993 -8.639 1.00 0.00 C ATOM 296 CG GLN A 20 -2.174 -15.090 -7.198 1.00 0.00 C ATOM 297 CD GLN A 20 -1.627 -16.494 -6.942 1.00 0.00 C ATOM 298 OE1 GLN A 20 -2.380 -17.423 -6.728 1.00 0.00 O ATOM 299 NE2 GLN A 20 -0.337 -16.690 -6.957 1.00 0.00 N ATOM 0 H GLN A 20 -0.725 -13.406 -8.423 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.880 -13.462 -10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.654 -15.466 -8.727 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.002 -15.529 -9.307 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.396 -14.347 -7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.985 -14.872 -6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.295 -15.910 -7.137 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.039 -17.623 -6.789 1.00 0.00 H new ATOM 308 N ASP A 21 -3.849 -12.613 -7.092 1.00 0.00 N ATOM 309 CA ASP A 21 -4.966 -11.959 -6.363 1.00 0.00 C ATOM 310 C ASP A 21 -4.821 -10.446 -6.521 1.00 0.00 C ATOM 311 O ASP A 21 -4.101 -9.806 -5.781 1.00 0.00 O ATOM 312 CB ASP A 21 -4.897 -12.333 -4.880 1.00 0.00 C ATOM 313 CG ASP A 21 -5.064 -13.846 -4.725 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.194 -14.304 -4.765 1.00 0.00 O ATOM 315 OD2 ASP A 21 -4.059 -14.520 -4.568 1.00 0.00 O ATOM 0 H ASP A 21 -3.028 -12.828 -6.526 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.924 -12.287 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.943 -12.017 -4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.678 -11.812 -4.326 1.00 0.00 H new ATOM 320 N ARG A 22 -5.481 -9.874 -7.492 1.00 0.00 N ATOM 321 CA ARG A 22 -5.370 -8.404 -7.715 1.00 0.00 C ATOM 322 C ARG A 22 -5.944 -7.649 -6.513 1.00 0.00 C ATOM 323 O ARG A 22 -6.918 -6.932 -6.621 1.00 0.00 O ATOM 324 CB ARG A 22 -6.143 -8.026 -8.979 1.00 0.00 C ATOM 325 CG ARG A 22 -5.848 -9.048 -10.081 1.00 0.00 C ATOM 326 CD ARG A 22 -5.889 -8.359 -11.446 1.00 0.00 C ATOM 327 NE ARG A 22 -6.380 -9.319 -12.475 1.00 0.00 N ATOM 328 CZ ARG A 22 -5.749 -10.445 -12.671 1.00 0.00 C ATOM 329 NH1 ARG A 22 -6.044 -11.493 -11.951 1.00 0.00 N ATOM 330 NH2 ARG A 22 -4.824 -10.523 -13.590 1.00 0.00 N ATOM 0 H ARG A 22 -6.095 -10.364 -8.143 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.321 -8.134 -7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.212 -7.999 -8.770 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.857 -7.027 -9.308 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.869 -9.499 -9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.580 -9.855 -10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.543 -7.488 -11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.895 -8.000 -11.714 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.209 -9.096 -13.026 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.768 -11.432 -11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.551 -12.373 -12.105 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.595 -9.704 -14.154 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.331 -11.402 -13.744 1.00 0.00 H new ATOM 344 N GLN A 23 -5.334 -7.802 -5.370 1.00 0.00 N ATOM 345 CA GLN A 23 -5.818 -7.098 -4.152 1.00 0.00 C ATOM 346 C GLN A 23 -4.708 -7.112 -3.103 1.00 0.00 C ATOM 347 O GLN A 23 -4.354 -8.146 -2.573 1.00 0.00 O ATOM 348 CB GLN A 23 -7.058 -7.803 -3.602 1.00 0.00 C ATOM 349 CG GLN A 23 -6.779 -9.300 -3.462 1.00 0.00 C ATOM 350 CD GLN A 23 -7.364 -9.804 -2.142 1.00 0.00 C ATOM 351 OE1 GLN A 23 -7.590 -9.033 -1.230 1.00 0.00 O ATOM 352 NE2 GLN A 23 -7.624 -11.075 -2.000 1.00 0.00 N ATOM 0 H GLN A 23 -4.513 -8.391 -5.228 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.081 -6.070 -4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.329 -7.381 -2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.906 -7.642 -4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.219 -9.843 -4.298 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.705 -9.485 -3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.435 -11.723 -2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.017 -11.421 -1.124 1.00 0.00 H new ATOM 361 N LEU A 24 -4.144 -5.975 -2.806 1.00 0.00 N ATOM 362 CA LEU A 24 -3.049 -5.930 -1.803 1.00 0.00 C ATOM 363 C LEU A 24 -3.519 -5.183 -0.559 1.00 0.00 C ATOM 364 O LEU A 24 -4.406 -4.356 -0.614 1.00 0.00 O ATOM 365 CB LEU A 24 -1.850 -5.191 -2.394 1.00 0.00 C ATOM 366 CG LEU A 24 -1.145 -6.089 -3.408 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.051 -5.291 -4.118 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.519 -7.280 -2.682 1.00 0.00 C ATOM 0 H LEU A 24 -4.395 -5.075 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.768 -6.949 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.179 -4.270 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.158 -4.907 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.866 -6.449 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.454 -5.930 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.497 -4.441 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.672 -4.932 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.015 -7.922 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.204 -6.921 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.299 -7.847 -2.174 1.00 0.00 H new ATOM 380 N THR A 25 -2.910 -5.450 0.560 1.00 0.00 N ATOM 381 CA THR A 25 -3.305 -4.733 1.800 1.00 0.00 C ATOM 382 C THR A 25 -2.642 -3.358 1.770 1.00 0.00 C ATOM 383 O THR A 25 -1.759 -3.111 0.972 1.00 0.00 O ATOM 384 CB THR A 25 -2.822 -5.511 3.028 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.518 -5.071 3.381 1.00 0.00 O ATOM 386 CG2 THR A 25 -2.789 -7.008 2.711 1.00 0.00 C ATOM 0 H THR A 25 -2.159 -6.131 0.669 1.00 0.00 H new ATOM 0 HA THR A 25 -4.389 -4.637 1.856 1.00 0.00 H new ATOM 0 HB THR A 25 -3.505 -5.335 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.207 -5.566 4.168 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.445 -7.558 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.790 -7.345 2.441 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.109 -7.189 1.879 1.00 0.00 H new ATOM 394 N LEU A 26 -3.045 -2.458 2.617 1.00 0.00 N ATOM 395 CA LEU A 26 -2.406 -1.114 2.596 1.00 0.00 C ATOM 396 C LEU A 26 -0.889 -1.299 2.632 1.00 0.00 C ATOM 397 O LEU A 26 -0.151 -0.625 1.940 1.00 0.00 O ATOM 398 CB LEU A 26 -2.856 -0.290 3.807 1.00 0.00 C ATOM 399 CG LEU A 26 -2.877 1.191 3.428 1.00 0.00 C ATOM 400 CD1 LEU A 26 -3.729 1.966 4.434 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.447 1.737 3.442 1.00 0.00 C ATOM 0 H LEU A 26 -3.778 -2.589 3.314 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.700 -0.582 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.847 -0.609 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.179 -0.454 4.645 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.303 1.306 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.743 3.021 4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.747 1.576 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.306 1.854 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.458 2.793 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.023 1.622 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.840 1.185 2.724 1.00 0.00 H new ATOM 413 N SER A 27 -0.418 -2.215 3.434 1.00 0.00 N ATOM 414 CA SER A 27 1.050 -2.458 3.518 1.00 0.00 C ATOM 415 C SER A 27 1.426 -3.683 2.675 1.00 0.00 C ATOM 416 O SER A 27 2.392 -4.361 2.959 1.00 0.00 O ATOM 417 CB SER A 27 1.436 -2.713 4.975 1.00 0.00 C ATOM 418 OG SER A 27 2.363 -1.722 5.396 1.00 0.00 O ATOM 0 H SER A 27 -0.989 -2.807 4.037 1.00 0.00 H new ATOM 0 HA SER A 27 1.581 -1.584 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.549 -2.689 5.608 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.875 -3.705 5.079 1.00 0.00 H new ATOM 0 HG SER A 27 2.611 -1.882 6.330 1.00 0.00 H new ATOM 424 N GLY A 28 0.680 -3.975 1.643 1.00 0.00 N ATOM 425 CA GLY A 28 1.020 -5.159 0.797 1.00 0.00 C ATOM 426 C GLY A 28 1.736 -4.669 -0.454 1.00 0.00 C ATOM 427 O GLY A 28 2.717 -5.231 -0.900 1.00 0.00 O ATOM 0 H GLY A 28 -0.144 -3.450 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.655 -5.850 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.115 -5.704 0.527 1.00 0.00 H new ATOM 431 N ILE A 29 1.232 -3.613 -1.010 1.00 0.00 N ATOM 432 CA ILE A 29 1.825 -3.021 -2.228 1.00 0.00 C ATOM 433 C ILE A 29 3.297 -2.719 -1.994 1.00 0.00 C ATOM 434 O ILE A 29 4.128 -2.868 -2.869 1.00 0.00 O ATOM 435 CB ILE A 29 1.079 -1.731 -2.499 1.00 0.00 C ATOM 436 CG1 ILE A 29 1.632 -1.058 -3.742 1.00 0.00 C ATOM 437 CG2 ILE A 29 1.225 -0.793 -1.305 1.00 0.00 C ATOM 438 CD1 ILE A 29 0.906 0.264 -3.928 1.00 0.00 C ATOM 0 H ILE A 29 0.409 -3.122 -0.660 1.00 0.00 H new ATOM 0 HA ILE A 29 1.747 -3.707 -3.071 1.00 0.00 H new ATOM 0 HB ILE A 29 0.025 -1.960 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.704 -0.892 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.490 -1.696 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.687 0.134 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.812 -1.269 -0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.280 -0.573 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.287 0.767 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.162 0.079 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.071 0.896 -3.055 1.00 0.00 H new ATOM 450 N TYR A 30 3.618 -2.290 -0.817 1.00 0.00 N ATOM 451 CA TYR A 30 5.033 -1.963 -0.497 1.00 0.00 C ATOM 452 C TYR A 30 5.860 -3.246 -0.508 1.00 0.00 C ATOM 453 O TYR A 30 6.868 -3.340 -1.180 1.00 0.00 O ATOM 454 CB TYR A 30 5.093 -1.317 0.883 1.00 0.00 C ATOM 455 CG TYR A 30 3.988 -0.298 0.980 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.779 0.596 -0.071 1.00 0.00 C ATOM 457 CD2 TYR A 30 3.168 -0.255 2.109 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.751 1.540 0.002 1.00 0.00 C ATOM 459 CE2 TYR A 30 2.138 0.688 2.186 1.00 0.00 C ATOM 460 CZ TYR A 30 1.928 1.585 1.133 1.00 0.00 C ATOM 461 OH TYR A 30 0.913 2.515 1.215 1.00 0.00 O ATOM 0 H TYR A 30 2.959 -2.149 -0.052 1.00 0.00 H new ATOM 0 HA TYR A 30 5.435 -1.272 -1.238 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.981 -2.073 1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.062 -0.842 1.037 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.414 0.558 -0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.329 -0.948 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.592 2.232 -0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.504 0.724 3.059 1.00 0.00 H new ATOM 0 HH TYR A 30 1.288 3.388 1.454 1.00 0.00 H new ATOM 471 N ALA A 31 5.437 -4.240 0.219 1.00 0.00 N ATOM 472 CA ALA A 31 6.196 -5.518 0.233 1.00 0.00 C ATOM 473 C ALA A 31 6.216 -6.097 -1.183 1.00 0.00 C ATOM 474 O ALA A 31 7.000 -6.970 -1.498 1.00 0.00 O ATOM 475 CB ALA A 31 5.518 -6.510 1.181 1.00 0.00 C ATOM 0 H ALA A 31 4.601 -4.223 0.803 1.00 0.00 H new ATOM 0 HA ALA A 31 7.215 -5.337 0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.077 -7.446 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.494 -6.093 2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.499 -6.699 0.842 1.00 0.00 H new ATOM 481 N HIS A 32 5.354 -5.616 -2.043 1.00 0.00 N ATOM 482 CA HIS A 32 5.321 -6.136 -3.434 1.00 0.00 C ATOM 483 C HIS A 32 6.476 -5.534 -4.240 1.00 0.00 C ATOM 484 O HIS A 32 7.337 -6.235 -4.731 1.00 0.00 O ATOM 485 CB HIS A 32 3.989 -5.755 -4.080 1.00 0.00 C ATOM 486 CG HIS A 32 3.969 -6.241 -5.503 1.00 0.00 C ATOM 487 ND1 HIS A 32 3.050 -7.176 -5.951 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.753 -5.935 -6.588 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.301 -7.399 -7.254 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.330 -6.667 -7.693 1.00 0.00 N ATOM 0 H HIS A 32 4.673 -4.885 -1.837 1.00 0.00 H new ATOM 0 HA HIS A 32 5.425 -7.221 -3.420 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.162 -6.195 -3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.854 -4.674 -4.051 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.573 -5.233 -6.584 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.740 -8.086 -7.870 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.721 -6.649 -8.635 1.00 0.00 H new ATOM 498 N ILE A 33 6.493 -4.237 -4.387 1.00 0.00 N ATOM 499 CA ILE A 33 7.584 -3.586 -5.170 1.00 0.00 C ATOM 500 C ILE A 33 8.923 -3.731 -4.441 1.00 0.00 C ATOM 501 O ILE A 33 9.941 -3.973 -5.049 1.00 0.00 O ATOM 502 CB ILE A 33 7.271 -2.102 -5.347 1.00 0.00 C ATOM 503 CG1 ILE A 33 7.177 -1.430 -3.978 1.00 0.00 C ATOM 504 CG2 ILE A 33 5.941 -1.937 -6.083 1.00 0.00 C ATOM 505 CD1 ILE A 33 8.557 -0.910 -3.571 1.00 0.00 C ATOM 0 H ILE A 33 5.798 -3.599 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 33 7.652 -4.071 -6.144 1.00 0.00 H new ATOM 0 HB ILE A 33 8.067 -1.637 -5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.462 -0.608 -4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.811 -2.140 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.723 -0.876 -6.207 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.006 -2.411 -7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.145 -2.406 -5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.492 -0.430 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.259 -1.742 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.905 -0.186 -4.308 1.00 0.00 H new ATOM 517 N THR A 34 8.938 -3.574 -3.148 1.00 0.00 N ATOM 518 CA THR A 34 10.227 -3.693 -2.401 1.00 0.00 C ATOM 519 C THR A 34 10.847 -5.069 -2.651 1.00 0.00 C ATOM 520 O THR A 34 12.046 -5.242 -2.563 1.00 0.00 O ATOM 521 CB THR A 34 9.971 -3.529 -0.901 1.00 0.00 C ATOM 522 OG1 THR A 34 8.866 -4.335 -0.520 1.00 0.00 O ATOM 523 CG2 THR A 34 9.674 -2.065 -0.581 1.00 0.00 C ATOM 0 H THR A 34 8.119 -3.369 -2.575 1.00 0.00 H new ATOM 0 HA THR A 34 10.908 -2.915 -2.747 1.00 0.00 H new ATOM 0 HB THR A 34 10.857 -3.841 -0.348 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.032 -3.854 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.493 -1.956 0.488 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.526 -1.449 -0.869 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.791 -1.744 -1.133 1.00 0.00 H new ATOM 531 N LYS A 35 10.044 -6.049 -2.956 1.00 0.00 N ATOM 532 CA LYS A 35 10.595 -7.411 -3.202 1.00 0.00 C ATOM 533 C LYS A 35 11.226 -7.474 -4.595 1.00 0.00 C ATOM 534 O LYS A 35 12.159 -8.216 -4.828 1.00 0.00 O ATOM 535 CB LYS A 35 9.467 -8.441 -3.106 1.00 0.00 C ATOM 536 CG LYS A 35 9.910 -9.604 -2.216 1.00 0.00 C ATOM 537 CD LYS A 35 8.812 -9.912 -1.197 1.00 0.00 C ATOM 538 CE LYS A 35 8.901 -11.381 -0.778 1.00 0.00 C ATOM 539 NZ LYS A 35 8.126 -11.586 0.478 1.00 0.00 N ATOM 0 H LYS A 35 9.031 -5.967 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 35 11.357 -7.630 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.570 -7.976 -2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.210 -8.808 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.114 -10.485 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.837 -9.350 -1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.919 -9.267 -0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.833 -9.705 -1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.509 -12.020 -1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.942 -11.665 -0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.186 -12.584 0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.520 -10.986 1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.131 -11.331 0.317 1.00 0.00 H new ATOM 553 N HIS A 36 10.724 -6.709 -5.525 1.00 0.00 N ATOM 554 CA HIS A 36 11.297 -6.739 -6.902 1.00 0.00 C ATOM 555 C HIS A 36 12.104 -5.464 -7.160 1.00 0.00 C ATOM 556 O HIS A 36 12.987 -5.435 -7.995 1.00 0.00 O ATOM 557 CB HIS A 36 10.161 -6.832 -7.921 1.00 0.00 C ATOM 558 CG HIS A 36 9.376 -8.094 -7.684 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.429 -9.170 -8.556 1.00 0.00 N ATOM 560 CD2 HIS A 36 8.517 -8.466 -6.681 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.623 -10.128 -8.065 1.00 0.00 C ATOM 562 NE2 HIS A 36 8.041 -9.751 -6.923 1.00 0.00 N ATOM 0 H HIS A 36 9.944 -6.066 -5.392 1.00 0.00 H new ATOM 0 HA HIS A 36 11.953 -7.605 -6.998 1.00 0.00 H new ATOM 0 HB2 HIS A 36 9.508 -5.963 -7.834 1.00 0.00 H new ATOM 0 HB3 HIS A 36 10.565 -6.827 -8.933 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.251 -7.854 -5.832 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.465 -11.087 -8.537 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.389 -10.289 -6.352 1.00 0.00 H new ATOM 570 N TYR A 37 11.810 -4.409 -6.452 1.00 0.00 N ATOM 571 CA TYR A 37 12.557 -3.140 -6.660 1.00 0.00 C ATOM 572 C TYR A 37 13.632 -3.010 -5.572 1.00 0.00 C ATOM 573 O TYR A 37 13.313 -2.827 -4.414 1.00 0.00 O ATOM 574 CB TYR A 37 11.585 -1.958 -6.567 1.00 0.00 C ATOM 575 CG TYR A 37 11.392 -1.348 -7.930 1.00 0.00 C ATOM 576 CD1 TYR A 37 12.478 -1.205 -8.800 1.00 0.00 C ATOM 577 CD2 TYR A 37 10.118 -0.927 -8.323 1.00 0.00 C ATOM 578 CE1 TYR A 37 12.287 -0.640 -10.066 1.00 0.00 C ATOM 579 CE2 TYR A 37 9.926 -0.365 -9.586 1.00 0.00 C ATOM 580 CZ TYR A 37 11.012 -0.221 -10.460 1.00 0.00 C ATOM 581 OH TYR A 37 10.823 0.336 -11.707 1.00 0.00 O ATOM 0 H TYR A 37 11.083 -4.372 -5.737 1.00 0.00 H new ATOM 0 HA TYR A 37 13.028 -3.143 -7.643 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.627 -2.293 -6.170 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.973 -1.210 -5.875 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.462 -1.530 -8.495 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.282 -1.037 -7.649 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.124 -0.527 -10.739 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.941 -0.041 -9.890 1.00 0.00 H new ATOM 0 HH TYR A 37 9.882 0.247 -11.966 1.00 0.00 H new ATOM 591 N PRO A 38 14.878 -3.111 -5.972 1.00 0.00 N ATOM 592 CA PRO A 38 16.017 -3.011 -5.045 1.00 0.00 C ATOM 593 C PRO A 38 16.279 -1.546 -4.695 1.00 0.00 C ATOM 594 O PRO A 38 17.209 -0.936 -5.185 1.00 0.00 O ATOM 595 CB PRO A 38 17.184 -3.603 -5.840 1.00 0.00 C ATOM 596 CG PRO A 38 16.797 -3.483 -7.333 1.00 0.00 C ATOM 597 CD PRO A 38 15.265 -3.328 -7.380 1.00 0.00 C ATOM 0 HA PRO A 38 15.853 -3.528 -4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 38 18.108 -3.064 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.354 -4.644 -5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.287 -2.625 -7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.114 -4.366 -7.888 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.969 -2.488 -8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.787 -4.217 -7.791 1.00 0.00 H new ATOM 605 N TYR A 39 15.462 -0.976 -3.855 1.00 0.00 N ATOM 606 CA TYR A 39 15.660 0.450 -3.476 1.00 0.00 C ATOM 607 C TYR A 39 14.584 0.867 -2.470 1.00 0.00 C ATOM 608 O TYR A 39 14.873 1.441 -1.439 1.00 0.00 O ATOM 609 CB TYR A 39 15.554 1.328 -4.723 1.00 0.00 C ATOM 610 CG TYR A 39 15.889 2.755 -4.365 1.00 0.00 C ATOM 611 CD1 TYR A 39 17.219 3.192 -4.403 1.00 0.00 C ATOM 612 CD2 TYR A 39 14.872 3.644 -3.996 1.00 0.00 C ATOM 613 CE1 TYR A 39 17.531 4.516 -4.072 1.00 0.00 C ATOM 614 CE2 TYR A 39 15.184 4.967 -3.664 1.00 0.00 C ATOM 615 CZ TYR A 39 16.514 5.404 -3.703 1.00 0.00 C ATOM 616 OH TYR A 39 16.822 6.710 -3.380 1.00 0.00 O ATOM 0 H TYR A 39 14.665 -1.436 -3.414 1.00 0.00 H new ATOM 0 HA TYR A 39 16.645 0.571 -3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 39 16.234 0.966 -5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.546 1.272 -5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 39 18.004 2.507 -4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.846 3.308 -3.968 1.00 0.00 H new ATOM 0 HE1 TYR A 39 18.557 4.852 -4.101 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.399 5.651 -3.378 1.00 0.00 H new ATOM 0 HH TYR A 39 17.616 6.992 -3.880 1.00 0.00 H new ATOM 626 N TYR A 40 13.344 0.585 -2.763 1.00 0.00 N ATOM 627 CA TYR A 40 12.248 0.966 -1.828 1.00 0.00 C ATOM 628 C TYR A 40 12.339 0.123 -0.552 1.00 0.00 C ATOM 629 O TYR A 40 11.597 0.326 0.389 1.00 0.00 O ATOM 630 CB TYR A 40 10.897 0.721 -2.504 1.00 0.00 C ATOM 631 CG TYR A 40 10.405 2.002 -3.134 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.527 3.212 -2.440 1.00 0.00 C ATOM 633 CD2 TYR A 40 9.825 1.981 -4.408 1.00 0.00 C ATOM 634 CE1 TYR A 40 10.070 4.403 -3.020 1.00 0.00 C ATOM 635 CE2 TYR A 40 9.368 3.172 -4.987 1.00 0.00 C ATOM 636 CZ TYR A 40 9.490 4.382 -4.293 1.00 0.00 C ATOM 637 OH TYR A 40 9.039 5.554 -4.865 1.00 0.00 O ATOM 0 H TYR A 40 13.042 0.106 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 40 12.344 2.021 -1.570 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.994 -0.055 -3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.173 0.362 -1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.974 3.227 -1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.730 1.048 -4.944 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.165 5.336 -2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.921 3.157 -5.970 1.00 0.00 H new ATOM 0 HH TYR A 40 8.193 5.387 -5.330 1.00 0.00 H new ATOM 647 N ARG A 41 13.236 -0.825 -0.514 1.00 0.00 N ATOM 648 CA ARG A 41 13.365 -1.680 0.699 1.00 0.00 C ATOM 649 C ARG A 41 13.724 -0.818 1.912 1.00 0.00 C ATOM 650 O ARG A 41 13.605 -1.246 3.042 1.00 0.00 O ATOM 651 CB ARG A 41 14.464 -2.720 0.474 1.00 0.00 C ATOM 652 CG ARG A 41 14.693 -3.510 1.764 1.00 0.00 C ATOM 653 CD ARG A 41 15.838 -4.503 1.559 1.00 0.00 C ATOM 654 NE ARG A 41 15.828 -4.988 0.150 1.00 0.00 N ATOM 655 CZ ARG A 41 14.838 -5.721 -0.282 1.00 0.00 C ATOM 656 NH1 ARG A 41 14.249 -6.561 0.524 1.00 0.00 N ATOM 657 NH2 ARG A 41 14.437 -5.613 -1.519 1.00 0.00 N ATOM 0 H ARG A 41 13.884 -1.044 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 41 12.415 -2.181 0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.180 -3.396 -0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.387 -2.228 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.930 -2.830 2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.783 -4.041 2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.792 -4.026 1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 41 15.732 -5.343 2.245 1.00 0.00 H new ATOM 0 HE ARG A 41 16.595 -4.747 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.562 -6.645 1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.475 -7.134 0.187 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.897 -4.956 -2.149 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.663 -6.186 -1.856 1.00 0.00 H new ATOM 671 N THR A 42 14.166 0.391 1.692 1.00 0.00 N ATOM 672 CA THR A 42 14.533 1.264 2.845 1.00 0.00 C ATOM 673 C THR A 42 14.641 2.718 2.382 1.00 0.00 C ATOM 674 O THR A 42 15.434 3.485 2.891 1.00 0.00 O ATOM 675 CB THR A 42 15.878 0.810 3.420 1.00 0.00 C ATOM 676 OG1 THR A 42 16.214 -0.462 2.885 1.00 0.00 O ATOM 677 CG2 THR A 42 15.780 0.716 4.943 1.00 0.00 C ATOM 0 H THR A 42 14.288 0.810 0.770 1.00 0.00 H new ATOM 0 HA THR A 42 13.763 1.188 3.612 1.00 0.00 H new ATOM 0 HB THR A 42 16.650 1.532 3.153 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.075 -0.754 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.738 0.393 5.350 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.523 1.693 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.009 -0.005 5.214 1.00 0.00 H new ATOM 685 N ALA A 43 13.847 3.107 1.423 1.00 0.00 N ATOM 686 CA ALA A 43 13.903 4.513 0.932 1.00 0.00 C ATOM 687 C ALA A 43 12.506 4.947 0.484 1.00 0.00 C ATOM 688 O ALA A 43 12.148 4.825 -0.671 1.00 0.00 O ATOM 689 CB ALA A 43 14.871 4.604 -0.249 1.00 0.00 C ATOM 0 H ALA A 43 13.161 2.512 0.958 1.00 0.00 H new ATOM 0 HA ALA A 43 14.249 5.167 1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.912 5.632 -0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.865 4.292 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.527 3.953 -1.053 1.00 0.00 H new ATOM 695 N ASP A 44 11.711 5.448 1.390 1.00 0.00 N ATOM 696 CA ASP A 44 10.336 5.880 1.016 1.00 0.00 C ATOM 697 C ASP A 44 10.330 7.378 0.696 1.00 0.00 C ATOM 698 O ASP A 44 10.354 8.210 1.581 1.00 0.00 O ATOM 699 CB ASP A 44 9.381 5.608 2.181 1.00 0.00 C ATOM 700 CG ASP A 44 9.799 4.320 2.895 1.00 0.00 C ATOM 701 OD1 ASP A 44 9.959 3.317 2.220 1.00 0.00 O ATOM 702 OD2 ASP A 44 9.951 4.360 4.105 1.00 0.00 O ATOM 0 H ASP A 44 11.955 5.576 2.372 1.00 0.00 H new ATOM 0 HA ASP A 44 10.013 5.322 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.395 6.445 2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.359 5.517 1.813 1.00 0.00 H new ATOM 707 N LYS A 45 10.291 7.732 -0.564 1.00 0.00 N ATOM 708 CA LYS A 45 10.276 9.175 -0.931 1.00 0.00 C ATOM 709 C LYS A 45 8.879 9.746 -0.680 1.00 0.00 C ATOM 710 O LYS A 45 8.630 10.389 0.321 1.00 0.00 O ATOM 711 CB LYS A 45 10.637 9.329 -2.414 1.00 0.00 C ATOM 712 CG LYS A 45 10.247 10.728 -2.902 1.00 0.00 C ATOM 713 CD LYS A 45 10.855 11.786 -1.979 1.00 0.00 C ATOM 714 CE LYS A 45 10.194 13.139 -2.248 1.00 0.00 C ATOM 715 NZ LYS A 45 11.028 13.921 -3.205 1.00 0.00 N ATOM 0 H LYS A 45 10.269 7.083 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 45 11.004 9.715 -0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.706 9.170 -2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.121 8.571 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.598 10.878 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.162 10.828 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.712 11.500 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.930 11.855 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.194 12.992 -2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.079 13.691 -1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.578 14.841 -3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.973 14.073 -2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.116 13.396 -4.098 1.00 0.00 H new ATOM 729 N GLY A 46 7.964 9.520 -1.584 1.00 0.00 N ATOM 730 CA GLY A 46 6.585 10.052 -1.396 1.00 0.00 C ATOM 731 C GLY A 46 5.569 9.045 -1.939 1.00 0.00 C ATOM 732 O GLY A 46 4.640 9.400 -2.638 1.00 0.00 O ATOM 0 H GLY A 46 8.112 8.991 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.397 10.239 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.479 11.006 -1.912 1.00 0.00 H new ATOM 736 N TRP A 47 5.735 7.789 -1.622 1.00 0.00 N ATOM 737 CA TRP A 47 4.774 6.769 -2.119 1.00 0.00 C ATOM 738 C TRP A 47 4.222 5.945 -0.945 1.00 0.00 C ATOM 739 O TRP A 47 3.269 5.208 -1.097 1.00 0.00 O ATOM 740 CB TRP A 47 5.479 5.853 -3.121 1.00 0.00 C ATOM 741 CG TRP A 47 6.388 4.911 -2.404 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.451 5.270 -1.650 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.338 3.458 -2.377 1.00 0.00 C ATOM 744 NE1 TRP A 47 8.056 4.127 -1.159 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.407 2.986 -1.580 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.476 2.514 -2.960 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.615 1.624 -1.371 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.683 1.143 -2.751 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.751 0.699 -1.959 1.00 0.00 C ATOM 0 H TRP A 47 6.493 7.428 -1.042 1.00 0.00 H new ATOM 0 HA TRP A 47 3.941 7.269 -2.613 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.741 5.292 -3.695 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.049 6.450 -3.833 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.775 6.283 -1.462 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.881 4.128 -0.559 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.650 2.846 -3.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.438 1.287 -0.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.015 0.425 -3.203 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.905 -0.359 -1.804 1.00 0.00 H new ATOM 760 N GLN A 48 4.808 6.063 0.222 1.00 0.00 N ATOM 761 CA GLN A 48 4.299 5.278 1.394 1.00 0.00 C ATOM 762 C GLN A 48 2.780 5.484 1.529 1.00 0.00 C ATOM 763 O GLN A 48 2.003 4.885 0.812 1.00 0.00 O ATOM 764 CB GLN A 48 5.010 5.709 2.695 1.00 0.00 C ATOM 765 CG GLN A 48 5.618 7.116 2.561 1.00 0.00 C ATOM 766 CD GLN A 48 4.589 8.082 1.972 1.00 0.00 C ATOM 767 OE1 GLN A 48 3.567 8.343 2.572 1.00 0.00 O ATOM 768 NE2 GLN A 48 4.837 8.658 0.832 1.00 0.00 N ATOM 0 H GLN A 48 5.610 6.663 0.415 1.00 0.00 H new ATOM 0 HA GLN A 48 4.510 4.222 1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.300 5.695 3.522 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.795 4.993 2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.946 7.473 3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.501 7.079 1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.696 8.440 0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.173 9.328 0.444 1.00 0.00 H new ATOM 777 N ASN A 49 2.343 6.324 2.432 1.00 0.00 N ATOM 778 CA ASN A 49 0.879 6.557 2.584 1.00 0.00 C ATOM 779 C ASN A 49 0.330 7.118 1.274 1.00 0.00 C ATOM 780 O ASN A 49 -0.821 6.927 0.939 1.00 0.00 O ATOM 781 CB ASN A 49 0.634 7.557 3.716 1.00 0.00 C ATOM 782 CG ASN A 49 -0.788 7.383 4.253 1.00 0.00 C ATOM 783 OD1 ASN A 49 -1.302 6.283 4.298 1.00 0.00 O ATOM 784 ND2 ASN A 49 -1.450 8.429 4.666 1.00 0.00 N ATOM 0 H ASN A 49 2.936 6.856 3.068 1.00 0.00 H new ATOM 0 HA ASN A 49 0.377 5.619 2.823 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.358 7.401 4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.775 8.575 3.353 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.398 8.323 5.026 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.019 9.353 4.629 1.00 0.00 H new ATOM 791 N SER A 50 1.150 7.801 0.523 1.00 0.00 N ATOM 792 CA SER A 50 0.673 8.359 -0.771 1.00 0.00 C ATOM 793 C SER A 50 0.048 7.227 -1.584 1.00 0.00 C ATOM 794 O SER A 50 -0.861 7.432 -2.363 1.00 0.00 O ATOM 795 CB SER A 50 1.855 8.948 -1.543 1.00 0.00 C ATOM 796 OG SER A 50 1.675 10.352 -1.677 1.00 0.00 O ATOM 0 H SER A 50 2.125 7.995 0.749 1.00 0.00 H new ATOM 0 HA SER A 50 -0.062 9.144 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.788 8.738 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.930 8.484 -2.526 1.00 0.00 H new ATOM 0 HG SER A 50 2.494 10.754 -2.035 1.00 0.00 H new ATOM 802 N ILE A 51 0.528 6.028 -1.394 1.00 0.00 N ATOM 803 CA ILE A 51 -0.033 4.869 -2.139 1.00 0.00 C ATOM 804 C ILE A 51 -1.502 4.685 -1.731 1.00 0.00 C ATOM 805 O ILE A 51 -2.386 4.662 -2.564 1.00 0.00 O ATOM 806 CB ILE A 51 0.816 3.617 -1.817 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.421 3.085 -3.113 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.027 2.500 -1.184 1.00 0.00 C ATOM 809 CD1 ILE A 51 2.097 4.223 -3.883 1.00 0.00 C ATOM 0 H ILE A 51 1.288 5.802 -0.752 1.00 0.00 H new ATOM 0 HA ILE A 51 0.001 5.035 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 51 1.588 3.910 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.148 2.304 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.643 2.631 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.608 1.639 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.469 2.860 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.819 2.207 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.526 3.833 -4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.360 4.990 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.888 4.657 -3.271 1.00 0.00 H new ATOM 821 N ARG A 52 -1.767 4.568 -0.457 1.00 0.00 N ATOM 822 CA ARG A 52 -3.175 4.401 -0.004 1.00 0.00 C ATOM 823 C ARG A 52 -3.973 5.622 -0.452 1.00 0.00 C ATOM 824 O ARG A 52 -5.097 5.519 -0.900 1.00 0.00 O ATOM 825 CB ARG A 52 -3.210 4.292 1.523 1.00 0.00 C ATOM 826 CG ARG A 52 -4.662 4.289 2.009 1.00 0.00 C ATOM 827 CD ARG A 52 -4.746 4.983 3.369 1.00 0.00 C ATOM 828 NE ARG A 52 -4.969 6.443 3.169 1.00 0.00 N ATOM 829 CZ ARG A 52 -5.655 7.124 4.046 1.00 0.00 C ATOM 830 NH1 ARG A 52 -5.672 6.748 5.294 1.00 0.00 N ATOM 831 NH2 ARG A 52 -6.326 8.179 3.673 1.00 0.00 N ATOM 0 H ARG A 52 -1.069 4.581 0.287 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.605 3.496 -0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.708 3.379 1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.669 5.127 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.299 4.801 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.028 3.265 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.559 4.557 3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.826 4.818 3.931 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.586 6.910 2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.149 5.922 5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.208 7.280 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.314 8.472 2.696 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.862 8.711 4.358 1.00 0.00 H new ATOM 845 N HIS A 53 -3.386 6.780 -0.345 1.00 0.00 N ATOM 846 CA HIS A 53 -4.085 8.018 -0.773 1.00 0.00 C ATOM 847 C HIS A 53 -4.232 8.000 -2.296 1.00 0.00 C ATOM 848 O HIS A 53 -5.136 8.589 -2.853 1.00 0.00 O ATOM 849 CB HIS A 53 -3.256 9.230 -0.345 1.00 0.00 C ATOM 850 CG HIS A 53 -4.069 10.484 -0.518 1.00 0.00 C ATOM 851 ND1 HIS A 53 -4.062 11.212 -1.696 1.00 0.00 N ATOM 852 CD2 HIS A 53 -4.917 11.150 0.331 1.00 0.00 C ATOM 853 CE1 HIS A 53 -4.883 12.265 -1.525 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.430 12.275 -0.307 1.00 0.00 N ATOM 0 H HIS A 53 -2.445 6.921 0.023 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.072 8.075 -0.313 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.949 9.124 0.696 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.346 9.290 -0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.151 10.847 1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.076 13.011 -2.281 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.083 12.960 0.074 1.00 0.00 H new ATOM 862 N ASN A 54 -3.343 7.320 -2.971 1.00 0.00 N ATOM 863 CA ASN A 54 -3.418 7.249 -4.458 1.00 0.00 C ATOM 864 C ASN A 54 -4.608 6.386 -4.874 1.00 0.00 C ATOM 865 O ASN A 54 -5.255 6.644 -5.870 1.00 0.00 O ATOM 866 CB ASN A 54 -2.131 6.625 -5.000 1.00 0.00 C ATOM 867 CG ASN A 54 -1.125 7.732 -5.314 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.418 8.636 -6.072 1.00 0.00 O ATOM 869 ND2 ASN A 54 0.055 7.702 -4.760 1.00 0.00 N ATOM 0 H ASN A 54 -2.565 6.809 -2.553 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.541 8.254 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.712 5.934 -4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.344 6.046 -5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.732 8.437 -4.963 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.301 6.943 -4.124 1.00 0.00 H new ATOM 876 N LEU A 55 -4.894 5.354 -4.130 1.00 0.00 N ATOM 877 CA LEU A 55 -6.032 4.465 -4.492 1.00 0.00 C ATOM 878 C LEU A 55 -7.357 5.217 -4.337 1.00 0.00 C ATOM 879 O LEU A 55 -8.400 4.743 -4.739 1.00 0.00 O ATOM 880 CB LEU A 55 -6.033 3.244 -3.571 1.00 0.00 C ATOM 881 CG LEU A 55 -4.619 2.672 -3.469 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.658 1.349 -2.703 1.00 0.00 C ATOM 883 CD2 LEU A 55 -4.064 2.432 -4.875 1.00 0.00 C ATOM 0 H LEU A 55 -4.388 5.088 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.921 4.148 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.394 3.524 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.715 2.486 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.978 3.378 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.650 0.941 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.054 1.520 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.298 0.642 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.056 2.024 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.704 1.726 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.036 3.375 -5.421 1.00 0.00 H new ATOM 895 N SER A 56 -7.329 6.385 -3.756 1.00 0.00 N ATOM 896 CA SER A 56 -8.593 7.154 -3.579 1.00 0.00 C ATOM 897 C SER A 56 -8.891 7.950 -4.851 1.00 0.00 C ATOM 898 O SER A 56 -10.022 8.048 -5.283 1.00 0.00 O ATOM 899 CB SER A 56 -8.446 8.115 -2.399 1.00 0.00 C ATOM 900 OG SER A 56 -9.642 8.869 -2.255 1.00 0.00 O ATOM 0 H SER A 56 -6.489 6.839 -3.397 1.00 0.00 H new ATOM 0 HA SER A 56 -9.412 6.462 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.242 7.558 -1.485 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.599 8.782 -2.562 1.00 0.00 H new ATOM 0 HG SER A 56 -9.551 9.485 -1.498 1.00 0.00 H new ATOM 906 N LEU A 57 -7.886 8.522 -5.452 1.00 0.00 N ATOM 907 CA LEU A 57 -8.112 9.313 -6.690 1.00 0.00 C ATOM 908 C LEU A 57 -8.118 8.380 -7.905 1.00 0.00 C ATOM 909 O LEU A 57 -8.675 8.697 -8.937 1.00 0.00 O ATOM 910 CB LEU A 57 -6.992 10.342 -6.840 1.00 0.00 C ATOM 911 CG LEU A 57 -5.647 9.623 -6.945 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.278 9.447 -8.419 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.569 10.455 -6.245 1.00 0.00 C ATOM 0 H LEU A 57 -6.917 8.475 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.073 9.823 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.161 10.951 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.989 11.018 -5.985 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.718 8.645 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.319 8.934 -8.495 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.046 8.856 -8.918 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.206 10.425 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.609 9.943 -6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.497 11.432 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.832 10.582 -5.195 1.00 0.00 H new ATOM 925 N ASN A 58 -7.504 7.236 -7.792 1.00 0.00 N ATOM 926 CA ASN A 58 -7.476 6.290 -8.945 1.00 0.00 C ATOM 927 C ASN A 58 -8.877 5.717 -9.169 1.00 0.00 C ATOM 928 O ASN A 58 -9.620 5.482 -8.237 1.00 0.00 O ATOM 929 CB ASN A 58 -6.499 5.151 -8.657 1.00 0.00 C ATOM 930 CG ASN A 58 -5.077 5.600 -9.006 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.732 5.713 -10.165 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.232 5.858 -8.047 1.00 0.00 N ATOM 0 H ASN A 58 -7.021 6.914 -6.953 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.152 6.823 -9.839 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.555 4.866 -7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.768 4.270 -9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.282 6.155 -8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.521 5.763 -7.073 1.00 0.00 H new ATOM 939 N ARG A 59 -9.246 5.502 -10.401 1.00 0.00 N ATOM 940 CA ARG A 59 -10.602 4.956 -10.691 1.00 0.00 C ATOM 941 C ARG A 59 -10.564 3.424 -10.737 1.00 0.00 C ATOM 942 O ARG A 59 -11.556 2.766 -10.489 1.00 0.00 O ATOM 943 CB ARG A 59 -11.081 5.490 -12.042 1.00 0.00 C ATOM 944 CG ARG A 59 -12.424 4.849 -12.395 1.00 0.00 C ATOM 945 CD ARG A 59 -13.467 5.944 -12.626 1.00 0.00 C ATOM 946 NE ARG A 59 -14.623 5.377 -13.375 1.00 0.00 N ATOM 947 CZ ARG A 59 -15.779 5.236 -12.784 1.00 0.00 C ATOM 948 NH1 ARG A 59 -16.543 6.276 -12.591 1.00 0.00 N ATOM 949 NH2 ARG A 59 -16.170 4.055 -12.385 1.00 0.00 N ATOM 0 H ARG A 59 -8.666 5.681 -11.221 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.285 5.268 -9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.183 6.574 -12.001 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.345 5.268 -12.815 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.322 4.235 -13.290 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.747 4.189 -11.590 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.802 6.350 -11.671 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.026 6.769 -13.186 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.512 5.099 -14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.237 7.198 -12.902 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.446 6.167 -12.130 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.572 3.242 -12.535 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.073 3.946 -11.923 1.00 0.00 H new ATOM 963 N TYR A 60 -9.440 2.845 -11.072 1.00 0.00 N ATOM 964 CA TYR A 60 -9.374 1.352 -11.150 1.00 0.00 C ATOM 965 C TYR A 60 -9.144 0.737 -9.768 1.00 0.00 C ATOM 966 O TYR A 60 -9.453 -0.414 -9.543 1.00 0.00 O ATOM 967 CB TYR A 60 -8.243 0.899 -12.088 1.00 0.00 C ATOM 968 CG TYR A 60 -7.116 1.908 -12.114 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.474 2.297 -10.930 1.00 0.00 C ATOM 970 CD2 TYR A 60 -6.716 2.457 -13.336 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.435 3.235 -10.978 1.00 0.00 C ATOM 972 CE2 TYR A 60 -5.679 3.393 -13.382 1.00 0.00 C ATOM 973 CZ TYR A 60 -5.039 3.783 -12.202 1.00 0.00 C ATOM 974 OH TYR A 60 -4.014 4.706 -12.246 1.00 0.00 O ATOM 0 H TYR A 60 -8.573 3.334 -11.293 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.331 1.010 -11.543 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.861 -0.068 -11.761 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.636 0.762 -13.096 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.780 1.875 -9.984 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.210 2.157 -14.248 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.938 3.536 -10.067 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.373 3.814 -14.328 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.131 5.359 -11.525 1.00 0.00 H new ATOM 984 N PHE A 61 -8.593 1.468 -8.843 1.00 0.00 N ATOM 985 CA PHE A 61 -8.343 0.869 -7.502 1.00 0.00 C ATOM 986 C PHE A 61 -9.593 0.968 -6.633 1.00 0.00 C ATOM 987 O PHE A 61 -10.082 2.040 -6.334 1.00 0.00 O ATOM 988 CB PHE A 61 -7.163 1.574 -6.844 1.00 0.00 C ATOM 989 CG PHE A 61 -5.917 1.164 -7.586 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.566 -0.190 -7.663 1.00 0.00 C ATOM 991 CD2 PHE A 61 -5.126 2.126 -8.222 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.426 -0.575 -8.369 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.988 1.738 -8.930 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.639 0.387 -9.003 1.00 0.00 C ATOM 0 H PHE A 61 -8.308 2.441 -8.952 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.101 -0.188 -7.617 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.293 2.656 -6.882 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.090 1.299 -5.792 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.177 -0.935 -7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.396 3.170 -8.165 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.152 -1.618 -8.425 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.377 2.481 -9.421 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.758 0.087 -9.551 1.00 0.00 H new ATOM 1004 N ILE A 62 -10.118 -0.161 -6.238 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.347 -0.168 -5.396 1.00 0.00 C ATOM 1006 C ILE A 62 -11.039 -0.808 -4.035 1.00 0.00 C ATOM 1007 O ILE A 62 -9.908 -1.128 -3.730 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.445 -0.968 -6.117 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -12.225 -2.472 -5.909 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.401 -0.663 -7.616 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.389 -3.249 -6.527 1.00 0.00 C ATOM 0 H ILE A 62 -9.745 -1.083 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.689 0.854 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.414 -0.683 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.285 -2.779 -6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.149 -2.695 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.180 -1.231 -8.126 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.565 0.403 -7.775 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.427 -0.944 -8.016 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.232 -4.318 -6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.321 -2.949 -6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.444 -3.035 -7.594 1.00 0.00 H new ATOM 1023 N LYS A 63 -12.042 -1.001 -3.221 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.816 -1.624 -1.887 1.00 0.00 C ATOM 1025 C LYS A 63 -12.778 -2.802 -1.712 1.00 0.00 C ATOM 1026 O LYS A 63 -13.949 -2.708 -2.019 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.072 -0.586 -0.789 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.197 0.645 -1.030 1.00 0.00 C ATOM 1029 CD LYS A 63 -11.564 1.737 -0.022 1.00 0.00 C ATOM 1030 CE LYS A 63 -10.420 1.918 0.978 1.00 0.00 C ATOM 1031 NZ LYS A 63 -10.892 1.547 2.341 1.00 0.00 N ATOM 0 H LYS A 63 -13.010 -0.753 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.788 -1.978 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.124 -0.301 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.852 -1.015 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.144 0.381 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.338 1.011 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.758 2.675 -0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.480 1.468 0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.571 1.296 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.075 2.952 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.116 1.669 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.689 2.158 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.201 0.554 2.343 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.293 -3.913 -1.224 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.183 -5.095 -1.036 1.00 0.00 C ATOM 1047 C VAL A 64 -13.975 -5.043 0.293 1.00 0.00 C ATOM 1048 O VAL A 64 -15.031 -5.638 0.379 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.355 -6.383 -1.089 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -11.534 -6.407 -2.378 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -11.413 -6.446 0.115 1.00 0.00 C ATOM 0 H VAL A 64 -11.321 -4.053 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.910 -5.078 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.026 -7.242 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.944 -7.323 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.204 -6.370 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.867 -5.545 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.827 -7.364 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.743 -5.587 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.997 -6.432 1.035 1.00 0.00 H new ATOM 1061 N PRO A 65 -13.466 -4.356 1.291 1.00 0.00 N ATOM 1062 CA PRO A 65 -14.143 -4.257 2.595 1.00 0.00 C ATOM 1063 C PRO A 65 -15.244 -3.195 2.541 1.00 0.00 C ATOM 1064 O PRO A 65 -15.324 -2.418 1.609 1.00 0.00 O ATOM 1065 CB PRO A 65 -13.023 -3.836 3.550 1.00 0.00 C ATOM 1066 CG PRO A 65 -11.933 -3.174 2.677 1.00 0.00 C ATOM 1067 CD PRO A 65 -12.193 -3.623 1.226 1.00 0.00 C ATOM 0 HA PRO A 65 -14.628 -5.184 2.900 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.395 -3.140 4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.623 -4.698 4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.978 -2.088 2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.938 -3.478 3.004 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.261 -2.769 0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.388 -4.258 0.856 1.00 0.00 H new ATOM 1075 N ARG A 66 -16.090 -3.152 3.532 1.00 0.00 N ATOM 1076 CA ARG A 66 -17.181 -2.139 3.533 1.00 0.00 C ATOM 1077 C ARG A 66 -16.620 -0.791 3.991 1.00 0.00 C ATOM 1078 O ARG A 66 -16.344 0.081 3.191 1.00 0.00 O ATOM 1079 CB ARG A 66 -18.292 -2.581 4.488 1.00 0.00 C ATOM 1080 CG ARG A 66 -19.360 -3.349 3.705 1.00 0.00 C ATOM 1081 CD ARG A 66 -20.595 -3.547 4.585 1.00 0.00 C ATOM 1082 NE ARG A 66 -20.911 -5.000 4.676 1.00 0.00 N ATOM 1083 CZ ARG A 66 -22.016 -5.394 5.246 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -23.139 -5.364 4.581 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -22.001 -5.816 6.481 1.00 0.00 N ATOM 0 H ARG A 66 -16.073 -3.774 4.340 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.588 -2.043 2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.880 -3.211 5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.736 -1.712 4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -19.628 -2.801 2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.968 -4.315 3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.415 -3.140 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -21.443 -3.005 4.167 1.00 0.00 H new ATOM 0 HE ARG A 66 -20.263 -5.687 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -23.152 -5.033 3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -24.004 -5.672 5.026 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -21.124 -5.838 7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -22.866 -6.124 6.925 1.00 0.00 H new ATOM 1099 N SER A 67 -16.445 -0.614 5.272 1.00 0.00 N ATOM 1100 CA SER A 67 -15.901 0.676 5.779 1.00 0.00 C ATOM 1101 C SER A 67 -14.789 0.397 6.793 1.00 0.00 C ATOM 1102 O SER A 67 -14.217 -0.674 6.822 1.00 0.00 O ATOM 1103 CB SER A 67 -17.019 1.472 6.452 1.00 0.00 C ATOM 1104 OG SER A 67 -16.994 1.225 7.850 1.00 0.00 O ATOM 0 H SER A 67 -16.656 -1.308 5.989 1.00 0.00 H new ATOM 0 HA SER A 67 -15.497 1.252 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.891 2.537 6.257 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.986 1.185 6.038 1.00 0.00 H new ATOM 0 HG SER A 67 -17.709 1.735 8.285 1.00 0.00 H new ATOM 1110 N GLN A 68 -14.479 1.353 7.627 1.00 0.00 N ATOM 1111 CA GLN A 68 -13.405 1.140 8.639 1.00 0.00 C ATOM 1112 C GLN A 68 -14.036 0.772 9.985 1.00 0.00 C ATOM 1113 O GLN A 68 -14.493 1.625 10.718 1.00 0.00 O ATOM 1114 CB GLN A 68 -12.591 2.426 8.795 1.00 0.00 C ATOM 1115 CG GLN A 68 -11.428 2.177 9.759 1.00 0.00 C ATOM 1116 CD GLN A 68 -10.102 2.414 9.035 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -9.703 1.628 8.199 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -9.396 3.474 9.322 1.00 0.00 N ATOM 0 H GLN A 68 -14.923 2.271 7.651 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.752 0.332 8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.212 2.749 7.826 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.226 3.228 9.172 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.508 2.841 10.620 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.469 1.156 10.139 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.730 4.135 10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.510 3.642 8.844 1.00 0.00 H new ATOM 1127 N GLU A 69 -14.067 -0.492 10.317 1.00 0.00 N ATOM 1128 CA GLU A 69 -14.670 -0.904 11.615 1.00 0.00 C ATOM 1129 C GLU A 69 -13.573 -1.024 12.675 1.00 0.00 C ATOM 1130 O GLU A 69 -13.722 -0.566 13.790 1.00 0.00 O ATOM 1131 CB GLU A 69 -15.364 -2.258 11.449 1.00 0.00 C ATOM 1132 CG GLU A 69 -16.452 -2.408 12.515 1.00 0.00 C ATOM 1133 CD GLU A 69 -17.187 -3.734 12.310 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -16.642 -4.594 11.639 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -18.284 -3.866 12.828 1.00 0.00 O ATOM 0 H GLU A 69 -13.701 -1.254 9.746 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.398 -0.156 11.928 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.802 -2.335 10.454 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.637 -3.065 11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.008 -2.376 13.510 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.155 -1.577 12.452 1.00 0.00 H new ATOM 1142 N GLU A 70 -12.473 -1.636 12.335 1.00 0.00 N ATOM 1143 CA GLU A 70 -11.369 -1.785 13.324 1.00 0.00 C ATOM 1144 C GLU A 70 -10.549 -0.494 13.375 1.00 0.00 C ATOM 1145 O GLU A 70 -10.382 0.172 12.371 1.00 0.00 O ATOM 1146 CB GLU A 70 -10.463 -2.945 12.907 1.00 0.00 C ATOM 1147 CG GLU A 70 -10.803 -4.184 13.735 1.00 0.00 C ATOM 1148 CD GLU A 70 -10.836 -5.412 12.824 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.283 -5.334 11.739 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -11.415 -6.409 13.224 1.00 0.00 O ATOM 0 H GLU A 70 -12.291 -2.039 11.416 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.791 -1.987 14.309 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.592 -3.158 11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.417 -2.674 13.052 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.063 -4.322 14.523 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.769 -4.054 14.224 1.00 0.00 H new ATOM 1157 N PRO A 71 -10.058 -0.179 14.547 1.00 0.00 N ATOM 1158 CA PRO A 71 -9.244 1.028 14.767 1.00 0.00 C ATOM 1159 C PRO A 71 -7.809 0.795 14.283 1.00 0.00 C ATOM 1160 O PRO A 71 -7.026 1.716 14.161 1.00 0.00 O ATOM 1161 CB PRO A 71 -9.284 1.217 16.285 1.00 0.00 C ATOM 1162 CG PRO A 71 -9.623 -0.167 16.890 1.00 0.00 C ATOM 1163 CD PRO A 71 -10.269 -0.995 15.761 1.00 0.00 C ATOM 0 HA PRO A 71 -9.611 1.900 14.226 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.325 1.579 16.657 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -10.034 1.957 16.564 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.724 -0.657 17.264 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.305 -0.064 17.734 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.801 -1.975 15.668 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.329 -1.164 15.948 1.00 0.00 H new ATOM 1171 N GLY A 72 -7.459 -0.433 14.008 1.00 0.00 N ATOM 1172 CA GLY A 72 -6.077 -0.724 13.534 1.00 0.00 C ATOM 1173 C GLY A 72 -5.989 -0.476 12.028 1.00 0.00 C ATOM 1174 O GLY A 72 -6.394 0.557 11.534 1.00 0.00 O ATOM 0 H GLY A 72 -8.070 -1.245 14.091 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.361 -0.092 14.059 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.815 -1.758 13.759 1.00 0.00 H new ATOM 1178 N LYS A 73 -5.459 -1.416 11.293 1.00 0.00 N ATOM 1179 CA LYS A 73 -5.341 -1.232 9.819 1.00 0.00 C ATOM 1180 C LYS A 73 -5.865 -2.481 9.104 1.00 0.00 C ATOM 1181 O LYS A 73 -5.137 -3.158 8.405 1.00 0.00 O ATOM 1182 CB LYS A 73 -3.871 -1.015 9.454 1.00 0.00 C ATOM 1183 CG LYS A 73 -2.998 -1.969 10.272 1.00 0.00 C ATOM 1184 CD LYS A 73 -1.528 -1.761 9.904 1.00 0.00 C ATOM 1185 CE LYS A 73 -0.639 -2.266 11.044 1.00 0.00 C ATOM 1186 NZ LYS A 73 0.791 -2.033 10.701 1.00 0.00 N ATOM 0 H LYS A 73 -5.103 -2.303 11.650 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.927 -0.366 9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.720 -1.189 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.584 0.018 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.146 -1.790 11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.289 -3.001 10.078 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.294 -2.294 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.335 -0.704 9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.890 -1.750 11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.815 -3.328 11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.394 -2.376 11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.026 -2.544 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.953 -1.015 10.561 1.00 0.00 H new ATOM 1200 N GLY A 74 -7.121 -2.793 9.274 1.00 0.00 N ATOM 1201 CA GLY A 74 -7.686 -4.000 8.603 1.00 0.00 C ATOM 1202 C GLY A 74 -8.378 -3.583 7.303 1.00 0.00 C ATOM 1203 O GLY A 74 -9.513 -3.150 7.303 1.00 0.00 O ATOM 0 H GLY A 74 -7.780 -2.266 9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.893 -4.717 8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.397 -4.497 9.263 1.00 0.00 H new ATOM 1207 N SER A 75 -7.704 -3.713 6.193 1.00 0.00 N ATOM 1208 CA SER A 75 -8.325 -3.326 4.895 1.00 0.00 C ATOM 1209 C SER A 75 -7.589 -4.020 3.747 1.00 0.00 C ATOM 1210 O SER A 75 -6.398 -4.257 3.813 1.00 0.00 O ATOM 1211 CB SER A 75 -8.231 -1.810 4.715 1.00 0.00 C ATOM 1212 OG SER A 75 -8.834 -1.164 5.829 1.00 0.00 O ATOM 0 H SER A 75 -6.751 -4.070 6.129 1.00 0.00 H new ATOM 0 HA SER A 75 -9.372 -3.629 4.892 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.188 -1.507 4.626 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.730 -1.511 3.793 1.00 0.00 H new ATOM 0 HG SER A 75 -9.398 -1.804 6.312 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.287 -4.341 2.693 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.630 -5.014 1.538 1.00 0.00 C ATOM 1220 C PHE A 76 -7.856 -4.182 0.277 1.00 0.00 C ATOM 1221 O PHE A 76 -8.951 -4.113 -0.248 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.233 -6.406 1.342 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.132 -7.397 1.051 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.013 -7.002 0.310 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -7.233 -8.711 1.522 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -4.993 -7.922 0.040 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -6.213 -9.630 1.253 1.00 0.00 C ATOM 1228 CZ PHE A 76 -5.093 -9.236 0.511 1.00 0.00 C ATOM 0 H PHE A 76 -9.286 -4.166 2.582 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.561 -5.108 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.780 -6.706 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.949 -6.391 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.936 -5.988 -0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.098 -9.015 2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.129 -7.618 -0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.290 -10.644 1.618 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.306 -9.946 0.302 1.00 0.00 H new ATOM 1238 N TRP A 77 -6.829 -3.547 -0.214 1.00 0.00 N ATOM 1239 CA TRP A 77 -6.985 -2.717 -1.439 1.00 0.00 C ATOM 1240 C TRP A 77 -6.972 -3.616 -2.676 1.00 0.00 C ATOM 1241 O TRP A 77 -6.404 -4.690 -2.667 1.00 0.00 O ATOM 1242 CB TRP A 77 -5.829 -1.721 -1.523 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.297 -0.379 -1.065 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.937 0.216 0.094 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -7.203 0.541 -1.736 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.564 1.447 0.177 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -7.354 1.692 -0.928 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.901 0.490 -2.956 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -8.170 2.755 -1.316 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.721 1.558 -3.351 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.854 2.688 -2.533 1.00 0.00 C ATOM 0 H TRP A 77 -5.889 -3.567 0.180 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.932 -2.179 -1.395 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.997 -2.059 -0.905 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.461 -1.660 -2.547 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.270 -0.201 0.834 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.456 2.094 0.958 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.805 -0.377 -3.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -8.272 3.623 -0.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -9.252 1.509 -4.290 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.485 3.508 -2.843 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.590 -3.184 -3.743 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.604 -4.017 -4.979 1.00 0.00 C ATOM 1264 C ARG A 78 -7.861 -3.130 -6.196 1.00 0.00 C ATOM 1265 O ARG A 78 -8.174 -1.963 -6.075 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.704 -5.075 -4.880 1.00 0.00 C ATOM 1267 CG ARG A 78 -10.026 -4.408 -4.494 1.00 0.00 C ATOM 1268 CD ARG A 78 -11.171 -5.078 -5.254 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.946 -6.550 -5.296 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.151 -7.212 -6.402 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -10.180 -7.367 -7.260 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.327 -7.719 -6.650 1.00 0.00 N ATOM 0 H ARG A 78 -8.084 -2.294 -3.812 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.638 -4.510 -5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.811 -5.593 -5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.434 -5.826 -4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.189 -4.492 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.992 -3.344 -4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.122 -4.859 -4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.231 -4.680 -6.267 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.631 -7.041 -4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.260 -6.971 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.341 -7.884 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.086 -7.598 -5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.487 -8.236 -7.514 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.722 -3.679 -7.370 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.949 -2.871 -8.599 1.00 0.00 C ATOM 1288 C ILE A 79 -9.052 -3.512 -9.447 1.00 0.00 C ATOM 1289 O ILE A 79 -9.254 -4.709 -9.422 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.649 -2.802 -9.400 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.871 -1.989 -10.673 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -6.197 -4.212 -9.769 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.745 -0.965 -10.821 1.00 0.00 C ATOM 0 H ILE A 79 -7.461 -4.652 -7.531 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.260 -1.864 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.880 -2.322 -8.794 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.894 -2.649 -11.540 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.835 -1.483 -10.631 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.270 -4.159 -10.340 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.031 -4.790 -8.860 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.967 -4.695 -10.371 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.900 -0.382 -11.729 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.743 -0.299 -9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.788 -1.483 -10.881 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.772 -2.716 -10.192 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.868 -3.264 -11.039 1.00 0.00 C ATOM 1307 C ASP A 80 -10.289 -4.286 -12.025 1.00 0.00 C ATOM 1308 O ASP A 80 -9.212 -4.092 -12.553 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.526 -2.120 -11.814 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.814 -2.618 -12.472 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -12.719 -3.262 -13.502 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.875 -2.346 -11.933 1.00 0.00 O ATOM 0 H ASP A 80 -9.646 -1.705 -10.250 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.611 -3.752 -10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.747 -1.291 -11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.842 -1.741 -12.573 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.019 -5.353 -12.235 1.00 0.00 N ATOM 1318 CA PRO A 81 -10.602 -6.434 -13.144 1.00 0.00 C ATOM 1319 C PRO A 81 -10.859 -6.052 -14.607 1.00 0.00 C ATOM 1320 O PRO A 81 -10.073 -6.357 -15.482 1.00 0.00 O ATOM 1321 CB PRO A 81 -11.482 -7.615 -12.724 1.00 0.00 C ATOM 1322 CG PRO A 81 -12.717 -7.011 -12.011 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.328 -5.582 -11.588 1.00 0.00 C ATOM 0 HA PRO A 81 -9.536 -6.654 -13.079 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.783 -8.202 -13.592 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.939 -8.286 -12.058 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.580 -6.996 -12.677 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.994 -7.610 -11.143 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.068 -4.854 -11.919 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.257 -5.494 -10.504 1.00 0.00 H new ATOM 1331 N ALA A 82 -11.951 -5.393 -14.883 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.247 -5.005 -16.292 1.00 0.00 C ATOM 1333 C ALA A 82 -11.210 -3.990 -16.777 1.00 0.00 C ATOM 1334 O ALA A 82 -10.790 -4.018 -17.916 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.645 -4.388 -16.374 1.00 0.00 C ATOM 0 H ALA A 82 -12.649 -5.107 -14.197 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.206 -5.892 -16.924 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.858 -4.106 -17.405 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.384 -5.115 -16.037 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.690 -3.503 -15.739 1.00 0.00 H new ATOM 1341 N SER A 83 -10.784 -3.102 -15.923 1.00 0.00 N ATOM 1342 CA SER A 83 -9.765 -2.103 -16.344 1.00 0.00 C ATOM 1343 C SER A 83 -8.375 -2.692 -16.120 1.00 0.00 C ATOM 1344 O SER A 83 -7.374 -2.090 -16.452 1.00 0.00 O ATOM 1345 CB SER A 83 -9.917 -0.831 -15.503 1.00 0.00 C ATOM 1346 OG SER A 83 -11.187 -0.238 -15.759 1.00 0.00 O ATOM 0 H SER A 83 -11.096 -3.025 -14.955 1.00 0.00 H new ATOM 0 HA SER A 83 -9.901 -1.858 -17.397 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.823 -1.070 -14.444 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.120 -0.127 -15.743 1.00 0.00 H new ATOM 0 HG SER A 83 -11.284 0.574 -15.219 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.306 -3.868 -15.555 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.982 -4.487 -15.289 1.00 0.00 C ATOM 1354 C GLU A 84 -6.193 -4.607 -16.587 1.00 0.00 C ATOM 1355 O GLU A 84 -5.058 -4.188 -16.663 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.181 -5.877 -14.680 1.00 0.00 C ATOM 1357 CG GLU A 84 -5.818 -6.523 -14.421 1.00 0.00 C ATOM 1358 CD GLU A 84 -5.569 -7.627 -15.451 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -6.264 -7.641 -16.453 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -4.687 -8.437 -15.220 1.00 0.00 O ATOM 0 H GLU A 84 -9.111 -4.424 -15.267 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.427 -3.859 -14.592 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.741 -5.800 -13.748 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.768 -6.500 -15.355 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.031 -5.771 -14.481 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.786 -6.938 -13.414 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.772 -5.161 -17.611 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.021 -5.280 -18.890 1.00 0.00 C ATOM 1369 C ALA A 85 -5.635 -3.880 -19.371 1.00 0.00 C ATOM 1370 O ALA A 85 -4.760 -3.715 -20.198 1.00 0.00 O ATOM 1371 CB ALA A 85 -6.894 -5.961 -19.944 1.00 0.00 C ATOM 0 H ALA A 85 -7.722 -5.533 -17.621 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.124 -5.879 -18.733 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.338 -6.045 -20.878 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.173 -6.956 -19.597 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.794 -5.368 -20.109 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.279 -2.870 -18.853 1.00 0.00 N ATOM 1378 CA LYS A 86 -5.945 -1.481 -19.275 1.00 0.00 C ATOM 1379 C LYS A 86 -4.893 -0.904 -18.329 1.00 0.00 C ATOM 1380 O LYS A 86 -3.828 -0.495 -18.750 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.203 -0.612 -19.234 1.00 0.00 C ATOM 1382 CG LYS A 86 -6.850 0.819 -19.649 1.00 0.00 C ATOM 1383 CD LYS A 86 -6.115 0.799 -20.991 1.00 0.00 C ATOM 1384 CE LYS A 86 -4.621 1.039 -20.761 1.00 0.00 C ATOM 1385 NZ LYS A 86 -4.116 2.021 -21.762 1.00 0.00 N ATOM 0 H LYS A 86 -7.021 -2.947 -18.157 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.553 -1.496 -20.292 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.961 -1.019 -19.903 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.628 -0.616 -18.230 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.756 1.419 -19.728 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.225 1.285 -18.888 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.268 -0.160 -21.487 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.520 1.567 -21.650 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.453 1.414 -19.751 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.073 0.101 -20.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.709 1.512 -22.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.902 2.619 -22.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.385 2.618 -21.325 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.172 -0.862 -17.053 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.168 -0.300 -16.105 1.00 0.00 C ATOM 1401 C LEU A 87 -2.831 -0.996 -16.304 1.00 0.00 C ATOM 1402 O LEU A 87 -1.819 -0.373 -16.556 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.607 -0.497 -14.647 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.519 -1.718 -14.493 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.980 -2.608 -13.373 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.932 -1.253 -14.123 1.00 0.00 C ATOM 0 H LEU A 87 -6.041 -1.188 -16.631 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.079 0.767 -16.308 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.727 -0.617 -14.015 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.130 0.394 -14.300 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.547 -2.274 -15.430 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.625 -3.479 -13.258 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.970 -2.934 -13.622 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.960 -2.046 -12.439 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.583 -2.120 -14.013 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.899 -0.702 -13.183 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.320 -0.606 -14.910 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.826 -2.280 -16.177 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.572 -3.048 -16.339 1.00 0.00 C ATOM 1420 C VAL A 88 -0.750 -2.504 -17.507 1.00 0.00 C ATOM 1421 O VAL A 88 0.465 -2.534 -17.486 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.931 -4.479 -16.645 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.652 -5.106 -15.450 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -2.841 -4.497 -17.873 1.00 0.00 C ATOM 0 H VAL A 88 -3.650 -2.843 -15.964 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.987 -2.968 -15.423 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.027 -5.055 -16.842 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.907 -6.140 -15.681 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.000 -5.079 -14.577 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.563 -4.546 -15.240 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.112 -5.526 -18.110 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.744 -3.923 -17.665 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.317 -4.055 -18.721 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.392 -2.015 -18.529 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.626 -1.488 -19.692 1.00 0.00 C ATOM 1436 C GLU A 89 0.371 -0.448 -19.185 1.00 0.00 C ATOM 1437 O GLU A 89 1.481 -0.348 -19.670 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.583 -0.840 -20.695 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.358 -1.453 -22.079 1.00 0.00 C ATOM 1440 CD GLU A 89 -1.537 -0.376 -23.150 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -2.507 0.360 -23.066 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -0.701 -0.305 -24.036 1.00 0.00 O ATOM 0 H GLU A 89 -2.407 -1.957 -18.610 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.098 -2.302 -20.188 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.615 -0.993 -20.381 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.417 0.237 -20.730 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.357 -1.879 -22.141 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.062 -2.268 -22.246 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.007 0.305 -18.192 1.00 0.00 N ATOM 1450 CA GLN A 90 0.929 1.315 -17.629 1.00 0.00 C ATOM 1451 C GLN A 90 1.836 0.621 -16.610 1.00 0.00 C ATOM 1452 O GLN A 90 2.855 1.146 -16.207 1.00 0.00 O ATOM 1453 CB GLN A 90 0.135 2.426 -16.936 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.457 3.365 -17.990 1.00 0.00 C ATOM 1455 CD GLN A 90 0.471 4.566 -18.188 1.00 0.00 C ATOM 1456 OE1 GLN A 90 0.792 4.922 -19.304 1.00 0.00 O ATOM 1457 NE2 GLN A 90 0.920 5.207 -17.144 1.00 0.00 N ATOM 0 H GLN A 90 -0.923 0.265 -17.746 1.00 0.00 H new ATOM 0 HA GLN A 90 1.528 1.754 -18.427 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.661 1.994 -16.330 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.783 2.984 -16.260 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.587 2.834 -18.933 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.444 3.704 -17.676 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.650 4.908 -16.207 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.541 6.007 -17.265 1.00 0.00 H new ATOM 1466 N ALA A 91 1.467 -0.562 -16.194 1.00 0.00 N ATOM 1467 CA ALA A 91 2.293 -1.307 -15.205 1.00 0.00 C ATOM 1468 C ALA A 91 3.497 -1.941 -15.906 1.00 0.00 C ATOM 1469 O ALA A 91 4.531 -2.159 -15.306 1.00 0.00 O ATOM 1470 CB ALA A 91 1.450 -2.403 -14.553 1.00 0.00 C ATOM 0 H ALA A 91 0.623 -1.045 -16.500 1.00 0.00 H new ATOM 0 HA ALA A 91 2.644 -0.614 -14.440 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.057 -2.947 -13.829 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.597 -1.952 -14.045 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.094 -3.092 -15.319 1.00 0.00 H new ATOM 1476 N PHE A 92 3.373 -2.243 -17.171 1.00 0.00 N ATOM 1477 CA PHE A 92 4.513 -2.868 -17.904 1.00 0.00 C ATOM 1478 C PHE A 92 5.393 -1.781 -18.525 1.00 0.00 C ATOM 1479 O PHE A 92 5.868 -1.918 -19.636 1.00 0.00 O ATOM 1480 CB PHE A 92 3.976 -3.772 -19.017 1.00 0.00 C ATOM 1481 CG PHE A 92 3.252 -4.952 -18.415 1.00 0.00 C ATOM 1482 CD1 PHE A 92 3.977 -5.976 -17.793 1.00 0.00 C ATOM 1483 CD2 PHE A 92 1.856 -5.025 -18.486 1.00 0.00 C ATOM 1484 CE1 PHE A 92 3.304 -7.072 -17.240 1.00 0.00 C ATOM 1485 CE2 PHE A 92 1.184 -6.121 -17.934 1.00 0.00 C ATOM 1486 CZ PHE A 92 1.907 -7.145 -17.310 1.00 0.00 C ATOM 0 H PHE A 92 2.533 -2.084 -17.728 1.00 0.00 H new ATOM 0 HA PHE A 92 5.103 -3.457 -17.202 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.300 -3.209 -19.661 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.797 -4.119 -19.644 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.054 -5.920 -17.740 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.298 -4.235 -18.967 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.862 -7.862 -16.759 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.107 -6.177 -17.989 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.388 -7.990 -16.883 1.00 0.00 H new ATOM 1496 N ARG A 93 5.619 -0.705 -17.825 1.00 0.00 N ATOM 1497 CA ARG A 93 6.474 0.378 -18.388 1.00 0.00 C ATOM 1498 C ARG A 93 7.616 0.684 -17.415 1.00 0.00 C ATOM 1499 O ARG A 93 7.403 0.864 -16.232 1.00 0.00 O ATOM 1500 CB ARG A 93 5.633 1.637 -18.603 1.00 0.00 C ATOM 1501 CG ARG A 93 6.302 2.522 -19.656 1.00 0.00 C ATOM 1502 CD ARG A 93 5.416 2.598 -20.899 1.00 0.00 C ATOM 1503 NE ARG A 93 5.886 3.706 -21.777 1.00 0.00 N ATOM 1504 CZ ARG A 93 5.684 3.651 -23.064 1.00 0.00 C ATOM 1505 NH1 ARG A 93 4.485 3.430 -23.528 1.00 0.00 N ATOM 1506 NH2 ARG A 93 6.681 3.817 -23.889 1.00 0.00 N ATOM 0 H ARG A 93 5.250 -0.528 -16.890 1.00 0.00 H new ATOM 0 HA ARG A 93 6.887 0.054 -19.343 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.628 1.365 -18.926 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.530 2.183 -17.665 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.468 3.521 -19.254 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.280 2.117 -19.918 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.448 1.652 -21.440 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.378 2.764 -20.609 1.00 0.00 H new ATOM 0 HE ARG A 93 6.367 4.509 -21.371 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.705 3.300 -22.884 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.328 3.387 -24.535 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.619 3.990 -23.527 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.523 3.774 -24.896 1.00 0.00 H new ATOM 1520 N LYS A 94 8.826 0.742 -17.902 1.00 0.00 N ATOM 1521 CA LYS A 94 9.980 1.033 -17.003 1.00 0.00 C ATOM 1522 C LYS A 94 10.617 2.367 -17.402 1.00 0.00 C ATOM 1523 O LYS A 94 10.522 2.797 -18.535 1.00 0.00 O ATOM 1524 CB LYS A 94 11.014 -0.088 -17.131 1.00 0.00 C ATOM 1525 CG LYS A 94 12.065 0.053 -16.027 1.00 0.00 C ATOM 1526 CD LYS A 94 12.316 -1.313 -15.386 1.00 0.00 C ATOM 1527 CE LYS A 94 13.770 -1.401 -14.912 1.00 0.00 C ATOM 1528 NZ LYS A 94 13.832 -2.175 -13.640 1.00 0.00 N ATOM 0 H LYS A 94 9.065 0.601 -18.883 1.00 0.00 H new ATOM 0 HA LYS A 94 9.634 1.094 -15.971 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.524 -1.059 -17.058 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.492 -0.045 -18.110 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.992 0.448 -16.441 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.724 0.763 -15.274 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.639 -1.460 -14.544 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.109 -2.106 -16.104 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.383 -1.883 -15.673 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.176 -0.401 -14.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.819 -2.235 -13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.260 -1.698 -12.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.461 -3.133 -13.798 1.00 0.00 H new ATOM 1542 N ARG A 95 11.267 3.024 -16.479 1.00 0.00 N ATOM 1543 CA ARG A 95 11.910 4.329 -16.807 1.00 0.00 C ATOM 1544 C ARG A 95 13.275 4.076 -17.449 1.00 0.00 C ATOM 1545 O ARG A 95 14.190 3.592 -16.812 1.00 0.00 O ATOM 1546 CB ARG A 95 12.096 5.148 -15.527 1.00 0.00 C ATOM 1547 CG ARG A 95 10.757 5.282 -14.800 1.00 0.00 C ATOM 1548 CD ARG A 95 9.883 6.315 -15.516 1.00 0.00 C ATOM 1549 NE ARG A 95 10.519 7.660 -15.423 1.00 0.00 N ATOM 1550 CZ ARG A 95 9.777 8.734 -15.427 1.00 0.00 C ATOM 1551 NH1 ARG A 95 9.278 9.189 -14.310 1.00 0.00 N ATOM 1552 NH2 ARG A 95 9.535 9.355 -16.550 1.00 0.00 N ATOM 0 H ARG A 95 11.380 2.714 -15.514 1.00 0.00 H new ATOM 0 HA ARG A 95 11.275 4.880 -17.501 1.00 0.00 H new ATOM 0 HB2 ARG A 95 12.826 4.665 -14.878 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.489 6.135 -15.770 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.249 4.318 -14.772 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.922 5.585 -13.766 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.754 6.035 -16.561 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.890 6.340 -15.067 1.00 0.00 H new ATOM 0 HE ARG A 95 11.534 7.741 -15.356 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.468 8.705 -13.432 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.698 10.028 -14.315 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.926 9.001 -17.423 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.955 10.194 -16.554 1.00 0.00 H new ATOM 1566 N ARG A 96 13.421 4.400 -18.704 1.00 0.00 N ATOM 1567 CA ARG A 96 14.727 4.178 -19.384 1.00 0.00 C ATOM 1568 C ARG A 96 15.263 5.515 -19.902 1.00 0.00 C ATOM 1569 O ARG A 96 15.970 5.572 -20.889 1.00 0.00 O ATOM 1570 CB ARG A 96 14.534 3.216 -20.558 1.00 0.00 C ATOM 1571 CG ARG A 96 15.532 2.062 -20.445 1.00 0.00 C ATOM 1572 CD ARG A 96 14.772 0.735 -20.388 1.00 0.00 C ATOM 1573 NE ARG A 96 14.675 0.164 -21.761 1.00 0.00 N ATOM 1574 CZ ARG A 96 14.288 -1.071 -21.927 1.00 0.00 C ATOM 1575 NH1 ARG A 96 13.472 -1.620 -21.070 1.00 0.00 N ATOM 1576 NH2 ARG A 96 14.715 -1.756 -22.952 1.00 0.00 N ATOM 0 H ARG A 96 12.692 4.809 -19.288 1.00 0.00 H new ATOM 0 HA ARG A 96 15.438 3.749 -18.678 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.515 2.830 -20.561 1.00 0.00 H new ATOM 0 HB3 ARG A 96 14.678 3.743 -21.501 1.00 0.00 H new ATOM 0 HG2 ARG A 96 16.210 2.069 -21.298 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.144 2.182 -19.551 1.00 0.00 H new ATOM 0 HD2 ARG A 96 15.285 0.037 -19.727 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.775 0.891 -19.975 1.00 0.00 H new ATOM 0 HE ARG A 96 14.911 0.738 -22.570 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.136 -1.084 -20.270 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.170 -2.585 -21.200 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.351 -1.326 -23.623 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.413 -2.721 -23.082 1.00 0.00 H new ATOM 1590 N GLN A 97 14.932 6.592 -19.243 1.00 0.00 N ATOM 1591 CA GLN A 97 15.421 7.923 -19.696 1.00 0.00 C ATOM 1592 C GLN A 97 16.541 8.399 -18.769 1.00 0.00 C ATOM 1593 O GLN A 97 16.884 7.743 -17.806 1.00 0.00 O ATOM 1594 CB GLN A 97 14.269 8.929 -19.662 1.00 0.00 C ATOM 1595 CG GLN A 97 13.381 8.727 -20.892 1.00 0.00 C ATOM 1596 CD GLN A 97 12.922 10.088 -21.418 1.00 0.00 C ATOM 1597 OE1 GLN A 97 13.714 11.000 -21.553 1.00 0.00 O ATOM 1598 NE2 GLN A 97 11.666 10.265 -21.723 1.00 0.00 N ATOM 0 H GLN A 97 14.344 6.606 -18.410 1.00 0.00 H new ATOM 0 HA GLN A 97 15.802 7.842 -20.714 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.684 8.798 -18.752 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.660 9.946 -19.645 1.00 0.00 H new ATOM 0 HG2 GLN A 97 13.930 8.192 -21.667 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.517 8.115 -20.634 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.001 9.500 -21.610 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.349 11.168 -22.075 1.00 0.00 H new ATOM 1607 N ARG A 98 17.111 9.538 -19.051 1.00 0.00 N ATOM 1608 CA ARG A 98 18.207 10.057 -18.187 1.00 0.00 C ATOM 1609 C ARG A 98 17.773 11.384 -17.559 1.00 0.00 C ATOM 1610 O ARG A 98 17.552 12.363 -18.243 1.00 0.00 O ATOM 1611 CB ARG A 98 19.462 10.279 -19.033 1.00 0.00 C ATOM 1612 CG ARG A 98 20.685 10.368 -18.118 1.00 0.00 C ATOM 1613 CD ARG A 98 21.073 11.835 -17.926 1.00 0.00 C ATOM 1614 NE ARG A 98 21.776 12.327 -19.142 1.00 0.00 N ATOM 1615 CZ ARG A 98 21.572 13.544 -19.565 1.00 0.00 C ATOM 1616 NH1 ARG A 98 22.107 14.553 -18.934 1.00 0.00 N ATOM 1617 NH2 ARG A 98 20.833 13.753 -20.620 1.00 0.00 N ATOM 0 H ARG A 98 16.865 10.132 -19.843 1.00 0.00 H new ATOM 0 HA ARG A 98 18.424 9.335 -17.400 1.00 0.00 H new ATOM 0 HB2 ARG A 98 19.584 9.461 -19.743 1.00 0.00 H new ATOM 0 HB3 ARG A 98 19.363 11.195 -19.616 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.465 9.910 -17.154 1.00 0.00 H new ATOM 0 HG3 ARG A 98 21.518 9.814 -18.552 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.183 12.436 -17.740 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.717 11.940 -17.053 1.00 0.00 H new ATOM 0 HE ARG A 98 22.417 11.713 -19.644 1.00 0.00 H new ATOM 0 HH11 ARG A 98 22.685 14.390 -18.110 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.947 15.504 -19.265 1.00 0.00 H new ATOM 0 HH21 ARG A 98 20.415 12.965 -21.114 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.674 14.705 -20.951 1.00 0.00 H new ATOM 1631 N GLY A 99 17.648 11.424 -16.261 1.00 0.00 N ATOM 1632 CA GLY A 99 17.228 12.688 -15.592 1.00 0.00 C ATOM 1633 C GLY A 99 17.817 12.739 -14.180 1.00 0.00 C ATOM 1634 O GLY A 99 17.100 12.789 -13.200 1.00 0.00 O ATOM 0 H GLY A 99 17.818 10.637 -15.635 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.567 13.548 -16.170 1.00 0.00 H new ATOM 0 HA3 GLY A 99 16.140 12.743 -15.546 1.00 0.00 H new ATOM 1638 N VAL A 100 19.117 12.727 -14.069 1.00 0.00 N ATOM 1639 CA VAL A 100 19.750 12.775 -12.721 1.00 0.00 C ATOM 1640 C VAL A 100 21.103 13.486 -12.817 1.00 0.00 C ATOM 1641 O VAL A 100 21.791 13.399 -13.813 1.00 0.00 O ATOM 1642 CB VAL A 100 19.958 11.350 -12.205 1.00 0.00 C ATOM 1643 CG1 VAL A 100 18.600 10.703 -11.930 1.00 0.00 C ATOM 1644 CG2 VAL A 100 20.708 10.532 -13.258 1.00 0.00 C ATOM 0 H VAL A 100 19.768 12.686 -14.853 1.00 0.00 H new ATOM 0 HA VAL A 100 19.102 13.319 -12.034 1.00 0.00 H new ATOM 0 HB VAL A 100 20.540 11.379 -11.284 1.00 0.00 H new ATOM 0 HG11 VAL A 100 18.748 9.688 -11.562 1.00 0.00 H new ATOM 0 HG12 VAL A 100 18.064 11.286 -11.180 1.00 0.00 H new ATOM 0 HG13 VAL A 100 18.018 10.674 -12.851 1.00 0.00 H new ATOM 0 HG21 VAL A 100 20.857 9.516 -12.892 1.00 0.00 H new ATOM 0 HG22 VAL A 100 20.126 10.504 -14.179 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.676 10.992 -13.455 1.00 0.00 H new ATOM 1654 N SER A 101 21.487 14.189 -11.787 1.00 0.00 N ATOM 1655 CA SER A 101 22.794 14.903 -11.819 1.00 0.00 C ATOM 1656 C SER A 101 23.821 14.122 -10.996 1.00 0.00 C ATOM 1657 O SER A 101 24.870 14.677 -10.712 1.00 0.00 O ATOM 1658 CB SER A 101 22.626 16.303 -11.228 1.00 0.00 C ATOM 1659 OG SER A 101 23.128 17.263 -12.148 1.00 0.00 O ATOM 1660 OXT SER A 101 23.541 12.983 -10.663 1.00 0.00 O ATOM 0 H SER A 101 20.952 14.300 -10.925 1.00 0.00 H new ATOM 0 HA SER A 101 23.139 14.984 -12.850 1.00 0.00 H new ATOM 0 HB2 SER A 101 21.574 16.498 -11.018 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.159 16.377 -10.280 1.00 0.00 H new ATOM 0 HG SER A 101 23.021 18.162 -11.774 1.00 0.00 H new TER 1666 SER A 101