USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 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 NoAdj-H: A 9 GLU H : A 9 GLU N : A 110 RCY C1U :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1LA : A 110 RCY C1L : A 10 CYS CA :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CA : A 110 RCY C1C : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 9 GLU N :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZB : A 130 RCY C1Z : A 35 THR CA :(H bumps) USER MOD NoAdj-H: A 130 RCYH1ZA : A 130 RCY C1Z : A 35 THR CA :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Z : A 130 RCY C1Z : A 35 THR CA :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1LA : A 150 RCY C1L : A 49 GLY C :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 71 GLU OE2 :(H bumps) USER MOD NoAdj-H: A 150 RCY H1L : A 150 RCY C1L : A 49 GLY CA :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZB : A 160 RCY C1Z : A 168 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YB : A 168 RCY C1Y : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Y : A 168 RCY C1Y : A 160 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 187 RCY C1L :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCY H1L : A 173 RCY C1L : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 187 RCY O1G :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 187 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 187 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 187 RCY C1L :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 187 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 187 RCY N1R :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1LA : A 187 RCY C1L : A 176 RCY C1W :(H bumps) USER MOD NoAdj-H: A 187 RCY H1L : A 187 RCY C1L : A 176 RCY C1Y :(H bumps) USER MOD Set 1.1: A 32 GLN : amide:sc= -5.07! C(o=-9.6!,f=-13!) USER MOD Set 1.2: A 34 GLN : amide:sc= -4.52! C(o=-9.6!,f=-9.3!) USER MOD Single : A 1 MET CE :methyl 164:sc= 0 (180deg=-0.0047) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.345 (180deg=-0.488) USER MOD Single : A 2 ASN : amide:sc= -0.665 K(o=-0.66,f=-3.9!) USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0221) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.678! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00892 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc=-0.00883 (180deg=-0.227) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.277 (180deg=-0.993!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.361) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= -1.14 (180deg=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.159) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -62:sc= -1.22! USER MOD Single : A 74 ASN : amide:sc= -1.42 K(o=-1.4,f=-5.2!) USER MOD Single : A 75 HIS : no HD1:sc= -7.59! C(o=-7.6!,f=-9.2!) USER MOD Single : A 79 HIS : no HD1:sc= -5.58! C(o=-5.6!,f=-5.7!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 47.155 13.367 2.669 1.00 1.00 N ATOM 2 CA MET A 1 48.028 14.575 2.685 1.00 1.00 C ATOM 3 C MET A 1 49.163 14.370 3.690 1.00 1.00 C ATOM 4 O MET A 1 49.726 15.315 4.207 1.00 1.00 O ATOM 5 CB MET A 1 47.201 15.797 3.088 1.00 1.00 C ATOM 6 CG MET A 1 45.852 15.761 2.367 1.00 1.00 C ATOM 7 SD MET A 1 46.123 15.515 0.594 1.00 1.00 S ATOM 8 CE MET A 1 44.596 14.604 0.256 1.00 1.00 C ATOM 0 H1 MET A 1 46.403 13.492 1.962 1.00 1.00 H new ATOM 0 H2 MET A 1 47.724 12.531 2.426 1.00 1.00 H new ATOM 0 H3 MET A 1 46.728 13.234 3.608 1.00 1.00 H new ATOM 0 HA MET A 1 48.448 14.734 1.692 1.00 1.00 H new ATOM 0 HB2 MET A 1 47.048 15.806 4.167 1.00 1.00 H new ATOM 0 HB3 MET A 1 47.737 16.712 2.834 1.00 1.00 H new ATOM 0 HG2 MET A 1 45.235 14.956 2.767 1.00 1.00 H new ATOM 0 HG3 MET A 1 45.311 16.692 2.538 1.00 1.00 H new ATOM 0 HE1 MET A 1 44.410 14.592 -0.818 1.00 1.00 H new ATOM 0 HE2 MET A 1 44.695 13.581 0.619 1.00 1.00 H new ATOM 0 HE3 MET A 1 43.763 15.090 0.764 1.00 1.00 H new ATOM 17 N ASN A 2 49.505 13.142 3.972 1.00 1.00 N ATOM 18 CA ASN A 2 50.603 12.878 4.944 1.00 1.00 C ATOM 19 C ASN A 2 51.162 11.473 4.712 1.00 1.00 C ATOM 20 O ASN A 2 50.718 10.754 3.839 1.00 1.00 O ATOM 21 CB ASN A 2 50.058 12.981 6.370 1.00 1.00 C ATOM 22 CG ASN A 2 48.738 12.213 6.469 1.00 1.00 C ATOM 23 OD1 ASN A 2 48.483 11.318 5.689 1.00 1.00 O ATOM 24 ND2 ASN A 2 47.883 12.529 7.402 1.00 1.00 N ATOM 0 H ASN A 2 49.071 12.310 3.571 1.00 1.00 H new ATOM 0 HA ASN A 2 51.396 13.613 4.805 1.00 1.00 H new ATOM 0 HB2 ASN A 2 50.781 12.575 7.077 1.00 1.00 H new ATOM 0 HB3 ASN A 2 49.904 14.026 6.637 1.00 1.00 H new ATOM 0 HD21 ASN A 2 47.000 12.024 7.477 1.00 1.00 H new ATOM 0 HD22 ASN A 2 48.098 13.281 8.057 1.00 1.00 H new ATOM 31 N LEU A 3 52.135 11.075 5.487 1.00 1.00 N ATOM 32 CA LEU A 3 52.725 9.717 5.311 1.00 1.00 C ATOM 33 C LEU A 3 51.988 8.719 6.207 1.00 1.00 C ATOM 34 O LEU A 3 51.791 8.954 7.383 1.00 1.00 O ATOM 35 CB LEU A 3 54.209 9.753 5.693 1.00 1.00 C ATOM 36 CG LEU A 3 54.776 8.332 5.696 1.00 1.00 C ATOM 37 CD1 LEU A 3 56.167 8.336 5.058 1.00 1.00 C ATOM 38 CD2 LEU A 3 54.880 7.829 7.137 1.00 1.00 C ATOM 0 H LEU A 3 52.547 11.633 6.235 1.00 1.00 H new ATOM 0 HA LEU A 3 52.626 9.409 4.270 1.00 1.00 H new ATOM 0 HB2 LEU A 3 54.761 10.374 4.987 1.00 1.00 H new ATOM 0 HB3 LEU A 3 54.330 10.205 6.677 1.00 1.00 H new ATOM 0 HG LEU A 3 54.117 7.677 5.127 1.00 1.00 H new ATOM 0 HD11 LEU A 3 56.571 7.324 5.060 1.00 1.00 H new ATOM 0 HD12 LEU A 3 56.096 8.696 4.032 1.00 1.00 H new ATOM 0 HD13 LEU A 3 56.826 8.991 5.627 1.00 1.00 H new ATOM 0 HD21 LEU A 3 55.284 6.817 7.141 1.00 1.00 H new ATOM 0 HD22 LEU A 3 55.540 8.485 7.705 1.00 1.00 H new ATOM 0 HD23 LEU A 3 53.890 7.827 7.594 1.00 1.00 H new ATOM 50 N GLU A 4 51.580 7.606 5.661 1.00 1.00 N ATOM 51 CA GLU A 4 50.857 6.591 6.480 1.00 1.00 C ATOM 52 C GLU A 4 51.879 5.649 7.135 1.00 1.00 C ATOM 53 O GLU A 4 52.747 5.121 6.468 1.00 1.00 O ATOM 54 CB GLU A 4 49.929 5.780 5.572 1.00 1.00 C ATOM 55 CG GLU A 4 49.007 4.910 6.428 1.00 1.00 C ATOM 56 CD GLU A 4 47.985 5.796 7.142 1.00 1.00 C ATOM 57 OE1 GLU A 4 47.638 6.828 6.591 1.00 1.00 O ATOM 58 OE2 GLU A 4 47.567 5.429 8.228 1.00 1.00 O ATOM 0 H GLU A 4 51.716 7.355 4.682 1.00 1.00 H new ATOM 0 HA GLU A 4 50.271 7.089 7.252 1.00 1.00 H new ATOM 0 HB2 GLU A 4 49.338 6.450 4.948 1.00 1.00 H new ATOM 0 HB3 GLU A 4 50.516 5.154 4.900 1.00 1.00 H new ATOM 0 HG2 GLU A 4 48.495 4.179 5.802 1.00 1.00 H new ATOM 0 HG3 GLU A 4 49.592 4.351 7.158 1.00 1.00 H new ATOM 65 N PRO A 5 51.787 5.433 8.427 1.00 1.00 N ATOM 66 CA PRO A 5 52.729 4.536 9.153 1.00 1.00 C ATOM 67 C PRO A 5 53.054 3.268 8.351 1.00 1.00 C ATOM 68 O PRO A 5 52.289 2.852 7.504 1.00 1.00 O ATOM 69 CB PRO A 5 51.967 4.189 10.432 1.00 1.00 C ATOM 70 CG PRO A 5 51.093 5.373 10.693 1.00 1.00 C ATOM 71 CD PRO A 5 50.782 6.011 9.334 1.00 1.00 C ATOM 0 HA PRO A 5 53.694 5.009 9.335 1.00 1.00 H new ATOM 0 HB2 PRO A 5 51.376 3.282 10.306 1.00 1.00 H new ATOM 0 HB3 PRO A 5 52.650 4.011 11.263 1.00 1.00 H new ATOM 0 HG2 PRO A 5 50.174 5.071 11.196 1.00 1.00 H new ATOM 0 HG3 PRO A 5 51.595 6.086 11.347 1.00 1.00 H new ATOM 0 HD2 PRO A 5 49.769 5.778 9.007 1.00 1.00 H new ATOM 0 HD3 PRO A 5 50.861 7.097 9.376 1.00 1.00 H new ATOM 79 N PRO A 6 54.182 2.658 8.617 1.00 1.00 N ATOM 80 CA PRO A 6 54.611 1.416 7.908 1.00 1.00 C ATOM 81 C PRO A 6 53.790 0.194 8.335 1.00 1.00 C ATOM 82 O PRO A 6 53.514 -0.003 9.502 1.00 1.00 O ATOM 83 CB PRO A 6 56.077 1.252 8.321 1.00 1.00 C ATOM 84 CG PRO A 6 56.187 1.939 9.642 1.00 1.00 C ATOM 85 CD PRO A 6 55.169 3.082 9.623 1.00 1.00 C ATOM 0 HA PRO A 6 54.470 1.492 6.830 1.00 1.00 H new ATOM 0 HB2 PRO A 6 56.349 0.199 8.400 1.00 1.00 H new ATOM 0 HB3 PRO A 6 56.746 1.700 7.586 1.00 1.00 H new ATOM 0 HG2 PRO A 6 55.978 1.247 10.458 1.00 1.00 H new ATOM 0 HG3 PRO A 6 57.196 2.321 9.798 1.00 1.00 H new ATOM 0 HD2 PRO A 6 54.708 3.223 10.601 1.00 1.00 H new ATOM 0 HD3 PRO A 6 55.636 4.029 9.351 1.00 1.00 H new ATOM 93 N LYS A 7 53.400 -0.627 7.399 1.00 1.00 N ATOM 94 CA LYS A 7 52.600 -1.833 7.752 1.00 1.00 C ATOM 95 C LYS A 7 53.528 -2.918 8.300 1.00 1.00 C ATOM 96 O LYS A 7 54.515 -2.635 8.950 1.00 1.00 O ATOM 97 CB LYS A 7 51.888 -2.353 6.500 1.00 1.00 C ATOM 98 CG LYS A 7 52.923 -2.795 5.464 1.00 1.00 C ATOM 99 CD LYS A 7 52.474 -2.351 4.071 1.00 1.00 C ATOM 100 CE LYS A 7 51.210 -3.116 3.674 1.00 1.00 C ATOM 101 NZ LYS A 7 51.581 -4.482 3.209 1.00 1.00 N ATOM 0 H LYS A 7 53.601 -0.515 6.405 1.00 1.00 H new ATOM 0 HA LYS A 7 51.861 -1.572 8.510 1.00 1.00 H new ATOM 0 HB2 LYS A 7 51.239 -3.190 6.760 1.00 1.00 H new ATOM 0 HB3 LYS A 7 51.251 -1.574 6.082 1.00 1.00 H new ATOM 0 HG2 LYS A 7 53.896 -2.363 5.699 1.00 1.00 H new ATOM 0 HG3 LYS A 7 53.041 -3.878 5.491 1.00 1.00 H new ATOM 0 HD2 LYS A 7 52.280 -1.278 4.065 1.00 1.00 H new ATOM 0 HD3 LYS A 7 53.267 -2.536 3.346 1.00 1.00 H new ATOM 0 HE2 LYS A 7 50.530 -3.182 4.523 1.00 1.00 H new ATOM 0 HE3 LYS A 7 50.682 -2.582 2.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 50.952 -4.766 2.431 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 52.566 -4.480 2.875 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 51.484 -5.155 3.996 1.00 1.00 H new ATOM 115 N ALA A 8 53.220 -4.161 8.045 1.00 1.00 N ATOM 116 CA ALA A 8 54.084 -5.264 8.552 1.00 1.00 C ATOM 117 C ALA A 8 55.259 -5.475 7.594 1.00 1.00 C ATOM 118 O ALA A 8 55.120 -6.082 6.551 1.00 1.00 O ATOM 119 CB ALA A 8 53.265 -6.552 8.645 1.00 1.00 C ATOM 0 H ALA A 8 52.407 -4.460 7.507 1.00 1.00 H new ATOM 0 HA ALA A 8 54.463 -5.002 9.540 1.00 1.00 H new ATOM 0 HB1 ALA A 8 53.897 -7.359 9.016 1.00 1.00 H new ATOM 0 HB2 ALA A 8 52.429 -6.403 9.328 1.00 1.00 H new ATOM 0 HB3 ALA A 8 52.885 -6.814 7.658 1.00 1.00 H new ATOM 125 N GLU A 9 56.415 -4.979 7.940 1.00 1.00 N ATOM 126 CA GLU A 9 57.597 -5.152 7.049 1.00 1.00 C ATOM 127 C GLU A 9 58.133 -6.579 7.187 1.00 1.00 C ATOM 128 O GLU A 9 59.231 -6.796 7.659 1.00 1.00 O ATOM 129 CB GLU A 9 58.688 -4.156 7.450 1.00 1.00 C ATOM 130 CG GLU A 9 59.793 -4.154 6.392 1.00 1.00 C ATOM 131 CD GLU A 9 61.030 -3.445 6.946 1.00 1.00 C ATOM 132 OE1 GLU A 9 60.980 -3.012 8.086 1.00 1.00 O ATOM 133 OE2 GLU A 9 62.007 -3.348 6.222 1.00 1.00 O ATOM 0 HA GLU A 9 57.303 -4.972 6.015 1.00 1.00 H new ATOM 0 HB2 GLU A 9 58.264 -3.157 7.550 1.00 1.00 H new ATOM 0 HB3 GLU A 9 59.101 -4.425 8.422 1.00 1.00 H new ATOM 0 HG2 GLU A 9 60.043 -5.177 6.110 1.00 1.00 H new ATOM 0 HG3 GLU A 9 59.446 -3.651 5.490 1.00 1.00 H new ATOM 140 N CYS A 10 57.366 -7.553 6.778 1.00 1.00 N ATOM 141 CA CYS A 10 57.832 -8.965 6.886 1.00 1.00 C ATOM 142 C CYS A 10 58.636 -9.334 5.637 1.00 1.00 C ATOM 143 O CYS A 10 58.721 -8.572 4.694 1.00 1.00 O ATOM 144 CB CYS A 10 56.622 -9.893 7.006 1.00 1.00 C ATOM 145 SG CYS A 10 55.529 -9.293 8.318 1.00 1.00 S ATOM 0 H CYS A 10 56.437 -7.432 6.374 1.00 1.00 H new ATOM 0 HA CYS A 10 58.462 -9.073 7.769 1.00 1.00 H new ATOM 0 HB2 CYS A 10 56.084 -9.931 6.059 1.00 1.00 H new ATOM 0 HB3 CYS A 10 56.950 -10.909 7.227 1.00 1.00 H new ATOM 150 N ARG A 11 59.227 -10.497 5.624 1.00 1.00 N ATOM 151 CA ARG A 11 60.025 -10.915 4.438 1.00 1.00 C ATOM 152 C ARG A 11 59.080 -11.320 3.304 1.00 1.00 C ATOM 153 O ARG A 11 59.472 -11.409 2.158 1.00 1.00 O ATOM 154 CB ARG A 11 60.912 -12.105 4.815 1.00 1.00 C ATOM 155 CG ARG A 11 61.754 -12.520 3.607 1.00 1.00 C ATOM 156 CD ARG A 11 62.955 -13.341 4.078 1.00 1.00 C ATOM 157 NE ARG A 11 63.436 -14.204 2.963 1.00 1.00 N ATOM 158 CZ ARG A 11 62.899 -15.378 2.769 1.00 1.00 C ATOM 159 NH1 ARG A 11 61.941 -15.795 3.551 1.00 1.00 N ATOM 160 NH2 ARG A 11 63.320 -16.134 1.792 1.00 1.00 N ATOM 0 H ARG A 11 59.191 -11.176 6.384 1.00 1.00 H new ATOM 0 HA ARG A 11 60.651 -10.085 4.109 1.00 1.00 H new ATOM 0 HB2 ARG A 11 61.561 -11.838 5.649 1.00 1.00 H new ATOM 0 HB3 ARG A 11 60.295 -12.941 5.146 1.00 1.00 H new ATOM 0 HG2 ARG A 11 61.150 -13.105 2.913 1.00 1.00 H new ATOM 0 HG3 ARG A 11 62.094 -11.636 3.067 1.00 1.00 H new ATOM 0 HD2 ARG A 11 63.754 -12.678 4.410 1.00 1.00 H new ATOM 0 HD3 ARG A 11 62.675 -13.956 4.933 1.00 1.00 H new ATOM 0 HE ARG A 11 64.184 -13.878 2.352 1.00 1.00 H new ATOM 0 HH11 ARG A 11 61.612 -15.204 4.314 1.00 1.00 H new ATOM 0 HH12 ARG A 11 61.522 -16.712 3.399 1.00 1.00 H new ATOM 0 HH21 ARG A 11 64.068 -15.807 1.181 1.00 1.00 H new ATOM 0 HH22 ARG A 11 62.901 -17.051 1.640 1.00 1.00 H new ATOM 174 N SER A 12 57.836 -11.564 3.616 1.00 1.00 N ATOM 175 CA SER A 12 56.864 -11.961 2.557 1.00 1.00 C ATOM 176 C SER A 12 56.210 -10.708 1.970 1.00 1.00 C ATOM 177 O SER A 12 55.617 -10.745 0.910 1.00 1.00 O ATOM 178 CB SER A 12 55.787 -12.859 3.166 1.00 1.00 C ATOM 179 OG SER A 12 54.687 -12.945 2.271 1.00 1.00 O ATOM 0 H SER A 12 57.451 -11.506 4.559 1.00 1.00 H new ATOM 0 HA SER A 12 57.386 -12.502 1.768 1.00 1.00 H new ATOM 0 HB2 SER A 12 56.192 -13.852 3.359 1.00 1.00 H new ATOM 0 HB3 SER A 12 55.460 -12.456 4.125 1.00 1.00 H new ATOM 0 HG SER A 12 53.995 -13.521 2.658 1.00 1.00 H new ATOM 185 N ALA A 13 56.313 -9.599 2.650 1.00 1.00 N ATOM 186 CA ALA A 13 55.696 -8.346 2.129 1.00 1.00 C ATOM 187 C ALA A 13 56.112 -8.143 0.670 1.00 1.00 C ATOM 188 O ALA A 13 57.179 -8.552 0.257 1.00 1.00 O ATOM 189 CB ALA A 13 56.170 -7.157 2.966 1.00 1.00 C ATOM 0 H ALA A 13 56.797 -9.506 3.543 1.00 1.00 H new ATOM 0 HA ALA A 13 54.610 -8.422 2.190 1.00 1.00 H new ATOM 0 HB1 ALA A 13 55.719 -6.241 2.585 1.00 1.00 H new ATOM 0 HB2 ALA A 13 55.874 -7.302 4.005 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.256 -7.079 2.906 1.00 1.00 H new ATOM 195 N THR A 14 55.275 -7.515 -0.114 1.00 1.00 N ATOM 196 CA THR A 14 55.618 -7.285 -1.549 1.00 1.00 C ATOM 197 C THR A 14 56.129 -5.854 -1.733 1.00 1.00 C ATOM 198 O THR A 14 57.269 -5.549 -1.442 1.00 1.00 O ATOM 199 CB THR A 14 54.368 -7.495 -2.409 1.00 1.00 C ATOM 200 OG1 THR A 14 54.499 -6.762 -3.619 1.00 1.00 O ATOM 201 CG2 THR A 14 53.134 -7.009 -1.647 1.00 1.00 C ATOM 0 H THR A 14 54.368 -7.151 0.178 1.00 1.00 H new ATOM 0 HA THR A 14 56.394 -7.987 -1.854 1.00 1.00 H new ATOM 0 HB THR A 14 54.257 -8.555 -2.636 1.00 1.00 H new ATOM 0 HG1 THR A 14 53.701 -6.897 -4.171 1.00 1.00 H new ATOM 0 HG21 THR A 14 52.245 -7.159 -2.260 1.00 1.00 H new ATOM 0 HG22 THR A 14 53.034 -7.572 -0.719 1.00 1.00 H new ATOM 0 HG23 THR A 14 53.242 -5.949 -1.418 1.00 1.00 H new ATOM 209 N ARG A 15 55.295 -4.974 -2.219 1.00 1.00 N ATOM 210 CA ARG A 15 55.732 -3.563 -2.428 1.00 1.00 C ATOM 211 C ARG A 15 55.500 -2.758 -1.147 1.00 1.00 C ATOM 212 O ARG A 15 54.510 -2.933 -0.464 1.00 1.00 O ATOM 213 CB ARG A 15 54.924 -2.947 -3.576 1.00 1.00 C ATOM 214 CG ARG A 15 55.285 -1.468 -3.727 1.00 1.00 C ATOM 215 CD ARG A 15 54.159 -0.606 -3.151 1.00 1.00 C ATOM 216 NE ARG A 15 52.951 -0.726 -4.015 1.00 1.00 N ATOM 217 CZ ARG A 15 52.047 0.215 -4.006 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.201 1.261 -3.242 1.00 1.00 N ATOM 219 NH2 ARG A 15 50.988 0.110 -4.763 1.00 1.00 N ATOM 0 H ARG A 15 54.329 -5.171 -2.481 1.00 1.00 H new ATOM 0 HA ARG A 15 56.793 -3.543 -2.677 1.00 1.00 H new ATOM 0 HB2 ARG A 15 55.131 -3.478 -4.505 1.00 1.00 H new ATOM 0 HB3 ARG A 15 53.857 -3.052 -3.380 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.221 -1.256 -3.209 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.441 -1.226 -4.778 1.00 1.00 H new ATOM 0 HD2 ARG A 15 53.926 -0.925 -2.135 1.00 1.00 H new ATOM 0 HD3 ARG A 15 54.476 0.435 -3.094 1.00 1.00 H new ATOM 0 HE ARG A 15 52.831 -1.543 -4.613 1.00 1.00 H new ATOM 0 HH11 ARG A 15 53.028 1.344 -2.651 1.00 1.00 H new ATOM 0 HH12 ARG A 15 51.494 1.996 -3.235 1.00 1.00 H new ATOM 0 HH21 ARG A 15 50.868 -0.707 -5.361 1.00 1.00 H new ATOM 0 HH22 ARG A 15 50.281 0.845 -4.756 1.00 1.00 H new ATOM 233 N VAL A 16 56.409 -1.878 -0.815 1.00 1.00 N ATOM 234 CA VAL A 16 56.250 -1.060 0.424 1.00 1.00 C ATOM 235 C VAL A 16 56.608 0.400 0.124 1.00 1.00 C ATOM 236 O VAL A 16 55.971 1.049 -0.682 1.00 1.00 O ATOM 237 CB VAL A 16 57.175 -1.607 1.514 1.00 1.00 C ATOM 238 CG1 VAL A 16 56.587 -2.900 2.083 1.00 1.00 C ATOM 239 CG2 VAL A 16 58.553 -1.896 0.914 1.00 1.00 C ATOM 0 H VAL A 16 57.257 -1.690 -1.350 1.00 1.00 H new ATOM 0 HA VAL A 16 55.217 -1.112 0.767 1.00 1.00 H new ATOM 0 HB VAL A 16 57.271 -0.870 2.312 1.00 1.00 H new ATOM 0 HG11 VAL A 16 57.246 -3.289 2.859 1.00 1.00 H new ATOM 0 HG12 VAL A 16 55.605 -2.696 2.510 1.00 1.00 H new ATOM 0 HG13 VAL A 16 56.490 -3.637 1.286 1.00 1.00 H new ATOM 0 HG21 VAL A 16 59.213 -2.286 1.689 1.00 1.00 H new ATOM 0 HG22 VAL A 16 58.455 -2.633 0.117 1.00 1.00 H new ATOM 0 HG23 VAL A 16 58.973 -0.976 0.508 1.00 1.00 H new ATOM 249 N MET A 17 57.620 0.924 0.765 1.00 1.00 N ATOM 250 CA MET A 17 58.011 2.342 0.514 1.00 1.00 C ATOM 251 C MET A 17 56.756 3.222 0.502 1.00 1.00 C ATOM 252 O MET A 17 55.916 3.128 1.374 1.00 1.00 O ATOM 253 CB MET A 17 58.729 2.442 -0.835 1.00 1.00 C ATOM 254 CG MET A 17 60.108 1.788 -0.728 1.00 1.00 C ATOM 255 SD MET A 17 61.235 2.898 0.153 1.00 1.00 S ATOM 256 CE MET A 17 62.779 2.095 -0.344 1.00 1.00 C ATOM 0 H MET A 17 58.192 0.431 1.451 1.00 1.00 H new ATOM 0 HA MET A 17 58.681 2.683 1.303 1.00 1.00 H new ATOM 0 HB2 MET A 17 58.141 1.950 -1.610 1.00 1.00 H new ATOM 0 HB3 MET A 17 58.832 3.487 -1.128 1.00 1.00 H new ATOM 0 HG2 MET A 17 60.031 0.837 -0.201 1.00 1.00 H new ATOM 0 HG3 MET A 17 60.498 1.571 -1.723 1.00 1.00 H new ATOM 0 HE1 MET A 17 63.623 2.626 0.096 1.00 1.00 H new ATOM 0 HE2 MET A 17 62.780 1.062 0.003 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.865 2.113 -1.430 1.00 1.00 H new ATOM 266 N GLY A 18 56.620 4.074 -0.481 1.00 1.00 N ATOM 267 CA GLY A 18 55.419 4.958 -0.553 1.00 1.00 C ATOM 268 C GLY A 18 54.503 4.476 -1.679 1.00 1.00 C ATOM 269 O GLY A 18 53.598 3.694 -1.465 1.00 1.00 O ATOM 0 H GLY A 18 57.291 4.196 -1.239 1.00 1.00 H new ATOM 0 HA2 GLY A 18 54.885 4.943 0.397 1.00 1.00 H new ATOM 0 HA3 GLY A 18 55.723 5.989 -0.732 1.00 1.00 H new ATOM 273 N GLY A 19 54.736 4.933 -2.879 1.00 1.00 N ATOM 274 CA GLY A 19 53.885 4.499 -4.023 1.00 1.00 C ATOM 275 C GLY A 19 54.668 4.668 -5.329 1.00 1.00 C ATOM 276 O GLY A 19 55.276 3.734 -5.813 1.00 1.00 O ATOM 0 H GLY A 19 55.480 5.589 -3.117 1.00 1.00 H new ATOM 0 HA2 GLY A 19 53.588 3.458 -3.896 1.00 1.00 H new ATOM 0 HA3 GLY A 19 52.970 5.090 -4.055 1.00 1.00 H new ATOM 280 N PRO A 20 54.664 5.851 -5.895 1.00 1.00 N ATOM 281 CA PRO A 20 55.400 6.136 -7.163 1.00 1.00 C ATOM 282 C PRO A 20 56.850 5.634 -7.115 1.00 1.00 C ATOM 283 O PRO A 20 57.779 6.401 -6.959 1.00 1.00 O ATOM 284 CB PRO A 20 55.363 7.665 -7.273 1.00 1.00 C ATOM 285 CG PRO A 20 54.159 8.084 -6.496 1.00 1.00 C ATOM 286 CD PRO A 20 53.960 7.042 -5.392 1.00 1.00 C ATOM 0 HA PRO A 20 54.949 5.630 -8.016 1.00 1.00 H new ATOM 0 HB2 PRO A 20 56.270 8.111 -6.865 1.00 1.00 H new ATOM 0 HB3 PRO A 20 55.291 7.983 -8.313 1.00 1.00 H new ATOM 0 HG2 PRO A 20 54.301 9.077 -6.069 1.00 1.00 H new ATOM 0 HG3 PRO A 20 53.282 8.136 -7.141 1.00 1.00 H new ATOM 0 HD2 PRO A 20 54.377 7.381 -4.444 1.00 1.00 H new ATOM 0 HD3 PRO A 20 52.903 6.838 -5.221 1.00 1.00 H new ATOM 294 N CYS A 21 57.050 4.351 -7.245 1.00 1.00 N ATOM 295 CA CYS A 21 58.437 3.806 -7.204 1.00 1.00 C ATOM 296 C CYS A 21 59.042 3.854 -8.609 1.00 1.00 C ATOM 297 O CYS A 21 58.531 3.259 -9.537 1.00 1.00 O ATOM 298 CB CYS A 21 58.399 2.356 -6.706 1.00 1.00 C ATOM 299 SG CYS A 21 59.711 2.103 -5.486 1.00 1.00 S ATOM 0 H CYS A 21 56.314 3.657 -7.378 1.00 1.00 H new ATOM 0 HA CYS A 21 59.047 4.404 -6.527 1.00 1.00 H new ATOM 0 HB2 CYS A 21 57.428 2.138 -6.262 1.00 1.00 H new ATOM 0 HB3 CYS A 21 58.528 1.669 -7.543 1.00 1.00 H new ATOM 304 N THR A 22 60.127 4.560 -8.774 1.00 1.00 N ATOM 305 CA THR A 22 60.759 4.645 -10.120 1.00 1.00 C ATOM 306 C THR A 22 61.182 3.241 -10.570 1.00 1.00 C ATOM 307 O THR A 22 61.445 2.383 -9.751 1.00 1.00 O ATOM 308 CB THR A 22 61.993 5.549 -10.046 1.00 1.00 C ATOM 309 OG1 THR A 22 62.768 5.197 -8.909 1.00 1.00 O ATOM 310 CG2 THR A 22 61.552 7.009 -9.933 1.00 1.00 C ATOM 0 H THR A 22 60.602 5.080 -8.036 1.00 1.00 H new ATOM 0 HA THR A 22 60.047 5.059 -10.834 1.00 1.00 H new ATOM 0 HB THR A 22 62.592 5.422 -10.948 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.559 5.773 -8.861 1.00 1.00 H new ATOM 0 HG21 THR A 22 62.431 7.652 -9.880 1.00 1.00 H new ATOM 0 HG22 THR A 22 60.958 7.278 -10.806 1.00 1.00 H new ATOM 0 HG23 THR A 22 60.953 7.139 -9.032 1.00 1.00 H new ATOM 318 N PRO A 23 61.251 3.004 -11.859 1.00 1.00 N ATOM 319 CA PRO A 23 61.658 1.675 -12.405 1.00 1.00 C ATOM 320 C PRO A 23 62.994 1.198 -11.823 1.00 1.00 C ATOM 321 O PRO A 23 63.355 1.532 -10.713 1.00 1.00 O ATOM 322 CB PRO A 23 61.792 1.914 -13.914 1.00 1.00 C ATOM 323 CG PRO A 23 60.956 3.118 -14.201 1.00 1.00 C ATOM 324 CD PRO A 23 60.950 3.968 -12.929 1.00 1.00 C ATOM 0 HA PRO A 23 60.934 0.900 -12.153 1.00 1.00 H new ATOM 0 HB2 PRO A 23 62.832 2.082 -14.194 1.00 1.00 H new ATOM 0 HB3 PRO A 23 61.445 1.050 -14.481 1.00 1.00 H new ATOM 0 HG2 PRO A 23 61.365 3.681 -15.040 1.00 1.00 H new ATOM 0 HG3 PRO A 23 59.942 2.828 -14.476 1.00 1.00 H new ATOM 0 HD2 PRO A 23 61.697 4.761 -12.974 1.00 1.00 H new ATOM 0 HD3 PRO A 23 59.984 4.449 -12.774 1.00 1.00 H new ATOM 332 N ARG A 24 63.733 0.423 -12.570 1.00 1.00 N ATOM 333 CA ARG A 24 65.046 -0.071 -12.065 1.00 1.00 C ATOM 334 C ARG A 24 66.050 -0.108 -13.218 1.00 1.00 C ATOM 335 O ARG A 24 66.613 -1.138 -13.531 1.00 1.00 O ATOM 336 CB ARG A 24 64.879 -1.477 -11.486 1.00 1.00 C ATOM 337 CG ARG A 24 64.029 -2.324 -12.436 1.00 1.00 C ATOM 338 CD ARG A 24 64.080 -3.789 -11.998 1.00 1.00 C ATOM 339 NE ARG A 24 63.052 -4.566 -12.746 1.00 1.00 N ATOM 340 CZ ARG A 24 61.810 -4.559 -12.347 1.00 1.00 C ATOM 341 NH1 ARG A 24 61.468 -3.871 -11.292 1.00 1.00 N ATOM 342 NH2 ARG A 24 60.910 -5.240 -13.002 1.00 1.00 N ATOM 0 H ARG A 24 63.484 0.111 -13.509 1.00 1.00 H new ATOM 0 HA ARG A 24 65.410 0.598 -11.285 1.00 1.00 H new ATOM 0 HB2 ARG A 24 65.855 -1.941 -11.343 1.00 1.00 H new ATOM 0 HB3 ARG A 24 64.405 -1.424 -10.506 1.00 1.00 H new ATOM 0 HG2 ARG A 24 62.999 -1.968 -12.434 1.00 1.00 H new ATOM 0 HG3 ARG A 24 64.398 -2.226 -13.457 1.00 1.00 H new ATOM 0 HD2 ARG A 24 65.071 -4.202 -12.186 1.00 1.00 H new ATOM 0 HD3 ARG A 24 63.901 -3.866 -10.926 1.00 1.00 H new ATOM 0 HE ARG A 24 63.320 -5.104 -13.570 1.00 1.00 H new ATOM 0 HH11 ARG A 24 62.172 -3.339 -10.780 1.00 1.00 H new ATOM 0 HH12 ARG A 24 60.497 -3.865 -10.980 1.00 1.00 H new ATOM 0 HH21 ARG A 24 61.178 -5.778 -13.826 1.00 1.00 H new ATOM 0 HH22 ARG A 24 59.939 -5.234 -12.690 1.00 1.00 H new ATOM 356 N LYS A 25 66.285 1.011 -13.846 1.00 1.00 N ATOM 357 CA LYS A 25 67.256 1.048 -14.967 1.00 1.00 C ATOM 358 C LYS A 25 68.666 0.902 -14.385 1.00 1.00 C ATOM 359 O LYS A 25 68.828 0.715 -13.195 1.00 1.00 O ATOM 360 CB LYS A 25 67.100 2.388 -15.702 1.00 1.00 C ATOM 361 CG LYS A 25 68.088 2.461 -16.868 1.00 1.00 C ATOM 362 CD LYS A 25 69.289 3.320 -16.467 1.00 1.00 C ATOM 363 CE LYS A 25 70.512 2.902 -17.285 1.00 1.00 C ATOM 364 NZ LYS A 25 70.361 3.384 -18.687 1.00 1.00 N ATOM 0 H LYS A 25 65.842 1.904 -13.627 1.00 1.00 H new ATOM 0 HA LYS A 25 67.079 0.238 -15.675 1.00 1.00 H new ATOM 0 HB2 LYS A 25 66.080 2.493 -16.071 1.00 1.00 H new ATOM 0 HB3 LYS A 25 67.276 3.214 -15.012 1.00 1.00 H new ATOM 0 HG2 LYS A 25 68.419 1.459 -17.141 1.00 1.00 H new ATOM 0 HG3 LYS A 25 67.600 2.886 -17.745 1.00 1.00 H new ATOM 0 HD2 LYS A 25 69.068 4.374 -16.636 1.00 1.00 H new ATOM 0 HD3 LYS A 25 69.493 3.204 -15.403 1.00 1.00 H new ATOM 0 HE2 LYS A 25 71.418 3.316 -16.842 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.618 1.817 -17.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.193 3.100 -19.243 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 69.505 2.968 -19.107 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 70.280 4.421 -18.691 1.00 1.00 H new ATOM 378 N GLY A 26 69.683 0.972 -15.201 1.00 1.00 N ATOM 379 CA GLY A 26 71.076 0.828 -14.681 1.00 1.00 C ATOM 380 C GLY A 26 71.224 1.582 -13.355 1.00 1.00 C ATOM 381 O GLY A 26 70.369 2.353 -12.967 1.00 1.00 O ATOM 0 H GLY A 26 69.610 1.123 -16.207 1.00 1.00 H new ATOM 0 HA2 GLY A 26 71.311 -0.226 -14.537 1.00 1.00 H new ATOM 0 HA3 GLY A 26 71.787 1.216 -15.410 1.00 1.00 H new ATOM 385 N PRO A 27 72.310 1.353 -12.666 1.00 1.00 N ATOM 386 CA PRO A 27 72.598 1.998 -11.359 1.00 1.00 C ATOM 387 C PRO A 27 72.060 3.435 -11.277 1.00 1.00 C ATOM 388 O PRO A 27 71.844 4.080 -12.284 1.00 1.00 O ATOM 389 CB PRO A 27 74.124 1.980 -11.308 1.00 1.00 C ATOM 390 CG PRO A 27 74.522 0.751 -12.061 1.00 1.00 C ATOM 391 CD PRO A 27 73.401 0.448 -13.062 1.00 1.00 C ATOM 0 HA PRO A 27 72.119 1.484 -10.526 1.00 1.00 H new ATOM 0 HB2 PRO A 27 74.545 2.876 -11.764 1.00 1.00 H new ATOM 0 HB3 PRO A 27 74.484 1.947 -10.280 1.00 1.00 H new ATOM 0 HG2 PRO A 27 75.468 0.907 -12.579 1.00 1.00 H new ATOM 0 HG3 PRO A 27 74.666 -0.088 -11.380 1.00 1.00 H new ATOM 0 HD2 PRO A 27 73.721 0.635 -14.087 1.00 1.00 H new ATOM 0 HD3 PRO A 27 73.092 -0.596 -13.010 1.00 1.00 H new ATOM 399 N PRO A 28 71.847 3.930 -10.082 1.00 1.00 N ATOM 400 CA PRO A 28 71.328 5.307 -9.856 1.00 1.00 C ATOM 401 C PRO A 28 71.896 6.326 -10.850 1.00 1.00 C ATOM 402 O PRO A 28 72.857 6.064 -11.545 1.00 1.00 O ATOM 403 CB PRO A 28 71.791 5.621 -8.435 1.00 1.00 C ATOM 404 CG PRO A 28 71.818 4.299 -7.739 1.00 1.00 C ATOM 405 CD PRO A 28 72.082 3.231 -8.807 1.00 1.00 C ATOM 0 HA PRO A 28 70.248 5.364 -9.993 1.00 1.00 H new ATOM 0 HB2 PRO A 28 72.776 6.088 -8.434 1.00 1.00 H new ATOM 0 HB3 PRO A 28 71.109 6.314 -7.941 1.00 1.00 H new ATOM 0 HG2 PRO A 28 72.597 4.281 -6.976 1.00 1.00 H new ATOM 0 HG3 PRO A 28 70.871 4.111 -7.233 1.00 1.00 H new ATOM 0 HD2 PRO A 28 73.101 2.848 -8.744 1.00 1.00 H new ATOM 0 HD3 PRO A 28 71.413 2.378 -8.691 1.00 1.00 H new ATOM 413 N LYS A 29 71.298 7.484 -10.923 1.00 1.00 N ATOM 414 CA LYS A 29 71.784 8.530 -11.869 1.00 1.00 C ATOM 415 C LYS A 29 73.313 8.618 -11.816 1.00 1.00 C ATOM 416 O LYS A 29 73.951 8.038 -10.960 1.00 1.00 O ATOM 417 CB LYS A 29 71.178 9.882 -11.479 1.00 1.00 C ATOM 418 CG LYS A 29 71.419 10.895 -12.600 1.00 1.00 C ATOM 419 CD LYS A 29 70.509 12.108 -12.397 1.00 1.00 C ATOM 420 CE LYS A 29 70.680 13.077 -13.568 1.00 1.00 C ATOM 421 NZ LYS A 29 70.036 12.505 -14.784 1.00 1.00 N ATOM 0 H LYS A 29 70.488 7.752 -10.364 1.00 1.00 H new ATOM 0 HA LYS A 29 71.481 8.268 -12.883 1.00 1.00 H new ATOM 0 HB2 LYS A 29 70.109 9.774 -11.297 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.625 10.238 -10.551 1.00 1.00 H new ATOM 0 HG2 LYS A 29 72.463 11.207 -12.604 1.00 1.00 H new ATOM 0 HG3 LYS A 29 71.220 10.436 -13.568 1.00 1.00 H new ATOM 0 HD2 LYS A 29 69.470 11.788 -12.325 1.00 1.00 H new ATOM 0 HD3 LYS A 29 70.754 12.607 -11.460 1.00 1.00 H new ATOM 0 HE2 LYS A 29 70.232 14.040 -13.325 1.00 1.00 H new ATOM 0 HE3 LYS A 29 71.739 13.256 -13.754 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 69.894 13.257 -15.488 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 70.648 11.766 -15.186 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 69.116 12.092 -14.528 1.00 1.00 H new ATOM 435 N CYS A 30 73.900 9.343 -12.732 1.00 1.00 N ATOM 436 CA CYS A 30 75.385 9.483 -12.761 1.00 1.00 C ATOM 437 C CYS A 30 76.002 8.234 -13.395 1.00 1.00 C ATOM 438 O CYS A 30 77.202 8.044 -13.375 1.00 1.00 O ATOM 439 CB CYS A 30 75.920 9.659 -11.335 1.00 1.00 C ATOM 440 SG CYS A 30 77.370 10.742 -11.365 1.00 1.00 S ATOM 0 H CYS A 30 73.408 9.849 -13.469 1.00 1.00 H new ATOM 0 HA CYS A 30 75.653 10.359 -13.351 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.147 10.085 -10.695 1.00 1.00 H new ATOM 0 HB3 CYS A 30 76.185 8.690 -10.912 1.00 1.00 H new ATOM 445 N LYS A 31 75.189 7.387 -13.967 1.00 1.00 N ATOM 446 CA LYS A 31 75.719 6.153 -14.615 1.00 1.00 C ATOM 447 C LYS A 31 76.759 5.488 -13.710 1.00 1.00 C ATOM 448 O LYS A 31 76.948 5.874 -12.574 1.00 1.00 O ATOM 449 CB LYS A 31 76.364 6.523 -15.951 1.00 1.00 C ATOM 450 CG LYS A 31 75.312 7.143 -16.872 1.00 1.00 C ATOM 451 CD LYS A 31 76.007 7.891 -18.012 1.00 1.00 C ATOM 452 CE LYS A 31 74.960 8.614 -18.862 1.00 1.00 C ATOM 453 NZ LYS A 31 73.702 7.817 -18.884 1.00 1.00 N ATOM 0 H LYS A 31 74.176 7.497 -14.013 1.00 1.00 H new ATOM 0 HA LYS A 31 74.899 5.455 -14.782 1.00 1.00 H new ATOM 0 HB2 LYS A 31 77.181 7.226 -15.790 1.00 1.00 H new ATOM 0 HB3 LYS A 31 76.794 5.636 -16.417 1.00 1.00 H new ATOM 0 HG2 LYS A 31 74.663 6.366 -17.276 1.00 1.00 H new ATOM 0 HG3 LYS A 31 74.677 7.827 -16.308 1.00 1.00 H new ATOM 0 HD2 LYS A 31 76.721 8.608 -17.608 1.00 1.00 H new ATOM 0 HD3 LYS A 31 76.572 7.192 -18.629 1.00 1.00 H new ATOM 0 HE2 LYS A 31 74.767 9.606 -18.454 1.00 1.00 H new ATOM 0 HE3 LYS A 31 75.333 8.753 -19.877 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 73.093 8.150 -19.659 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 73.930 6.813 -19.030 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 73.203 7.931 -17.979 1.00 1.00 H new ATOM 467 N GLN A 32 77.434 4.487 -14.210 1.00 1.00 N ATOM 468 CA GLN A 32 78.464 3.787 -13.389 1.00 1.00 C ATOM 469 C GLN A 32 79.856 4.292 -13.778 1.00 1.00 C ATOM 470 O GLN A 32 80.484 3.776 -14.681 1.00 1.00 O ATOM 471 CB GLN A 32 78.376 2.278 -13.645 1.00 1.00 C ATOM 472 CG GLN A 32 79.462 1.556 -12.846 1.00 1.00 C ATOM 473 CD GLN A 32 80.711 1.391 -13.714 1.00 1.00 C ATOM 474 OE1 GLN A 32 81.789 1.801 -13.332 1.00 1.00 O ATOM 475 NE2 GLN A 32 80.611 0.805 -14.875 1.00 1.00 N ATOM 0 H GLN A 32 77.315 4.123 -15.155 1.00 1.00 H new ATOM 0 HA GLN A 32 78.289 3.988 -12.332 1.00 1.00 H new ATOM 0 HB2 GLN A 32 77.392 1.907 -13.357 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.496 2.072 -14.709 1.00 1.00 H new ATOM 0 HG2 GLN A 32 79.704 2.122 -11.947 1.00 1.00 H new ATOM 0 HG3 GLN A 32 79.101 0.580 -12.521 1.00 1.00 H new ATOM 0 HE21 GLN A 32 79.706 0.461 -15.196 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.438 0.691 -15.462 1.00 1.00 H new ATOM 484 N ARG A 33 80.340 5.298 -13.099 1.00 1.00 N ATOM 485 CA ARG A 33 81.692 5.845 -13.416 1.00 1.00 C ATOM 486 C ARG A 33 82.512 5.924 -12.126 1.00 1.00 C ATOM 487 O ARG A 33 82.624 6.963 -11.508 1.00 1.00 O ATOM 488 CB ARG A 33 81.547 7.242 -14.025 1.00 1.00 C ATOM 489 CG ARG A 33 80.816 7.140 -15.365 1.00 1.00 C ATOM 490 CD ARG A 33 80.988 8.448 -16.141 1.00 1.00 C ATOM 491 NE ARG A 33 80.059 8.459 -17.306 1.00 1.00 N ATOM 492 CZ ARG A 33 80.299 9.240 -18.324 1.00 1.00 C ATOM 493 NH1 ARG A 33 81.352 10.011 -18.321 1.00 1.00 N ATOM 494 NH2 ARG A 33 79.485 9.251 -19.344 1.00 1.00 N ATOM 0 H ARG A 33 79.854 5.767 -12.334 1.00 1.00 H new ATOM 0 HA ARG A 33 82.197 5.195 -14.131 1.00 1.00 H new ATOM 0 HB2 ARG A 33 80.995 7.891 -13.346 1.00 1.00 H new ATOM 0 HB3 ARG A 33 82.529 7.692 -14.168 1.00 1.00 H new ATOM 0 HG2 ARG A 33 81.212 6.306 -15.945 1.00 1.00 H new ATOM 0 HG3 ARG A 33 79.757 6.939 -15.200 1.00 1.00 H new ATOM 0 HD2 ARG A 33 80.784 9.299 -15.491 1.00 1.00 H new ATOM 0 HD3 ARG A 33 82.018 8.548 -16.483 1.00 1.00 H new ATOM 0 HE ARG A 33 79.236 7.857 -17.308 1.00 1.00 H new ATOM 0 HH11 ARG A 33 81.987 10.003 -17.523 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.540 10.621 -19.117 1.00 1.00 H new ATOM 0 HH21 ARG A 33 78.661 8.649 -19.346 1.00 1.00 H new ATOM 0 HH22 ARG A 33 79.672 9.861 -20.140 1.00 1.00 H new ATOM 508 N GLN A 34 83.074 4.821 -11.714 1.00 1.00 N ATOM 509 CA GLN A 34 83.878 4.806 -10.458 1.00 1.00 C ATOM 510 C GLN A 34 85.000 5.844 -10.542 1.00 1.00 C ATOM 511 O GLN A 34 85.442 6.372 -9.540 1.00 1.00 O ATOM 512 CB GLN A 34 84.488 3.407 -10.244 1.00 1.00 C ATOM 513 CG GLN A 34 83.987 2.457 -11.334 1.00 1.00 C ATOM 514 CD GLN A 34 84.573 2.873 -12.684 1.00 1.00 C ATOM 515 OE1 GLN A 34 85.776 2.954 -12.838 1.00 1.00 O ATOM 516 NE2 GLN A 34 83.769 3.143 -13.676 1.00 1.00 N ATOM 0 H GLN A 34 83.011 3.924 -12.196 1.00 1.00 H new ATOM 0 HA GLN A 34 83.226 5.049 -9.619 1.00 1.00 H new ATOM 0 HB2 GLN A 34 85.576 3.466 -10.270 1.00 1.00 H new ATOM 0 HB3 GLN A 34 84.213 3.026 -9.261 1.00 1.00 H new ATOM 0 HG2 GLN A 34 84.277 1.433 -11.100 1.00 1.00 H new ATOM 0 HG3 GLN A 34 82.898 2.478 -11.377 1.00 1.00 H new ATOM 0 HE21 GLN A 34 82.759 3.075 -13.547 1.00 1.00 H new ATOM 0 HE22 GLN A 34 84.150 3.422 -14.580 1.00 1.00 H new ATOM 525 N THR A 35 85.476 6.135 -11.720 1.00 1.00 N ATOM 526 CA THR A 35 86.579 7.130 -11.841 1.00 1.00 C ATOM 527 C THR A 35 87.810 6.577 -11.116 1.00 1.00 C ATOM 528 O THR A 35 88.813 7.247 -10.973 1.00 1.00 O ATOM 529 CB THR A 35 86.139 8.453 -11.196 1.00 1.00 C ATOM 530 OG1 THR A 35 84.730 8.591 -11.316 1.00 1.00 O ATOM 531 CG2 THR A 35 86.830 9.621 -11.901 1.00 1.00 C ATOM 0 H THR A 35 85.152 5.731 -12.599 1.00 1.00 H new ATOM 0 HA THR A 35 86.819 7.310 -12.889 1.00 1.00 H new ATOM 0 HB THR A 35 86.416 8.453 -10.142 1.00 1.00 H new ATOM 0 HG21 THR A 35 86.517 10.559 -11.443 1.00 1.00 H new ATOM 0 HG22 THR A 35 87.911 9.514 -11.808 1.00 1.00 H new ATOM 0 HG23 THR A 35 86.555 9.623 -12.956 1.00 1.00 H new ATOM 539 N ARG A 36 87.718 5.350 -10.658 1.00 1.00 N ATOM 540 CA ARG A 36 88.849 4.695 -9.925 1.00 1.00 C ATOM 541 C ARG A 36 89.718 5.738 -9.217 1.00 1.00 C ATOM 542 O ARG A 36 90.917 5.582 -9.098 1.00 1.00 O ATOM 543 CB ARG A 36 89.697 3.861 -10.900 1.00 1.00 C ATOM 544 CG ARG A 36 90.570 4.781 -11.755 1.00 1.00 C ATOM 545 CD ARG A 36 92.014 4.276 -11.738 1.00 1.00 C ATOM 546 NE ARG A 36 92.868 5.185 -12.553 1.00 1.00 N ATOM 547 CZ ARG A 36 94.168 5.086 -12.496 1.00 1.00 C ATOM 548 NH1 ARG A 36 94.720 4.190 -11.724 1.00 1.00 N ATOM 549 NH2 ARG A 36 94.916 5.882 -13.210 1.00 1.00 N ATOM 0 H ARG A 36 86.890 4.764 -10.764 1.00 1.00 H new ATOM 0 HA ARG A 36 88.431 4.034 -9.166 1.00 1.00 H new ATOM 0 HB2 ARG A 36 90.324 3.164 -10.344 1.00 1.00 H new ATOM 0 HB3 ARG A 36 89.048 3.264 -11.540 1.00 1.00 H new ATOM 0 HG2 ARG A 36 90.195 4.808 -12.778 1.00 1.00 H new ATOM 0 HG3 ARG A 36 90.526 5.801 -11.372 1.00 1.00 H new ATOM 0 HD2 ARG A 36 92.384 4.234 -10.713 1.00 1.00 H new ATOM 0 HD3 ARG A 36 92.061 3.262 -12.136 1.00 1.00 H new ATOM 0 HE ARG A 36 92.436 5.885 -13.156 1.00 1.00 H new ATOM 0 HH11 ARG A 36 94.135 3.568 -11.166 1.00 1.00 H new ATOM 0 HH12 ARG A 36 95.736 4.112 -11.679 1.00 1.00 H new ATOM 0 HH21 ARG A 36 94.485 6.582 -13.813 1.00 1.00 H new ATOM 0 HH22 ARG A 36 95.932 5.804 -13.165 1.00 1.00 H new ATOM 563 N GLN A 37 89.120 6.798 -8.741 1.00 1.00 N ATOM 564 CA GLN A 37 89.902 7.853 -8.033 1.00 1.00 C ATOM 565 C GLN A 37 89.555 7.816 -6.545 1.00 1.00 C ATOM 566 O GLN A 37 90.310 8.269 -5.708 1.00 1.00 O ATOM 567 CB GLN A 37 89.545 9.227 -8.605 1.00 1.00 C ATOM 568 CG GLN A 37 90.257 10.316 -7.799 1.00 1.00 C ATOM 569 CD GLN A 37 90.193 11.640 -8.563 1.00 1.00 C ATOM 570 OE1 GLN A 37 89.197 11.947 -9.187 1.00 1.00 O ATOM 571 NE2 GLN A 37 91.222 12.443 -8.539 1.00 1.00 N ATOM 0 H GLN A 37 88.119 6.979 -8.813 1.00 1.00 H new ATOM 0 HA GLN A 37 90.968 7.673 -8.169 1.00 1.00 H new ATOM 0 HB2 GLN A 37 89.839 9.284 -9.653 1.00 1.00 H new ATOM 0 HB3 GLN A 37 88.466 9.379 -8.568 1.00 1.00 H new ATOM 0 HG2 GLN A 37 89.788 10.425 -6.821 1.00 1.00 H new ATOM 0 HG3 GLN A 37 91.295 10.034 -7.625 1.00 1.00 H new ATOM 0 HE21 GLN A 37 92.058 12.185 -8.015 1.00 1.00 H new ATOM 0 HE22 GLN A 37 91.190 13.328 -9.044 1.00 1.00 H new ATOM 580 N CYS A 38 88.415 7.276 -6.211 1.00 1.00 N ATOM 581 CA CYS A 38 88.014 7.202 -4.778 1.00 1.00 C ATOM 582 C CYS A 38 88.813 6.095 -4.086 1.00 1.00 C ATOM 583 O CYS A 38 88.532 5.721 -2.964 1.00 1.00 O ATOM 584 CB CYS A 38 86.518 6.893 -4.686 1.00 1.00 C ATOM 585 SG CYS A 38 86.024 5.876 -6.099 1.00 1.00 S ATOM 0 H CYS A 38 87.743 6.882 -6.870 1.00 1.00 H new ATOM 0 HA CYS A 38 88.217 8.155 -4.289 1.00 1.00 H new ATOM 0 HB2 CYS A 38 86.300 6.371 -3.754 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.944 7.820 -4.673 1.00 1.00 H new ATOM 590 N LYS A 39 89.808 5.568 -4.749 1.00 1.00 N ATOM 591 CA LYS A 39 90.632 4.484 -4.137 1.00 1.00 C ATOM 592 C LYS A 39 91.911 5.089 -3.554 1.00 1.00 C ATOM 593 O LYS A 39 92.583 5.874 -4.194 1.00 1.00 O ATOM 594 CB LYS A 39 91.001 3.457 -5.213 1.00 1.00 C ATOM 595 CG LYS A 39 89.767 2.628 -5.577 1.00 1.00 C ATOM 596 CD LYS A 39 89.675 1.415 -4.650 1.00 1.00 C ATOM 597 CE LYS A 39 88.324 0.725 -4.844 1.00 1.00 C ATOM 598 NZ LYS A 39 88.325 -0.581 -4.125 1.00 1.00 N ATOM 0 H LYS A 39 90.087 5.842 -5.691 1.00 1.00 H new ATOM 0 HA LYS A 39 90.064 3.995 -3.345 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.384 3.965 -6.098 1.00 1.00 H new ATOM 0 HB3 LYS A 39 91.796 2.805 -4.850 1.00 1.00 H new ATOM 0 HG2 LYS A 39 88.867 3.237 -5.487 1.00 1.00 H new ATOM 0 HG3 LYS A 39 89.828 2.302 -6.615 1.00 1.00 H new ATOM 0 HD2 LYS A 39 90.485 0.718 -4.864 1.00 1.00 H new ATOM 0 HD3 LYS A 39 89.790 1.728 -3.612 1.00 1.00 H new ATOM 0 HE2 LYS A 39 87.522 1.359 -4.466 1.00 1.00 H new ATOM 0 HE3 LYS A 39 88.133 0.568 -5.906 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 87.406 -1.051 -4.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 89.081 -1.186 -4.505 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 88.489 -0.419 -3.111 1.00 1.00 H new ATOM 612 N SER A 40 92.256 4.733 -2.346 1.00 1.00 N ATOM 613 CA SER A 40 93.492 5.294 -1.733 1.00 1.00 C ATOM 614 C SER A 40 93.719 4.667 -0.355 1.00 1.00 C ATOM 615 O SER A 40 94.841 4.486 0.075 1.00 1.00 O ATOM 616 CB SER A 40 93.342 6.809 -1.584 1.00 1.00 C ATOM 617 OG SER A 40 94.130 7.253 -0.488 1.00 1.00 O ATOM 0 H SER A 40 91.737 4.080 -1.759 1.00 1.00 H new ATOM 0 HA SER A 40 94.345 5.071 -2.374 1.00 1.00 H new ATOM 0 HB2 SER A 40 93.657 7.309 -2.500 1.00 1.00 H new ATOM 0 HB3 SER A 40 92.296 7.068 -1.423 1.00 1.00 H new ATOM 0 HG SER A 40 94.037 8.224 -0.391 1.00 1.00 H new ATOM 623 N LYS A 41 92.665 4.340 0.345 1.00 1.00 N ATOM 624 CA LYS A 41 92.825 3.731 1.699 1.00 1.00 C ATOM 625 C LYS A 41 92.664 2.205 1.605 1.00 1.00 C ATOM 626 O LYS A 41 91.586 1.710 1.346 1.00 1.00 O ATOM 627 CB LYS A 41 91.752 4.295 2.637 1.00 1.00 C ATOM 628 CG LYS A 41 90.419 4.399 1.893 1.00 1.00 C ATOM 629 CD LYS A 41 89.266 4.248 2.886 1.00 1.00 C ATOM 630 CE LYS A 41 87.935 4.265 2.131 1.00 1.00 C ATOM 631 NZ LYS A 41 86.884 3.615 2.963 1.00 1.00 N ATOM 0 H LYS A 41 91.701 4.468 0.038 1.00 1.00 H new ATOM 0 HA LYS A 41 93.816 3.967 2.086 1.00 1.00 H new ATOM 0 HB2 LYS A 41 91.643 3.651 3.510 1.00 1.00 H new ATOM 0 HB3 LYS A 41 92.054 5.277 3.001 1.00 1.00 H new ATOM 0 HG2 LYS A 41 90.350 5.360 1.383 1.00 1.00 H new ATOM 0 HG3 LYS A 41 90.357 3.626 1.127 1.00 1.00 H new ATOM 0 HD2 LYS A 41 89.370 3.315 3.440 1.00 1.00 H new ATOM 0 HD3 LYS A 41 89.292 5.057 3.616 1.00 1.00 H new ATOM 0 HE2 LYS A 41 87.648 5.291 1.900 1.00 1.00 H new ATOM 0 HE3 LYS A 41 88.037 3.741 1.181 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 85.951 3.990 2.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 86.902 2.587 2.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 87.065 3.813 3.968 1.00 1.00 H new ATOM 645 N PRO A 42 93.722 1.456 1.819 1.00 1.00 N ATOM 646 CA PRO A 42 93.669 -0.032 1.758 1.00 1.00 C ATOM 647 C PRO A 42 93.094 -0.635 3.047 1.00 1.00 C ATOM 648 O PRO A 42 93.063 0.007 4.078 1.00 1.00 O ATOM 649 CB PRO A 42 95.134 -0.432 1.579 1.00 1.00 C ATOM 650 CG PRO A 42 95.917 0.660 2.233 1.00 1.00 C ATOM 651 CD PRO A 42 95.075 1.939 2.137 1.00 1.00 C ATOM 0 HA PRO A 42 93.021 -0.392 0.959 1.00 1.00 H new ATOM 0 HB2 PRO A 42 95.339 -1.397 2.043 1.00 1.00 H new ATOM 0 HB3 PRO A 42 95.392 -0.525 0.524 1.00 1.00 H new ATOM 0 HG2 PRO A 42 96.126 0.414 3.274 1.00 1.00 H new ATOM 0 HG3 PRO A 42 96.879 0.794 1.738 1.00 1.00 H new ATOM 0 HD2 PRO A 42 95.089 2.497 3.073 1.00 1.00 H new ATOM 0 HD3 PRO A 42 95.452 2.607 1.363 1.00 1.00 H new ATOM 659 N PRO A 43 92.641 -1.860 2.986 1.00 1.00 N ATOM 660 CA PRO A 43 92.056 -2.561 4.169 1.00 1.00 C ATOM 661 C PRO A 43 93.077 -2.736 5.298 1.00 1.00 C ATOM 662 O PRO A 43 94.210 -3.111 5.072 1.00 1.00 O ATOM 663 CB PRO A 43 91.615 -3.925 3.617 1.00 1.00 C ATOM 664 CG PRO A 43 92.378 -4.111 2.347 1.00 1.00 C ATOM 665 CD PRO A 43 92.640 -2.713 1.788 1.00 1.00 C ATOM 0 HA PRO A 43 91.236 -1.994 4.610 1.00 1.00 H new ATOM 0 HB2 PRO A 43 91.833 -4.724 4.326 1.00 1.00 H new ATOM 0 HB3 PRO A 43 90.540 -3.945 3.435 1.00 1.00 H new ATOM 0 HG2 PRO A 43 93.315 -4.637 2.531 1.00 1.00 H new ATOM 0 HG3 PRO A 43 91.809 -4.712 1.637 1.00 1.00 H new ATOM 0 HD2 PRO A 43 93.592 -2.664 1.259 1.00 1.00 H new ATOM 0 HD3 PRO A 43 91.867 -2.412 1.081 1.00 1.00 H new ATOM 673 N LYS A 44 92.682 -2.466 6.514 1.00 1.00 N ATOM 674 CA LYS A 44 93.627 -2.616 7.657 1.00 1.00 C ATOM 675 C LYS A 44 92.837 -2.852 8.945 1.00 1.00 C ATOM 676 O LYS A 44 93.357 -2.726 10.035 1.00 1.00 O ATOM 677 CB LYS A 44 94.456 -1.338 7.806 1.00 1.00 C ATOM 678 CG LYS A 44 95.529 -1.289 6.716 1.00 1.00 C ATOM 679 CD LYS A 44 96.640 -0.325 7.136 1.00 1.00 C ATOM 680 CE LYS A 44 97.404 0.145 5.896 1.00 1.00 C ATOM 681 NZ LYS A 44 96.755 1.368 5.347 1.00 1.00 N ATOM 0 H LYS A 44 91.746 -2.148 6.764 1.00 1.00 H new ATOM 0 HA LYS A 44 94.287 -3.463 7.470 1.00 1.00 H new ATOM 0 HB2 LYS A 44 93.810 -0.463 7.733 1.00 1.00 H new ATOM 0 HB3 LYS A 44 94.923 -1.308 8.791 1.00 1.00 H new ATOM 0 HG2 LYS A 44 95.940 -2.285 6.551 1.00 1.00 H new ATOM 0 HG3 LYS A 44 95.089 -0.965 5.773 1.00 1.00 H new ATOM 0 HD2 LYS A 44 96.215 0.531 7.660 1.00 1.00 H new ATOM 0 HD3 LYS A 44 97.320 -0.818 7.830 1.00 1.00 H new ATOM 0 HE2 LYS A 44 98.442 0.356 6.153 1.00 1.00 H new ATOM 0 HE3 LYS A 44 97.416 -0.643 5.143 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 97.232 1.649 4.467 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 95.753 1.171 5.150 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 96.826 2.140 6.040 1.00 1.00 H new ATOM 695 N LYS A 45 91.584 -3.189 8.824 1.00 1.00 N ATOM 696 CA LYS A 45 90.746 -3.434 10.035 1.00 1.00 C ATOM 697 C LYS A 45 90.391 -2.094 10.688 1.00 1.00 C ATOM 698 O LYS A 45 90.934 -1.725 11.711 1.00 1.00 O ATOM 699 CB LYS A 45 91.519 -4.310 11.034 1.00 1.00 C ATOM 700 CG LYS A 45 90.531 -5.084 11.909 1.00 1.00 C ATOM 701 CD LYS A 45 90.163 -6.401 11.222 1.00 1.00 C ATOM 702 CE LYS A 45 89.152 -7.161 12.083 1.00 1.00 C ATOM 703 NZ LYS A 45 89.834 -7.696 13.295 1.00 1.00 N ATOM 0 H LYS A 45 91.100 -3.306 7.934 1.00 1.00 H new ATOM 0 HA LYS A 45 89.831 -3.949 9.744 1.00 1.00 H new ATOM 0 HB2 LYS A 45 92.167 -5.004 10.499 1.00 1.00 H new ATOM 0 HB3 LYS A 45 92.162 -3.688 11.657 1.00 1.00 H new ATOM 0 HG2 LYS A 45 90.972 -5.282 12.886 1.00 1.00 H new ATOM 0 HG3 LYS A 45 89.635 -4.487 12.079 1.00 1.00 H new ATOM 0 HD2 LYS A 45 89.742 -6.204 10.236 1.00 1.00 H new ATOM 0 HD3 LYS A 45 91.056 -7.007 11.071 1.00 1.00 H new ATOM 0 HE2 LYS A 45 88.336 -6.499 12.374 1.00 1.00 H new ATOM 0 HE3 LYS A 45 88.712 -7.977 11.510 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 89.216 -8.389 13.764 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 90.724 -8.158 13.017 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 90.039 -6.915 13.951 1.00 1.00 H new ATOM 717 N GLY A 46 89.482 -1.362 10.102 1.00 1.00 N ATOM 718 CA GLY A 46 89.091 -0.047 10.686 1.00 1.00 C ATOM 719 C GLY A 46 87.870 -0.230 11.589 1.00 1.00 C ATOM 720 O GLY A 46 87.947 -0.071 12.791 1.00 1.00 O ATOM 0 H GLY A 46 88.993 -1.618 9.244 1.00 1.00 H new ATOM 0 HA2 GLY A 46 89.920 0.369 11.258 1.00 1.00 H new ATOM 0 HA3 GLY A 46 88.865 0.663 9.890 1.00 1.00 H new ATOM 724 N VAL A 47 86.744 -0.562 11.019 1.00 1.00 N ATOM 725 CA VAL A 47 85.515 -0.755 11.841 1.00 1.00 C ATOM 726 C VAL A 47 85.180 0.547 12.573 1.00 1.00 C ATOM 727 O VAL A 47 84.208 0.630 13.297 1.00 1.00 O ATOM 728 CB VAL A 47 85.747 -1.873 12.862 1.00 1.00 C ATOM 729 CG1 VAL A 47 84.406 -2.311 13.454 1.00 1.00 C ATOM 730 CG2 VAL A 47 86.411 -3.065 12.169 1.00 1.00 C ATOM 0 H VAL A 47 86.622 -0.708 10.017 1.00 1.00 H new ATOM 0 HA VAL A 47 84.685 -1.029 11.190 1.00 1.00 H new ATOM 0 HB VAL A 47 86.394 -1.508 13.660 1.00 1.00 H new ATOM 0 HG11 VAL A 47 84.571 -3.107 14.180 1.00 1.00 H new ATOM 0 HG12 VAL A 47 83.931 -1.463 13.947 1.00 1.00 H new ATOM 0 HG13 VAL A 47 83.758 -2.676 12.657 1.00 1.00 H new ATOM 0 HG21 VAL A 47 86.577 -3.862 12.894 1.00 1.00 H new ATOM 0 HG22 VAL A 47 85.763 -3.429 11.372 1.00 1.00 H new ATOM 0 HG23 VAL A 47 87.367 -2.754 11.747 1.00 1.00 H new ATOM 740 N GLN A 48 85.976 1.566 12.390 1.00 1.00 N ATOM 741 CA GLN A 48 85.700 2.862 13.075 1.00 1.00 C ATOM 742 C GLN A 48 84.799 3.724 12.187 1.00 1.00 C ATOM 743 O GLN A 48 84.588 4.892 12.449 1.00 1.00 O ATOM 744 CB GLN A 48 87.021 3.596 13.336 1.00 1.00 C ATOM 745 CG GLN A 48 88.119 2.577 13.649 1.00 1.00 C ATOM 746 CD GLN A 48 89.247 3.263 14.421 1.00 1.00 C ATOM 747 OE1 GLN A 48 90.086 3.921 13.837 1.00 1.00 O ATOM 748 NE2 GLN A 48 89.305 3.137 15.718 1.00 1.00 N ATOM 0 H GLN A 48 86.805 1.557 11.796 1.00 1.00 H new ATOM 0 HA GLN A 48 85.200 2.673 14.025 1.00 1.00 H new ATOM 0 HB2 GLN A 48 87.298 4.189 12.464 1.00 1.00 H new ATOM 0 HB3 GLN A 48 86.905 4.289 14.169 1.00 1.00 H new ATOM 0 HG2 GLN A 48 87.710 1.755 14.236 1.00 1.00 H new ATOM 0 HG3 GLN A 48 88.505 2.147 12.725 1.00 1.00 H new ATOM 0 HE21 GLN A 48 88.601 2.585 16.209 1.00 1.00 H new ATOM 0 HE22 GLN A 48 90.054 3.590 16.241 1.00 1.00 H new ATOM 757 N GLY A 49 84.265 3.157 11.138 1.00 1.00 N ATOM 758 CA GLY A 49 83.377 3.942 10.231 1.00 1.00 C ATOM 759 C GLY A 49 84.188 4.461 9.042 1.00 1.00 C ATOM 760 O GLY A 49 84.032 5.589 8.619 1.00 1.00 O ATOM 0 H GLY A 49 84.405 2.183 10.870 1.00 1.00 H new ATOM 0 HA2 GLY A 49 82.556 3.317 9.879 1.00 1.00 H new ATOM 0 HA3 GLY A 49 82.933 4.777 10.773 1.00 1.00 H new ATOM 764 N CYS A 50 85.056 3.648 8.502 1.00 1.00 N ATOM 765 CA CYS A 50 85.879 4.096 7.343 1.00 1.00 C ATOM 766 C CYS A 50 86.796 5.239 7.782 1.00 1.00 C ATOM 767 O CYS A 50 87.994 5.077 7.900 1.00 1.00 O ATOM 768 CB CYS A 50 84.960 4.580 6.216 1.00 1.00 C ATOM 769 SG CYS A 50 83.479 3.541 6.157 1.00 1.00 S ATOM 0 H CYS A 50 85.230 2.693 8.814 1.00 1.00 H new ATOM 0 HA CYS A 50 86.483 3.263 6.983 1.00 1.00 H new ATOM 0 HB2 CYS A 50 84.681 5.621 6.381 1.00 1.00 H new ATOM 0 HB3 CYS A 50 85.485 4.539 5.261 1.00 1.00 H new ATOM 774 N GLY A 51 86.240 6.393 8.028 1.00 1.00 N ATOM 775 CA GLY A 51 87.075 7.548 8.463 1.00 1.00 C ATOM 776 C GLY A 51 86.163 8.682 8.931 1.00 1.00 C ATOM 777 O GLY A 51 86.476 9.847 8.781 1.00 1.00 O ATOM 0 H GLY A 51 85.242 6.586 7.946 1.00 1.00 H new ATOM 0 HA2 GLY A 51 87.742 7.246 9.270 1.00 1.00 H new ATOM 0 HA3 GLY A 51 87.704 7.888 7.640 1.00 1.00 H new ATOM 781 N ASP A 52 85.033 8.350 9.494 1.00 1.00 N ATOM 782 CA ASP A 52 84.095 9.404 9.971 1.00 1.00 C ATOM 783 C ASP A 52 83.637 10.252 8.782 1.00 1.00 C ATOM 784 O ASP A 52 83.402 11.438 8.908 1.00 1.00 O ATOM 785 CB ASP A 52 84.803 10.294 10.998 1.00 1.00 C ATOM 786 CG ASP A 52 83.760 11.022 11.848 1.00 1.00 C ATOM 787 OD1 ASP A 52 83.029 10.351 12.557 1.00 1.00 O ATOM 788 OD2 ASP A 52 83.710 12.239 11.775 1.00 1.00 O ATOM 0 H ASP A 52 84.719 7.391 9.644 1.00 1.00 H new ATOM 0 HA ASP A 52 83.228 8.937 10.438 1.00 1.00 H new ATOM 0 HB2 ASP A 52 85.449 9.690 11.635 1.00 1.00 H new ATOM 0 HB3 ASP A 52 85.442 11.016 10.490 1.00 1.00 H new ATOM 793 N ASP A 53 83.508 9.651 7.629 1.00 1.00 N ATOM 794 CA ASP A 53 83.065 10.416 6.425 1.00 1.00 C ATOM 795 C ASP A 53 81.600 10.091 6.125 1.00 1.00 C ATOM 796 O ASP A 53 81.271 8.999 5.704 1.00 1.00 O ATOM 797 CB ASP A 53 83.930 10.020 5.226 1.00 1.00 C ATOM 798 CG ASP A 53 83.735 11.035 4.098 1.00 1.00 C ATOM 799 OD1 ASP A 53 84.362 12.080 4.153 1.00 1.00 O ATOM 800 OD2 ASP A 53 82.962 10.750 3.198 1.00 1.00 O ATOM 0 H ASP A 53 83.691 8.660 7.468 1.00 1.00 H new ATOM 0 HA ASP A 53 83.169 11.485 6.613 1.00 1.00 H new ATOM 0 HB2 ASP A 53 84.979 9.982 5.518 1.00 1.00 H new ATOM 0 HB3 ASP A 53 83.659 9.022 4.882 1.00 1.00 H new ATOM 805 N ILE A 54 80.718 11.033 6.338 1.00 1.00 N ATOM 806 CA ILE A 54 79.267 10.792 6.068 1.00 1.00 C ATOM 807 C ILE A 54 78.758 11.851 5.081 1.00 1.00 C ATOM 808 O ILE A 54 78.145 12.826 5.468 1.00 1.00 O ATOM 809 CB ILE A 54 78.471 10.888 7.384 1.00 1.00 C ATOM 810 CG1 ILE A 54 79.271 11.702 8.404 1.00 1.00 C ATOM 811 CG2 ILE A 54 78.224 9.483 7.936 1.00 1.00 C ATOM 812 CD1 ILE A 54 80.255 10.784 9.131 1.00 1.00 C ATOM 0 H ILE A 54 80.941 11.964 6.689 1.00 1.00 H new ATOM 0 HA ILE A 54 79.134 9.798 5.642 1.00 1.00 H new ATOM 0 HB ILE A 54 77.515 11.377 7.195 1.00 1.00 H new ATOM 0 HG12 ILE A 54 79.810 12.505 7.902 1.00 1.00 H new ATOM 0 HG13 ILE A 54 78.597 12.170 9.121 1.00 1.00 H new ATOM 0 HG21 ILE A 54 77.661 9.552 8.867 1.00 1.00 H new ATOM 0 HG22 ILE A 54 77.656 8.902 7.210 1.00 1.00 H new ATOM 0 HG23 ILE A 54 79.179 8.993 8.125 1.00 1.00 H new ATOM 0 HD11 ILE A 54 80.825 11.364 9.857 1.00 1.00 H new ATOM 0 HD12 ILE A 54 79.705 9.996 9.646 1.00 1.00 H new ATOM 0 HD13 ILE A 54 80.937 10.337 8.408 1.00 1.00 H new ATOM 824 N PRO A 55 79.016 11.659 3.812 1.00 1.00 N ATOM 825 CA PRO A 55 78.588 12.605 2.747 1.00 1.00 C ATOM 826 C PRO A 55 77.169 12.320 2.237 1.00 1.00 C ATOM 827 O PRO A 55 76.378 13.221 2.042 1.00 1.00 O ATOM 828 CB PRO A 55 79.613 12.350 1.644 1.00 1.00 C ATOM 829 CG PRO A 55 79.970 10.905 1.777 1.00 1.00 C ATOM 830 CD PRO A 55 79.753 10.518 3.246 1.00 1.00 C ATOM 0 HA PRO A 55 78.552 13.636 3.100 1.00 1.00 H new ATOM 0 HB2 PRO A 55 79.196 12.565 0.660 1.00 1.00 H new ATOM 0 HB3 PRO A 55 80.490 12.986 1.765 1.00 1.00 H new ATOM 0 HG2 PRO A 55 79.349 10.293 1.122 1.00 1.00 H new ATOM 0 HG3 PRO A 55 81.006 10.736 1.483 1.00 1.00 H new ATOM 0 HD2 PRO A 55 79.184 9.592 3.335 1.00 1.00 H new ATOM 0 HD3 PRO A 55 80.701 10.360 3.761 1.00 1.00 H new ATOM 838 N GLY A 56 76.846 11.076 2.008 1.00 1.00 N ATOM 839 CA GLY A 56 75.485 10.738 1.498 1.00 1.00 C ATOM 840 C GLY A 56 74.504 10.600 2.665 1.00 1.00 C ATOM 841 O GLY A 56 73.474 9.966 2.548 1.00 1.00 O ATOM 0 H GLY A 56 77.465 10.279 2.152 1.00 1.00 H new ATOM 0 HA2 GLY A 56 75.142 11.514 0.814 1.00 1.00 H new ATOM 0 HA3 GLY A 56 75.521 9.807 0.932 1.00 1.00 H new ATOM 845 N MET A 57 74.806 11.189 3.789 1.00 1.00 N ATOM 846 CA MET A 57 73.877 11.083 4.950 1.00 1.00 C ATOM 847 C MET A 57 72.632 11.931 4.683 1.00 1.00 C ATOM 848 O MET A 57 71.679 11.904 5.436 1.00 1.00 O ATOM 849 CB MET A 57 74.579 11.583 6.216 1.00 1.00 C ATOM 850 CG MET A 57 73.582 11.619 7.376 1.00 1.00 C ATOM 851 SD MET A 57 72.810 13.254 7.457 1.00 1.00 S ATOM 852 CE MET A 57 71.802 12.956 8.930 1.00 1.00 C ATOM 0 H MET A 57 75.651 11.736 3.954 1.00 1.00 H new ATOM 0 HA MET A 57 73.584 10.042 5.089 1.00 1.00 H new ATOM 0 HB2 MET A 57 75.415 10.929 6.462 1.00 1.00 H new ATOM 0 HB3 MET A 57 74.991 12.578 6.047 1.00 1.00 H new ATOM 0 HG2 MET A 57 72.820 10.852 7.239 1.00 1.00 H new ATOM 0 HG3 MET A 57 74.091 11.398 8.314 1.00 1.00 H new ATOM 0 HE1 MET A 57 71.230 13.853 9.167 1.00 1.00 H new ATOM 0 HE2 MET A 57 71.118 12.129 8.742 1.00 1.00 H new ATOM 0 HE3 MET A 57 72.450 12.707 9.770 1.00 1.00 H new ATOM 862 N GLU A 58 72.634 12.682 3.612 1.00 1.00 N ATOM 863 CA GLU A 58 71.453 13.535 3.284 1.00 1.00 C ATOM 864 C GLU A 58 70.927 13.164 1.896 1.00 1.00 C ATOM 865 O GLU A 58 69.962 13.725 1.417 1.00 1.00 O ATOM 866 CB GLU A 58 71.871 15.007 3.290 1.00 1.00 C ATOM 867 CG GLU A 58 72.124 15.461 4.729 1.00 1.00 C ATOM 868 CD GLU A 58 70.791 15.574 5.471 1.00 1.00 C ATOM 869 OE1 GLU A 58 70.079 16.535 5.226 1.00 1.00 O ATOM 870 OE2 GLU A 58 70.504 14.699 6.270 1.00 1.00 O ATOM 0 H GLU A 58 73.406 12.741 2.948 1.00 1.00 H new ATOM 0 HA GLU A 58 70.671 13.374 4.026 1.00 1.00 H new ATOM 0 HB2 GLU A 58 72.772 15.142 2.691 1.00 1.00 H new ATOM 0 HB3 GLU A 58 71.092 15.619 2.836 1.00 1.00 H new ATOM 0 HG2 GLU A 58 72.776 14.750 5.237 1.00 1.00 H new ATOM 0 HG3 GLU A 58 72.637 16.423 4.733 1.00 1.00 H new ATOM 877 N GLY A 59 71.555 12.222 1.246 1.00 1.00 N ATOM 878 CA GLY A 59 71.091 11.816 -0.112 1.00 1.00 C ATOM 879 C GLY A 59 70.026 10.726 0.015 1.00 1.00 C ATOM 880 O GLY A 59 69.593 10.152 -0.965 1.00 1.00 O ATOM 0 H GLY A 59 72.369 11.716 1.596 1.00 1.00 H new ATOM 0 HA2 GLY A 59 70.683 12.677 -0.641 1.00 1.00 H new ATOM 0 HA3 GLY A 59 71.932 11.450 -0.701 1.00 1.00 H new ATOM 884 N CYS A 60 69.599 10.435 1.214 1.00 1.00 N ATOM 885 CA CYS A 60 68.563 9.380 1.402 1.00 1.00 C ATOM 886 C CYS A 60 67.746 9.688 2.660 1.00 1.00 C ATOM 887 O CYS A 60 66.693 10.291 2.595 1.00 1.00 O ATOM 888 CB CYS A 60 69.244 8.013 1.547 1.00 1.00 C ATOM 889 SG CYS A 60 70.999 8.250 1.920 1.00 1.00 S ATOM 0 H CYS A 60 69.923 10.882 2.071 1.00 1.00 H new ATOM 0 HA CYS A 60 67.900 9.360 0.537 1.00 1.00 H new ATOM 0 HB2 CYS A 60 68.767 7.439 2.341 1.00 1.00 H new ATOM 0 HB3 CYS A 60 69.131 7.439 0.627 1.00 1.00 H new ATOM 894 N GLY A 61 68.219 9.278 3.804 1.00 1.00 N ATOM 895 CA GLY A 61 67.465 9.549 5.062 1.00 1.00 C ATOM 896 C GLY A 61 68.419 9.487 6.255 1.00 1.00 C ATOM 897 O GLY A 61 69.370 10.239 6.340 1.00 1.00 O ATOM 0 H GLY A 61 69.094 8.767 3.923 1.00 1.00 H new ATOM 0 HA2 GLY A 61 66.994 10.530 5.011 1.00 1.00 H new ATOM 0 HA3 GLY A 61 66.666 8.818 5.184 1.00 1.00 H new ATOM 901 N THR A 62 68.174 8.596 7.178 1.00 1.00 N ATOM 902 CA THR A 62 69.066 8.482 8.367 1.00 1.00 C ATOM 903 C THR A 62 69.230 7.008 8.739 1.00 1.00 C ATOM 904 O THR A 62 69.765 6.677 9.779 1.00 1.00 O ATOM 905 CB THR A 62 68.451 9.238 9.546 1.00 1.00 C ATOM 906 OG1 THR A 62 67.391 8.470 10.097 1.00 1.00 O ATOM 907 CG2 THR A 62 67.912 10.586 9.065 1.00 1.00 C ATOM 0 H THR A 62 67.392 7.941 7.159 1.00 1.00 H new ATOM 0 HA THR A 62 70.040 8.911 8.131 1.00 1.00 H new ATOM 0 HB THR A 62 69.212 9.406 10.308 1.00 1.00 H new ATOM 0 HG1 THR A 62 66.997 8.952 10.854 1.00 1.00 H new ATOM 0 HG21 THR A 62 67.474 11.124 9.906 1.00 1.00 H new ATOM 0 HG22 THR A 62 68.727 11.174 8.643 1.00 1.00 H new ATOM 0 HG23 THR A 62 67.150 10.422 8.303 1.00 1.00 H new ATOM 915 N ASP A 63 68.780 6.120 7.896 1.00 1.00 N ATOM 916 CA ASP A 63 68.918 4.670 8.202 1.00 1.00 C ATOM 917 C ASP A 63 70.393 4.277 8.112 1.00 1.00 C ATOM 918 O ASP A 63 70.733 3.115 8.005 1.00 1.00 O ATOM 919 CB ASP A 63 68.107 3.854 7.193 1.00 1.00 C ATOM 920 CG ASP A 63 68.175 2.371 7.562 1.00 1.00 C ATOM 921 OD1 ASP A 63 68.120 2.072 8.744 1.00 1.00 O ATOM 922 OD2 ASP A 63 68.281 1.560 6.657 1.00 1.00 O ATOM 0 H ASP A 63 68.323 6.336 7.010 1.00 1.00 H new ATOM 0 HA ASP A 63 68.546 4.470 9.207 1.00 1.00 H new ATOM 0 HB2 ASP A 63 67.070 4.191 7.187 1.00 1.00 H new ATOM 0 HB3 ASP A 63 68.498 4.008 6.187 1.00 1.00 H new ATOM 927 N ILE A 64 71.273 5.243 8.154 1.00 1.00 N ATOM 928 CA ILE A 64 72.731 4.942 8.072 1.00 1.00 C ATOM 929 C ILE A 64 73.477 5.790 9.105 1.00 1.00 C ATOM 930 O ILE A 64 73.559 5.440 10.263 1.00 1.00 O ATOM 931 CB ILE A 64 73.240 5.279 6.666 1.00 1.00 C ATOM 932 CG1 ILE A 64 72.353 4.591 5.626 1.00 1.00 C ATOM 933 CG2 ILE A 64 74.680 4.786 6.512 1.00 1.00 C ATOM 934 CD1 ILE A 64 72.890 4.884 4.223 1.00 1.00 C ATOM 0 H ILE A 64 71.042 6.233 8.242 1.00 1.00 H new ATOM 0 HA ILE A 64 72.903 3.885 8.275 1.00 1.00 H new ATOM 0 HB ILE A 64 73.208 6.358 6.517 1.00 1.00 H new ATOM 0 HG12 ILE A 64 72.334 3.516 5.803 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.326 4.946 5.716 1.00 1.00 H new ATOM 0 HG21 ILE A 64 75.042 5.026 5.512 1.00 1.00 H new ATOM 0 HG22 ILE A 64 75.313 5.274 7.253 1.00 1.00 H new ATOM 0 HG23 ILE A 64 74.713 3.707 6.661 1.00 1.00 H new ATOM 0 HD11 ILE A 64 72.258 4.394 3.482 1.00 1.00 H new ATOM 0 HD12 ILE A 64 72.886 5.960 4.049 1.00 1.00 H new ATOM 0 HD13 ILE A 64 73.909 4.507 4.137 1.00 1.00 H new ATOM 946 N THR A 65 74.019 6.900 8.684 1.00 1.00 N ATOM 947 CA THR A 65 74.765 7.790 9.616 1.00 1.00 C ATOM 948 C THR A 65 76.018 7.077 10.113 1.00 1.00 C ATOM 949 O THR A 65 77.125 7.533 9.906 1.00 1.00 O ATOM 950 CB THR A 65 73.873 8.168 10.805 1.00 1.00 C ATOM 951 OG1 THR A 65 73.822 7.083 11.720 1.00 1.00 O ATOM 952 CG2 THR A 65 72.462 8.485 10.307 1.00 1.00 C ATOM 0 H THR A 65 73.975 7.232 7.720 1.00 1.00 H new ATOM 0 HA THR A 65 75.055 8.699 9.088 1.00 1.00 H new ATOM 0 HB THR A 65 74.285 9.045 11.304 1.00 1.00 H new ATOM 0 HG1 THR A 65 73.425 6.302 11.280 1.00 1.00 H new ATOM 0 HG21 THR A 65 71.829 8.753 11.153 1.00 1.00 H new ATOM 0 HG22 THR A 65 72.502 9.318 9.605 1.00 1.00 H new ATOM 0 HG23 THR A 65 72.047 7.610 9.807 1.00 1.00 H new ATOM 960 N VAL A 66 75.859 5.966 10.775 1.00 1.00 N ATOM 961 CA VAL A 66 77.049 5.236 11.293 1.00 1.00 C ATOM 962 C VAL A 66 76.713 3.748 11.439 1.00 1.00 C ATOM 963 O VAL A 66 77.584 2.902 11.391 1.00 1.00 O ATOM 964 CB VAL A 66 77.441 5.820 12.660 1.00 1.00 C ATOM 965 CG1 VAL A 66 78.701 6.675 12.509 1.00 1.00 C ATOM 966 CG2 VAL A 66 76.298 6.689 13.188 1.00 1.00 C ATOM 0 H VAL A 66 74.959 5.532 10.980 1.00 1.00 H new ATOM 0 HA VAL A 66 77.882 5.346 10.599 1.00 1.00 H new ATOM 0 HB VAL A 66 77.635 5.007 13.360 1.00 1.00 H new ATOM 0 HG11 VAL A 66 78.978 7.089 13.479 1.00 1.00 H new ATOM 0 HG12 VAL A 66 79.516 6.058 12.131 1.00 1.00 H new ATOM 0 HG13 VAL A 66 78.507 7.488 11.810 1.00 1.00 H new ATOM 0 HG21 VAL A 66 76.574 7.104 14.157 1.00 1.00 H new ATOM 0 HG22 VAL A 66 76.105 7.501 12.487 1.00 1.00 H new ATOM 0 HG23 VAL A 66 75.399 6.082 13.296 1.00 1.00 H new ATOM 976 N ILE A 67 75.458 3.420 11.622 1.00 1.00 N ATOM 977 CA ILE A 67 75.076 1.982 11.775 1.00 1.00 C ATOM 978 C ILE A 67 73.844 1.673 10.919 1.00 1.00 C ATOM 979 O ILE A 67 72.723 1.923 11.313 1.00 1.00 O ATOM 980 CB ILE A 67 74.751 1.683 13.243 1.00 1.00 C ATOM 981 CG1 ILE A 67 76.019 1.838 14.086 1.00 1.00 C ATOM 982 CG2 ILE A 67 74.228 0.251 13.370 1.00 1.00 C ATOM 983 CD1 ILE A 67 76.822 0.537 14.044 1.00 1.00 C ATOM 0 H ILE A 67 74.684 4.083 11.672 1.00 1.00 H new ATOM 0 HA ILE A 67 75.911 1.362 11.450 1.00 1.00 H new ATOM 0 HB ILE A 67 73.990 2.380 13.596 1.00 1.00 H new ATOM 0 HG12 ILE A 67 76.622 2.663 13.706 1.00 1.00 H new ATOM 0 HG13 ILE A 67 75.757 2.083 15.115 1.00 1.00 H new ATOM 0 HG21 ILE A 67 73.997 0.039 14.414 1.00 1.00 H new ATOM 0 HG22 ILE A 67 73.326 0.139 12.769 1.00 1.00 H new ATOM 0 HG23 ILE A 67 74.988 -0.446 13.018 1.00 1.00 H new ATOM 0 HD11 ILE A 67 77.725 0.647 14.644 1.00 1.00 H new ATOM 0 HD12 ILE A 67 76.217 -0.277 14.444 1.00 1.00 H new ATOM 0 HD13 ILE A 67 77.097 0.312 13.013 1.00 1.00 H new ATOM 995 N CYS A 68 74.046 1.109 9.759 1.00 1.00 N ATOM 996 CA CYS A 68 72.893 0.756 8.882 1.00 1.00 C ATOM 997 C CYS A 68 72.535 -0.717 9.109 1.00 1.00 C ATOM 998 O CYS A 68 73.403 -1.551 9.254 1.00 1.00 O ATOM 999 CB CYS A 68 73.288 0.977 7.417 1.00 1.00 C ATOM 1000 SG CYS A 68 72.087 0.161 6.336 1.00 1.00 S ATOM 0 H CYS A 68 74.964 0.877 9.380 1.00 1.00 H new ATOM 0 HA CYS A 68 72.033 1.382 9.118 1.00 1.00 H new ATOM 0 HB2 CYS A 68 73.325 2.044 7.197 1.00 1.00 H new ATOM 0 HB3 CYS A 68 74.286 0.579 7.235 1.00 1.00 H new ATOM 1005 N PRO A 69 71.269 -1.049 9.162 1.00 1.00 N ATOM 1006 CA PRO A 69 70.822 -2.450 9.394 1.00 1.00 C ATOM 1007 C PRO A 69 71.768 -3.484 8.775 1.00 1.00 C ATOM 1008 O PRO A 69 72.119 -4.464 9.401 1.00 1.00 O ATOM 1009 CB PRO A 69 69.451 -2.481 8.725 1.00 1.00 C ATOM 1010 CG PRO A 69 68.915 -1.093 8.887 1.00 1.00 C ATOM 1011 CD PRO A 69 70.119 -0.146 9.000 1.00 1.00 C ATOM 0 HA PRO A 69 70.802 -2.711 10.452 1.00 1.00 H new ATOM 0 HB2 PRO A 69 69.530 -2.754 7.673 1.00 1.00 H new ATOM 0 HB3 PRO A 69 68.797 -3.215 9.196 1.00 1.00 H new ATOM 0 HG2 PRO A 69 68.291 -0.821 8.036 1.00 1.00 H new ATOM 0 HG3 PRO A 69 68.288 -1.025 9.776 1.00 1.00 H new ATOM 0 HD2 PRO A 69 70.222 0.476 8.111 1.00 1.00 H new ATOM 0 HD3 PRO A 69 70.018 0.528 9.851 1.00 1.00 H new ATOM 1019 N TRP A 70 72.191 -3.276 7.559 1.00 1.00 N ATOM 1020 CA TRP A 70 73.120 -4.255 6.927 1.00 1.00 C ATOM 1021 C TRP A 70 74.544 -3.997 7.429 1.00 1.00 C ATOM 1022 O TRP A 70 75.394 -4.864 7.381 1.00 1.00 O ATOM 1023 CB TRP A 70 73.070 -4.104 5.406 1.00 1.00 C ATOM 1024 CG TRP A 70 71.785 -4.669 4.891 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.619 -5.932 4.436 1.00 1.00 C ATOM 1026 CD2 TRP A 70 70.487 -4.016 4.770 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.304 -6.097 4.044 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.566 -4.946 4.229 1.00 1.00 C ATOM 1029 CE3 TRP A 70 70.025 -2.724 5.072 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 68.231 -4.602 3.998 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 68.686 -2.375 4.841 1.00 1.00 C ATOM 1032 CH2 TRP A 70 67.791 -3.311 4.306 1.00 1.00 C ATOM 0 H TRP A 70 71.936 -2.477 6.979 1.00 1.00 H new ATOM 0 HA TRP A 70 72.820 -5.269 7.193 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.153 -3.052 5.131 1.00 1.00 H new ATOM 0 HB3 TRP A 70 73.915 -4.620 4.951 1.00 1.00 H new ATOM 0 HD1 TRP A 70 72.389 -6.688 4.387 1.00 1.00 H new ATOM 0 HE1 TRP A 70 69.925 -6.964 3.664 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.706 -1.994 5.485 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 67.545 -5.327 3.585 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 68.343 -1.379 5.077 1.00 1.00 H new ATOM 0 HH2 TRP A 70 66.761 -3.035 4.132 1.00 1.00 H new ATOM 1043 N GLU A 71 74.810 -2.814 7.921 1.00 1.00 N ATOM 1044 CA GLU A 71 76.178 -2.513 8.435 1.00 1.00 C ATOM 1045 C GLU A 71 76.624 -3.650 9.351 1.00 1.00 C ATOM 1046 O GLU A 71 77.786 -3.781 9.682 1.00 1.00 O ATOM 1047 CB GLU A 71 76.162 -1.201 9.227 1.00 1.00 C ATOM 1048 CG GLU A 71 77.569 -0.900 9.748 1.00 1.00 C ATOM 1049 CD GLU A 71 77.748 -1.532 11.130 1.00 1.00 C ATOM 1050 OE1 GLU A 71 76.869 -2.273 11.539 1.00 1.00 O ATOM 1051 OE2 GLU A 71 78.760 -1.263 11.755 1.00 1.00 O ATOM 0 H GLU A 71 74.141 -2.047 7.989 1.00 1.00 H new ATOM 0 HA GLU A 71 76.868 -2.415 7.597 1.00 1.00 H new ATOM 0 HB2 GLU A 71 75.816 -0.385 8.592 1.00 1.00 H new ATOM 0 HB3 GLU A 71 75.463 -1.276 10.060 1.00 1.00 H new ATOM 0 HG2 GLU A 71 78.316 -1.292 9.058 1.00 1.00 H new ATOM 0 HG3 GLU A 71 77.724 0.177 9.806 1.00 1.00 H new ATOM 1058 N ALA A 72 75.702 -4.475 9.759 1.00 1.00 N ATOM 1059 CA ALA A 72 76.050 -5.612 10.651 1.00 1.00 C ATOM 1060 C ALA A 72 77.121 -6.485 9.985 1.00 1.00 C ATOM 1061 O ALA A 72 77.499 -7.518 10.501 1.00 1.00 O ATOM 1062 CB ALA A 72 74.789 -6.440 10.913 1.00 1.00 C ATOM 0 H ALA A 72 74.715 -4.409 9.510 1.00 1.00 H new ATOM 0 HA ALA A 72 76.443 -5.235 11.595 1.00 1.00 H new ATOM 0 HB1 ALA A 72 75.033 -7.277 11.567 1.00 1.00 H new ATOM 0 HB2 ALA A 72 74.035 -5.814 11.391 1.00 1.00 H new ATOM 0 HB3 ALA A 72 74.400 -6.819 9.968 1.00 1.00 H new ATOM 1068 N CYS A 73 77.618 -6.078 8.845 1.00 1.00 N ATOM 1069 CA CYS A 73 78.667 -6.886 8.160 1.00 1.00 C ATOM 1070 C CYS A 73 80.003 -6.691 8.880 1.00 1.00 C ATOM 1071 O CYS A 73 80.765 -7.620 9.059 1.00 1.00 O ATOM 1072 CB CYS A 73 78.781 -6.439 6.696 1.00 1.00 C ATOM 1073 SG CYS A 73 80.122 -5.234 6.530 1.00 1.00 S ATOM 0 H CYS A 73 77.343 -5.223 8.361 1.00 1.00 H new ATOM 0 HA CYS A 73 78.399 -7.942 8.186 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.972 -7.301 6.056 1.00 1.00 H new ATOM 0 HB3 CYS A 73 77.840 -5.999 6.366 1.00 1.00 H new ATOM 1078 N ASN A 74 80.279 -5.490 9.315 1.00 1.00 N ATOM 1079 CA ASN A 74 81.552 -5.227 10.047 1.00 1.00 C ATOM 1080 C ASN A 74 82.752 -5.676 9.210 1.00 1.00 C ATOM 1081 O ASN A 74 82.940 -6.848 8.954 1.00 1.00 O ATOM 1082 CB ASN A 74 81.537 -6.001 11.368 1.00 1.00 C ATOM 1083 CG ASN A 74 82.610 -5.438 12.302 1.00 1.00 C ATOM 1084 OD1 ASN A 74 82.431 -4.389 12.890 1.00 1.00 O ATOM 1085 ND2 ASN A 74 83.726 -6.094 12.465 1.00 1.00 N ATOM 0 H ASN A 74 79.675 -4.677 9.194 1.00 1.00 H new ATOM 0 HA ASN A 74 81.639 -4.157 10.239 1.00 1.00 H new ATOM 0 HB2 ASN A 74 80.556 -5.924 11.836 1.00 1.00 H new ATOM 0 HB3 ASN A 74 81.720 -7.060 11.183 1.00 1.00 H new ATOM 0 HD21 ASN A 74 84.448 -5.727 13.085 1.00 1.00 H new ATOM 0 HD22 ASN A 74 83.877 -6.974 11.972 1.00 1.00 H new ATOM 1092 N HIS A 75 83.576 -4.751 8.794 1.00 1.00 N ATOM 1093 CA HIS A 75 84.773 -5.124 7.986 1.00 1.00 C ATOM 1094 C HIS A 75 84.331 -5.601 6.600 1.00 1.00 C ATOM 1095 O HIS A 75 84.927 -5.264 5.597 1.00 1.00 O ATOM 1096 CB HIS A 75 85.533 -6.249 8.701 1.00 1.00 C ATOM 1097 CG HIS A 75 87.000 -6.146 8.385 1.00 1.00 C ATOM 1098 ND1 HIS A 75 87.753 -7.247 8.003 1.00 1.00 N ATOM 1099 CD2 HIS A 75 87.867 -5.081 8.390 1.00 1.00 C ATOM 1100 CE1 HIS A 75 89.013 -6.826 7.795 1.00 1.00 C ATOM 1101 NE2 HIS A 75 89.136 -5.516 8.017 1.00 1.00 N ATOM 0 H HIS A 75 83.472 -3.753 8.979 1.00 1.00 H new ATOM 0 HA HIS A 75 85.423 -4.257 7.874 1.00 1.00 H new ATOM 0 HB2 HIS A 75 85.377 -6.180 9.778 1.00 1.00 H new ATOM 0 HB3 HIS A 75 85.150 -7.219 8.385 1.00 1.00 H new ATOM 0 HD2 HIS A 75 87.605 -4.064 8.644 1.00 1.00 H new ATOM 0 HE1 HIS A 75 89.825 -7.468 7.487 1.00 1.00 H new ATOM 0 HE2 HIS A 75 89.982 -4.952 7.931 1.00 1.00 H new ATOM 1110 N CYS A 76 83.293 -6.388 6.541 1.00 1.00 N ATOM 1111 CA CYS A 76 82.808 -6.896 5.226 1.00 1.00 C ATOM 1112 C CYS A 76 83.844 -7.851 4.630 1.00 1.00 C ATOM 1113 O CYS A 76 83.505 -8.793 3.942 1.00 1.00 O ATOM 1114 CB CYS A 76 82.585 -5.723 4.271 1.00 1.00 C ATOM 1115 SG CYS A 76 81.325 -6.171 3.051 1.00 1.00 S ATOM 0 H CYS A 76 82.757 -6.703 7.350 1.00 1.00 H new ATOM 0 HA CYS A 76 81.867 -7.427 5.371 1.00 1.00 H new ATOM 0 HB2 CYS A 76 82.270 -4.841 4.828 1.00 1.00 H new ATOM 0 HB3 CYS A 76 83.518 -5.466 3.769 1.00 1.00 H new ATOM 1120 N GLU A 77 85.103 -7.617 4.883 1.00 1.00 N ATOM 1121 CA GLU A 77 86.151 -8.519 4.326 1.00 1.00 C ATOM 1122 C GLU A 77 85.807 -9.964 4.683 1.00 1.00 C ATOM 1123 O GLU A 77 86.320 -10.517 5.636 1.00 1.00 O ATOM 1124 CB GLU A 77 87.513 -8.157 4.922 1.00 1.00 C ATOM 1125 CG GLU A 77 87.758 -6.655 4.762 1.00 1.00 C ATOM 1126 CD GLU A 77 89.238 -6.351 5.002 1.00 1.00 C ATOM 1127 OE1 GLU A 77 90.024 -7.284 4.989 1.00 1.00 O ATOM 1128 OE2 GLU A 77 89.560 -5.190 5.194 1.00 1.00 O ATOM 0 H GLU A 77 85.450 -6.843 5.449 1.00 1.00 H new ATOM 0 HA GLU A 77 86.192 -8.406 3.243 1.00 1.00 H new ATOM 0 HB2 GLU A 77 87.545 -8.431 5.977 1.00 1.00 H new ATOM 0 HB3 GLU A 77 88.301 -8.720 4.423 1.00 1.00 H new ATOM 0 HG2 GLU A 77 87.467 -6.333 3.762 1.00 1.00 H new ATOM 0 HG3 GLU A 77 87.142 -6.098 5.468 1.00 1.00 H new ATOM 1135 N LEU A 78 84.933 -10.575 3.930 1.00 1.00 N ATOM 1136 CA LEU A 78 84.538 -11.982 4.221 1.00 1.00 C ATOM 1137 C LEU A 78 85.073 -12.896 3.114 1.00 1.00 C ATOM 1138 O LEU A 78 86.137 -12.666 2.577 1.00 1.00 O ATOM 1139 CB LEU A 78 83.011 -12.066 4.295 1.00 1.00 C ATOM 1140 CG LEU A 78 82.528 -11.447 5.608 1.00 1.00 C ATOM 1141 CD1 LEU A 78 81.269 -10.618 5.350 1.00 1.00 C ATOM 1142 CD2 LEU A 78 82.209 -12.561 6.608 1.00 1.00 C ATOM 0 H LEU A 78 84.473 -10.157 3.121 1.00 1.00 H new ATOM 0 HA LEU A 78 84.958 -12.303 5.174 1.00 1.00 H new ATOM 0 HB2 LEU A 78 82.566 -11.543 3.449 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.690 -13.106 4.231 1.00 1.00 H new ATOM 0 HG LEU A 78 83.308 -10.804 6.015 1.00 1.00 H new ATOM 0 HD11 LEU A 78 80.925 -10.177 6.286 1.00 1.00 H new ATOM 0 HD12 LEU A 78 81.495 -9.825 4.637 1.00 1.00 H new ATOM 0 HD13 LEU A 78 80.488 -11.260 4.943 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.865 -12.122 7.544 1.00 1.00 H new ATOM 0 HD22 LEU A 78 81.429 -13.204 6.200 1.00 1.00 H new ATOM 0 HD23 LEU A 78 83.106 -13.152 6.793 1.00 1.00 H new ATOM 1154 N HIS A 79 84.352 -13.929 2.769 1.00 1.00 N ATOM 1155 CA HIS A 79 84.841 -14.849 1.701 1.00 1.00 C ATOM 1156 C HIS A 79 83.675 -15.670 1.145 1.00 1.00 C ATOM 1157 O HIS A 79 83.838 -16.439 0.217 1.00 1.00 O ATOM 1158 CB HIS A 79 85.887 -15.806 2.285 1.00 1.00 C ATOM 1159 CG HIS A 79 86.969 -15.015 2.967 1.00 1.00 C ATOM 1160 ND1 HIS A 79 86.971 -14.793 4.337 1.00 1.00 N ATOM 1161 CD2 HIS A 79 88.090 -14.386 2.483 1.00 1.00 C ATOM 1162 CE1 HIS A 79 88.060 -14.060 4.629 1.00 1.00 C ATOM 1163 NE2 HIS A 79 88.775 -13.786 3.536 1.00 1.00 N ATOM 0 H HIS A 79 83.450 -14.175 3.178 1.00 1.00 H new ATOM 0 HA HIS A 79 85.285 -14.256 0.901 1.00 1.00 H new ATOM 0 HB2 HIS A 79 85.416 -16.486 2.996 1.00 1.00 H new ATOM 0 HB3 HIS A 79 86.316 -16.420 1.493 1.00 1.00 H new ATOM 0 HD2 HIS A 79 88.393 -14.361 1.447 1.00 1.00 H new ATOM 0 HE1 HIS A 79 88.323 -13.734 5.624 1.00 1.00 H new ATOM 0 HE2 HIS A 79 89.641 -13.250 3.483 1.00 1.00 H new ATOM 1172 N GLU A 80 82.504 -15.527 1.704 1.00 1.00 N ATOM 1173 CA GLU A 80 81.339 -16.315 1.204 1.00 1.00 C ATOM 1174 C GLU A 80 80.074 -15.458 1.249 1.00 1.00 C ATOM 1175 O GLU A 80 79.014 -15.882 0.831 1.00 1.00 O ATOM 1176 CB GLU A 80 81.149 -17.558 2.081 1.00 1.00 C ATOM 1177 CG GLU A 80 81.439 -17.204 3.541 1.00 1.00 C ATOM 1178 CD GLU A 80 80.455 -16.132 4.012 1.00 1.00 C ATOM 1179 OE1 GLU A 80 79.272 -16.423 4.063 1.00 1.00 O ATOM 1180 OE2 GLU A 80 80.903 -15.038 4.314 1.00 1.00 O ATOM 0 H GLU A 80 82.303 -14.900 2.483 1.00 1.00 H new ATOM 0 HA GLU A 80 81.527 -16.620 0.175 1.00 1.00 H new ATOM 0 HB2 GLU A 80 80.130 -17.933 1.982 1.00 1.00 H new ATOM 0 HB3 GLU A 80 81.815 -18.355 1.750 1.00 1.00 H new ATOM 0 HG2 GLU A 80 81.351 -18.093 4.166 1.00 1.00 H new ATOM 0 HG3 GLU A 80 82.462 -16.843 3.642 1.00 1.00 H new ATOM 1187 N LEU A 81 80.173 -14.256 1.746 1.00 1.00 N ATOM 1188 CA LEU A 81 78.972 -13.375 1.807 1.00 1.00 C ATOM 1189 C LEU A 81 78.991 -12.434 0.599 1.00 1.00 C ATOM 1190 O LEU A 81 78.029 -12.332 -0.136 1.00 1.00 O ATOM 1191 CB LEU A 81 79.007 -12.559 3.113 1.00 1.00 C ATOM 1192 CG LEU A 81 77.611 -12.517 3.736 1.00 1.00 C ATOM 1193 CD1 LEU A 81 76.573 -12.235 2.648 1.00 1.00 C ATOM 1194 CD2 LEU A 81 77.305 -13.866 4.391 1.00 1.00 C ATOM 0 H LEU A 81 81.032 -13.846 2.112 1.00 1.00 H new ATOM 0 HA LEU A 81 78.062 -13.974 1.787 1.00 1.00 H new ATOM 0 HB2 LEU A 81 79.714 -13.005 3.812 1.00 1.00 H new ATOM 0 HB3 LEU A 81 79.355 -11.546 2.910 1.00 1.00 H new ATOM 0 HG LEU A 81 77.574 -11.728 4.488 1.00 1.00 H new ATOM 0 HD11 LEU A 81 75.578 -12.205 3.093 1.00 1.00 H new ATOM 0 HD12 LEU A 81 76.789 -11.275 2.179 1.00 1.00 H new ATOM 0 HD13 LEU A 81 76.611 -13.023 1.896 1.00 1.00 H new ATOM 0 HD21 LEU A 81 76.310 -13.837 4.835 1.00 1.00 H new ATOM 0 HD22 LEU A 81 77.343 -14.653 3.638 1.00 1.00 H new ATOM 0 HD23 LEU A 81 78.043 -14.070 5.167 1.00 1.00 H new ATOM 1206 N ALA A 82 80.082 -11.751 0.384 1.00 1.00 N ATOM 1207 CA ALA A 82 80.162 -10.825 -0.779 1.00 1.00 C ATOM 1208 C ALA A 82 79.773 -11.580 -2.048 1.00 1.00 C ATOM 1209 O ALA A 82 78.852 -11.204 -2.744 1.00 1.00 O ATOM 1210 CB ALA A 82 81.589 -10.291 -0.917 1.00 1.00 C ATOM 0 H ALA A 82 80.920 -11.795 0.963 1.00 1.00 H new ATOM 0 HA ALA A 82 79.481 -9.988 -0.626 1.00 1.00 H new ATOM 0 HB1 ALA A 82 81.643 -9.614 -1.769 1.00 1.00 H new ATOM 0 HB2 ALA A 82 81.866 -9.755 -0.009 1.00 1.00 H new ATOM 0 HB3 ALA A 82 82.276 -11.123 -1.071 1.00 1.00 H new ATOM 1216 N GLN A 83 80.463 -12.644 -2.356 1.00 1.00 N ATOM 1217 CA GLN A 83 80.119 -13.416 -3.582 1.00 1.00 C ATOM 1218 C GLN A 83 79.912 -12.443 -4.747 1.00 1.00 C ATOM 1219 O GLN A 83 80.745 -11.602 -5.019 1.00 1.00 O ATOM 1220 CB GLN A 83 78.828 -14.201 -3.327 1.00 1.00 C ATOM 1221 CG GLN A 83 78.708 -15.336 -4.346 1.00 1.00 C ATOM 1222 CD GLN A 83 77.372 -16.057 -4.153 1.00 1.00 C ATOM 1223 OE1 GLN A 83 76.370 -15.666 -4.718 1.00 1.00 O ATOM 1224 NE2 GLN A 83 77.316 -17.101 -3.372 1.00 1.00 N ATOM 0 H GLN A 83 81.246 -13.010 -1.814 1.00 1.00 H new ATOM 0 HA GLN A 83 80.924 -14.108 -3.829 1.00 1.00 H new ATOM 0 HB2 GLN A 83 78.831 -14.606 -2.315 1.00 1.00 H new ATOM 0 HB3 GLN A 83 77.966 -13.538 -3.403 1.00 1.00 H new ATOM 0 HG2 GLN A 83 78.776 -14.938 -5.359 1.00 1.00 H new ATOM 0 HG3 GLN A 83 79.533 -16.038 -4.223 1.00 1.00 H new ATOM 0 HE21 GLN A 83 78.157 -17.429 -2.898 1.00 1.00 H new ATOM 0 HE22 GLN A 83 76.431 -17.589 -3.236 1.00 1.00 H new ATOM 1233 N TYR A 84 78.802 -12.541 -5.426 1.00 1.00 N ATOM 1234 CA TYR A 84 78.535 -11.613 -6.560 1.00 1.00 C ATOM 1235 C TYR A 84 77.070 -11.756 -6.988 1.00 1.00 C ATOM 1236 O TYR A 84 76.718 -11.552 -8.133 1.00 1.00 O ATOM 1237 CB TYR A 84 79.490 -11.936 -7.725 1.00 1.00 C ATOM 1238 CG TYR A 84 78.805 -12.852 -8.710 1.00 1.00 C ATOM 1239 CD1 TYR A 84 78.665 -14.214 -8.420 1.00 1.00 C ATOM 1240 CD2 TYR A 84 78.309 -12.339 -9.915 1.00 1.00 C ATOM 1241 CE1 TYR A 84 78.030 -15.064 -9.333 1.00 1.00 C ATOM 1242 CE2 TYR A 84 77.674 -13.188 -10.829 1.00 1.00 C ATOM 1243 CZ TYR A 84 77.534 -14.551 -10.538 1.00 1.00 C ATOM 1244 OH TYR A 84 76.908 -15.388 -11.439 1.00 1.00 O ATOM 0 H TYR A 84 78.068 -13.225 -5.244 1.00 1.00 H new ATOM 0 HA TYR A 84 78.709 -10.581 -6.255 1.00 1.00 H new ATOM 0 HB2 TYR A 84 79.796 -11.016 -8.222 1.00 1.00 H new ATOM 0 HB3 TYR A 84 80.396 -12.408 -7.344 1.00 1.00 H new ATOM 0 HD1 TYR A 84 79.047 -14.610 -7.491 1.00 1.00 H new ATOM 0 HD2 TYR A 84 78.416 -11.288 -10.139 1.00 1.00 H new ATOM 0 HE1 TYR A 84 77.923 -16.115 -9.108 1.00 1.00 H new ATOM 0 HE2 TYR A 84 77.292 -12.792 -11.758 1.00 1.00 H new ATOM 0 HH TYR A 84 76.623 -14.872 -12.222 1.00 1.00 H new ATOM 1254 N GLY A 85 76.210 -12.100 -6.063 1.00 1.00 N ATOM 1255 CA GLY A 85 74.762 -12.257 -6.396 1.00 1.00 C ATOM 1256 C GLY A 85 73.916 -11.532 -5.347 1.00 1.00 C ATOM 1257 O GLY A 85 72.704 -11.507 -5.420 1.00 1.00 O ATOM 0 H GLY A 85 76.450 -12.279 -5.088 1.00 1.00 H new ATOM 0 HA2 GLY A 85 74.559 -11.850 -7.387 1.00 1.00 H new ATOM 0 HA3 GLY A 85 74.497 -13.314 -6.425 1.00 1.00 H new ATOM 1261 N ILE A 86 74.547 -10.941 -4.368 1.00 1.00 N ATOM 1262 CA ILE A 86 73.780 -10.218 -3.314 1.00 1.00 C ATOM 1263 C ILE A 86 73.405 -8.822 -3.828 1.00 1.00 C ATOM 1264 O ILE A 86 72.473 -8.663 -4.592 1.00 1.00 O ATOM 1265 CB ILE A 86 74.643 -10.109 -2.045 1.00 1.00 C ATOM 1266 CG1 ILE A 86 74.016 -9.091 -1.090 1.00 1.00 C ATOM 1267 CG2 ILE A 86 76.053 -9.651 -2.423 1.00 1.00 C ATOM 1268 CD1 ILE A 86 74.136 -9.598 0.348 1.00 1.00 C ATOM 0 H ILE A 86 75.560 -10.928 -4.253 1.00 1.00 H new ATOM 0 HA ILE A 86 72.867 -10.763 -3.075 1.00 1.00 H new ATOM 0 HB ILE A 86 74.696 -11.082 -1.557 1.00 1.00 H new ATOM 0 HG12 ILE A 86 74.516 -8.127 -1.190 1.00 1.00 H new ATOM 0 HG13 ILE A 86 72.968 -8.935 -1.345 1.00 1.00 H new ATOM 0 HG21 ILE A 86 76.664 -9.574 -1.524 1.00 1.00 H new ATOM 0 HG22 ILE A 86 76.500 -10.375 -3.104 1.00 1.00 H new ATOM 0 HG23 ILE A 86 76.001 -8.678 -2.911 1.00 1.00 H new ATOM 0 HD11 ILE A 86 73.689 -8.873 1.028 1.00 1.00 H new ATOM 0 HD12 ILE A 86 73.616 -10.552 0.442 1.00 1.00 H new ATOM 0 HD13 ILE A 86 75.188 -9.732 0.600 1.00 1.00 H new ATOM 1280 N CYS A 87 74.122 -7.813 -3.420 1.00 1.00 N ATOM 1281 CA CYS A 87 73.807 -6.434 -3.888 1.00 1.00 C ATOM 1282 C CYS A 87 74.374 -6.232 -5.295 1.00 1.00 C ATOM 1283 CB CYS A 87 74.433 -5.416 -2.931 1.00 1.00 C ATOM 1284 SG CYS A 87 76.203 -5.752 -2.762 1.00 1.00 S ATOM 0 H CYS A 87 74.914 -7.883 -2.781 1.00 1.00 H new ATOM 0 HA CYS A 87 72.726 -6.294 -3.910 1.00 1.00 H new ATOM 0 HB2 CYS A 87 74.279 -4.405 -3.308 1.00 1.00 H new ATOM 0 HB3 CYS A 87 73.947 -5.471 -1.957 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 58.932 -3.066 8.564 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.232 -5.733 8.440 1.00 1.00 O HETATM 1292 O1H RCY A 110 54.574 -6.469 8.672 1.00 1.00 O HETATM 1293 O1J RCY A 110 57.880 -0.674 10.061 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.836 -7.724 8.170 1.00 1.00 C HETATM 1295 C1M RCY A 110 55.614 -3.768 10.043 1.00 1.00 C HETATM 1296 C1P RCY A 110 58.114 -6.244 8.464 1.00 1.00 C HETATM 1297 C1Q RCY A 110 55.791 -6.600 8.790 1.00 1.00 C HETATM 1298 N1R RCY A 110 56.829 -5.485 8.790 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.538 -7.910 8.964 1.00 1.00 C HETATM 1300 C1U RCY A 110 56.626 -3.991 9.051 1.00 1.00 C HETATM 1301 C1V RCY A 110 58.429 -4.094 10.826 1.00 1.00 C HETATM 1302 N1V RCY A 110 57.266 -1.998 10.099 1.00 1.00 N HETATM 1303 C1W RCY A 110 55.877 -2.369 10.615 1.00 1.00 C HETATM 1304 C1X RCY A 110 57.867 -3.317 9.634 1.00 1.00 C HETATM 1305 C1Y RCY A 110 55.865 -2.402 12.146 1.00 1.00 C HETATM 1306 C1Z RCY A 110 54.861 -1.354 10.090 1.00 1.00 C HETATM 0 H1ZB RCY A 110 54.927 -1.302 9.003 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 53.856 -1.663 10.378 1.00 1.00 H new HETATM 0 H1YB RCY A 110 54.892 -2.749 12.495 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.641 -3.080 12.501 1.00 1.00 H new HETATM 0 H1VB RCY A 110 58.806 -5.059 10.486 1.00 1.00 H new HETATM 0 H1VA RCY A 110 59.242 -3.527 11.280 1.00 1.00 H new HETATM 0 H1MA RCY A 110 54.618 -3.828 9.604 1.00 1.00 H new HETATM 0 H1Z RCY A 110 55.075 -0.373 10.514 1.00 1.00 H new HETATM 0 H1Y RCY A 110 56.053 -1.401 12.533 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.641 -4.251 11.562 1.00 1.00 H new HETATM 0 H1S RCY A 110 56.742 -8.113 10.015 1.00 1.00 H new HETATM 0 H1M RCY A 110 55.663 -4.524 10.826 1.00 1.00 H new HETATM 0 H1L RCY A 110 58.636 -8.376 8.520 1.00 1.00 H new HETATM 0 H1C RCY A 110 59.798 -2.586 9.019 1.00 1.00 H new HETATM 1309 C1C RCY A 121 64.843 -1.850 -6.029 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.253 0.251 -7.017 1.00 1.00 O HETATM 1311 O1H RCY A 121 59.884 -0.891 -5.635 1.00 1.00 O HETATM 1312 O1J RCY A 121 63.756 -2.689 -3.348 1.00 1.00 O HETATM 1313 C1L RCY A 121 62.359 1.565 -6.197 1.00 1.00 C HETATM 1314 C1M RCY A 121 61.438 -3.263 -6.349 1.00 1.00 C HETATM 1315 C1P RCY A 121 63.083 0.287 -6.639 1.00 1.00 C HETATM 1316 C1Q RCY A 121 60.840 -0.312 -6.149 1.00 1.00 C HETATM 1317 N1R RCY A 121 62.171 -0.936 -6.552 1.00 1.00 N HETATM 1318 C1S RCY A 121 60.911 1.163 -6.499 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.498 -2.409 -6.802 1.00 1.00 C HETATM 1320 C1V RCY A 121 64.201 -4.257 -6.498 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.117 -2.999 -4.624 1.00 1.00 N HETATM 1322 C1W RCY A 121 61.695 -3.508 -4.856 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.718 -2.887 -6.018 1.00 1.00 C HETATM 1324 C1Y RCY A 121 61.601 -5.001 -4.531 1.00 1.00 C HETATM 1325 C1Z RCY A 121 60.728 -2.705 -3.987 1.00 1.00 C HETATM 0 H1ZB RCY A 121 60.854 -1.641 -4.190 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 59.704 -2.999 -4.215 1.00 1.00 H new HETATM 0 H1YB RCY A 121 60.605 -5.366 -4.782 1.00 1.00 H new HETATM 0 H1YA RCY A 121 62.345 -5.547 -5.111 1.00 1.00 H new HETATM 0 H1VB RCY A 121 64.578 -4.173 -7.517 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.998 -4.611 -5.844 1.00 1.00 H new HETATM 0 H1MA RCY A 121 60.466 -2.794 -6.505 1.00 1.00 H new HETATM 0 H1LA RCY A 121 62.518 1.792 -5.143 1.00 1.00 H new HETATM 0 H1CB RCY A 121 65.151 -1.658 -7.057 1.00 1.00 H new HETATM 0 H1CA RCY A 121 64.488 -0.923 -5.578 1.00 1.00 H new HETATM 0 H1Z RCY A 121 60.936 -2.900 -2.935 1.00 1.00 H new HETATM 0 H1Y RCY A 121 61.786 -5.154 -3.468 1.00 1.00 H new HETATM 0 H1V RCY A 121 63.372 -4.964 -6.475 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.665 -2.468 -7.878 1.00 1.00 H new HETATM 0 H1S RCY A 121 60.663 1.334 -7.547 1.00 1.00 H new HETATM 0 H1M RCY A 121 61.431 -4.202 -6.902 1.00 1.00 H new HETATM 0 H1L RCY A 121 62.676 2.441 -6.763 1.00 1.00 H new HETATM 0 H1C RCY A 121 65.692 -2.229 -5.460 1.00 1.00 H new HETATM 1328 C1C RCY A 130 83.042 11.517 -10.878 1.00 1.00 C HETATM 1329 O1G RCY A 130 80.614 7.444 -13.603 1.00 1.00 O HETATM 1330 O1H RCY A 130 80.278 11.233 -10.804 1.00 1.00 O HETATM 1331 O1J RCY A 130 85.881 10.877 -11.655 1.00 1.00 O HETATM 1332 C1L RCY A 130 78.733 8.836 -12.888 1.00 1.00 C HETATM 1333 C1M RCY A 130 83.225 8.354 -12.790 1.00 1.00 C HETATM 1334 C1P RCY A 130 80.198 8.384 -12.928 1.00 1.00 C HETATM 1335 C1Q RCY A 130 80.054 10.157 -11.357 1.00 1.00 C HETATM 1336 N1R RCY A 130 81.078 9.247 -12.024 1.00 1.00 N HETATM 1337 C1S RCY A 130 78.698 9.490 -11.502 1.00 1.00 C HETATM 1338 C1U RCY A 130 82.595 9.213 -11.830 1.00 1.00 C HETATM 1339 C1V RCY A 130 82.801 11.203 -13.382 1.00 1.00 C HETATM 1340 N1V RCY A 130 84.714 10.154 -12.153 1.00 1.00 N HETATM 1341 C1W RCY A 130 84.687 8.811 -12.878 1.00 1.00 C HETATM 1342 C1X RCY A 130 83.253 10.573 -12.064 1.00 1.00 C HETATM 1343 C1Y RCY A 130 85.110 8.983 -14.340 1.00 1.00 C HETATM 1344 C1Z RCY A 130 85.618 7.835 -12.159 1.00 1.00 C HETATM 0 H1YB RCY A 130 85.005 8.033 -14.863 1.00 1.00 H new HETATM 0 H1YA RCY A 130 84.477 9.731 -14.816 1.00 1.00 H new HETATM 0 H1VB RCY A 130 81.740 11.446 -13.324 1.00 1.00 H new HETATM 0 H1VA RCY A 130 83.372 12.113 -13.565 1.00 1.00 H new HETATM 0 H1MA RCY A 130 83.161 7.311 -12.480 1.00 1.00 H new HETATM 0 H1LA RCY A 130 78.491 9.537 -13.687 1.00 1.00 H new HETATM 0 H1CB RCY A 130 81.975 11.675 -10.724 1.00 1.00 H new HETATM 0 H1CA RCY A 130 83.476 11.077 -9.981 1.00 1.00 H new HETATM 0 H1Y RCY A 130 86.150 9.307 -14.382 1.00 1.00 H new HETATM 0 H1V RCY A 130 82.968 10.500 -14.198 1.00 1.00 H new HETATM 0 H1U RCY A 130 82.727 8.874 -10.802 1.00 1.00 H new HETATM 0 H1S RCY A 130 78.535 8.750 -10.719 1.00 1.00 H new HETATM 0 H1M RCY A 130 82.735 8.429 -13.761 1.00 1.00 H new HETATM 0 H1L RCY A 130 78.036 8.002 -12.974 1.00 1.00 H new HETATM 0 H1C RCY A 130 83.525 12.473 -11.083 1.00 1.00 H new HETATM 1347 C1C RCY A 138 84.489 0.189 -2.313 1.00 1.00 C HETATM 1348 O1G RCY A 138 86.820 2.092 -2.716 1.00 1.00 O HETATM 1349 O1H RCY A 138 83.627 5.096 -4.470 1.00 1.00 O HETATM 1350 O1J RCY A 138 81.681 -0.324 -1.354 1.00 1.00 O HETATM 1351 C1L RCY A 138 86.957 3.930 -4.325 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.409 3.239 -2.572 1.00 1.00 C HETATM 1353 C1P RCY A 138 86.248 2.968 -3.363 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.574 4.319 -4.363 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.745 3.234 -3.307 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.793 4.263 -5.265 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.678 2.585 -2.423 1.00 1.00 C HETATM 1358 C1V RCY A 138 83.143 0.982 -4.309 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.103 0.898 -2.032 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.350 2.224 -2.122 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.392 1.134 -2.807 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.222 2.130 -3.154 1.00 1.00 C HETATM 1363 C1Z RCY A 138 80.792 2.577 -0.744 1.00 1.00 C HETATM 0 H1ZB RCY A 138 81.601 2.580 -0.014 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 80.332 3.564 -0.780 1.00 1.00 H new HETATM 0 H1YB RCY A 138 79.750 3.106 -3.267 1.00 1.00 H new HETATM 0 H1YA RCY A 138 80.632 1.812 -4.113 1.00 1.00 H new HETATM 0 H1VB RCY A 138 84.059 1.208 -4.854 1.00 1.00 H new HETATM 0 H1VA RCY A 138 82.835 -0.041 -4.525 1.00 1.00 H new HETATM 0 H1MA RCY A 138 82.364 4.144 -1.966 1.00 1.00 H new HETATM 0 H1LA RCY A 138 87.351 4.812 -3.819 1.00 1.00 H new HETATM 0 H1CB RCY A 138 85.443 0.478 -2.753 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.558 0.248 -1.227 1.00 1.00 H new HETATM 0 H1Z RCY A 138 80.044 1.839 -0.454 1.00 1.00 H new HETATM 0 H1Y RCY A 138 79.481 1.405 -2.818 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.357 1.671 -4.619 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.083 2.661 -1.414 1.00 1.00 H new HETATM 0 H1S RCY A 138 85.679 3.504 -6.039 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.245 3.540 -3.607 1.00 1.00 H new HETATM 0 H1L RCY A 138 87.792 3.461 -4.845 1.00 1.00 H new HETATM 0 H1C RCY A 138 84.248 -0.833 -2.606 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.332 2.209 10.115 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.949 3.280 11.261 1.00 1.00 O HETATM 1368 O1H RCY A 150 81.712 1.324 7.144 1.00 1.00 O HETATM 1369 O1J RCY A 150 78.822 0.607 7.616 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.367 3.884 8.927 1.00 1.00 C HETATM 1371 C1M RCY A 150 81.697 -0.624 9.836 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.825 3.012 10.067 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.351 1.884 8.034 1.00 1.00 C HETATM 1374 N1R RCY A 150 82.110 1.771 9.535 1.00 1.00 N HETATM 1375 C1S RCY A 150 83.530 2.819 7.837 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.348 0.688 10.301 1.00 1.00 C HETATM 1377 C1V RCY A 150 79.078 -0.123 11.077 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.732 0.195 8.681 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.792 -0.904 8.630 1.00 1.00 C HETATM 1380 C1X RCY A 150 79.837 0.765 10.089 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.139 -2.284 8.756 1.00 1.00 C HETATM 1382 C1Z RCY A 150 81.566 -0.793 7.317 1.00 1.00 C HETATM 0 H1ZB RCY A 150 81.973 0.213 7.218 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 82.382 -1.516 7.313 1.00 1.00 H new HETATM 0 H1YB RCY A 150 80.913 -3.050 8.802 1.00 1.00 H new HETATM 0 H1YA RCY A 150 79.538 -2.321 9.665 1.00 1.00 H new HETATM 0 H1VB RCY A 150 79.206 0.265 12.088 1.00 1.00 H new HETATM 0 H1VA RCY A 150 78.018 -0.128 10.822 1.00 1.00 H new HETATM 0 H1MA RCY A 150 82.749 -0.670 9.553 1.00 1.00 H new HETATM 0 H1CB RCY A 150 79.565 2.659 11.080 1.00 1.00 H new HETATM 0 H1CA RCY A 150 79.818 2.779 9.323 1.00 1.00 H new HETATM 0 H1Z RCY A 150 80.896 -0.997 6.482 1.00 1.00 H new HETATM 0 H1Y RCY A 150 79.501 -2.465 7.891 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.616 0.857 11.344 1.00 1.00 H new HETATM 0 H1S RCY A 150 84.477 2.289 7.939 1.00 1.00 H new HETATM 0 H1M RCY A 150 81.545 -1.368 10.618 1.00 1.00 H new HETATM 0 H1C RCY A 150 78.253 2.220 9.961 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.814 4.894 2.703 1.00 1.00 C HETATM 1386 O1G RCY A 160 71.928 3.916 -0.679 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.894 7.482 1.711 1.00 1.00 O HETATM 1388 O1J RCY A 160 78.396 4.295 1.274 1.00 1.00 O HETATM 1389 C1L RCY A 160 71.028 5.960 0.320 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.332 4.845 -0.966 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.120 4.939 -0.024 1.00 1.00 C HETATM 1392 C1Q RCY A 160 73.119 6.601 1.343 1.00 1.00 C HETATM 1393 N1R RCY A 160 73.475 5.351 0.548 1.00 1.00 N HETATM 1394 C1S RCY A 160 71.623 6.560 1.598 1.00 1.00 C HETATM 1395 C1U RCY A 160 74.843 4.688 0.374 1.00 1.00 C HETATM 1396 C1V RCY A 160 75.943 6.851 1.096 1.00 1.00 C HETATM 1397 N1V RCY A 160 77.171 4.724 0.605 1.00 1.00 N HETATM 1398 C1W RCY A 160 76.854 4.667 -0.888 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.926 5.327 1.240 1.00 1.00 C HETATM 1400 C1Y RCY A 160 77.567 5.799 -1.631 1.00 1.00 C HETATM 1401 C1Z RCY A 160 77.283 3.307 -1.439 1.00 1.00 C HETATM 0 H1ZA RCY A 160 76.977 3.224 -2.482 1.00 1.00 H new HETATM 0 H1YB RCY A 160 77.264 5.794 -2.678 1.00 1.00 H new HETATM 0 H1YA RCY A 160 77.300 6.755 -1.180 1.00 1.00 H new HETATM 0 H1VB RCY A 160 75.022 7.265 1.505 1.00 1.00 H new HETATM 0 H1VA RCY A 160 76.796 7.258 1.639 1.00 1.00 H new HETATM 0 H1MA RCY A 160 74.887 4.106 -1.632 1.00 1.00 H new HETATM 0 H1LA RCY A 160 70.890 6.704 -0.465 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.842 5.191 3.097 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.917 3.811 2.771 1.00 1.00 H new HETATM 0 H1Z RCY A 160 78.367 3.212 -1.370 1.00 1.00 H new HETATM 0 H1Y RCY A 160 78.645 5.655 -1.564 1.00 1.00 H new HETATM 0 H1V RCY A 160 76.024 7.116 0.042 1.00 1.00 H new HETATM 0 H1U RCY A 160 74.674 3.647 0.648 1.00 1.00 H new HETATM 0 H1S RCY A 160 71.386 5.950 2.470 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.074 5.827 -1.362 1.00 1.00 H new HETATM 0 H1L RCY A 160 70.058 5.492 0.491 1.00 1.00 H new HETATM 0 H1C RCY A 160 76.603 5.371 3.285 1.00 1.00 H new HETATM 1404 C1C RCY A 168 75.522 -0.620 1.671 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.656 4.061 3.382 1.00 1.00 O HETATM 1406 O1H RCY A 168 73.344 -0.638 3.730 1.00 1.00 O HETATM 1407 O1J RCY A 168 76.827 0.404 -0.843 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.909 2.560 5.164 1.00 1.00 C HETATM 1409 C1M RCY A 168 74.431 2.833 0.908 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.430 2.915 3.765 1.00 1.00 C HETATM 1411 C1Q RCY A 168 73.102 0.565 3.816 1.00 1.00 C HETATM 1412 N1R RCY A 168 73.633 1.667 2.907 1.00 1.00 N HETATM 1413 C1S RCY A 168 72.216 1.228 4.855 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.217 1.543 1.499 1.00 1.00 C HETATM 1415 C1V RCY A 168 76.542 1.547 2.502 1.00 1.00 C HETATM 1416 N1V RCY A 168 76.043 1.233 0.068 1.00 1.00 N HETATM 1417 C1W RCY A 168 75.484 2.631 -0.190 1.00 1.00 C HETATM 1418 C1X RCY A 168 75.601 0.897 1.485 1.00 1.00 C HETATM 1419 C1Y RCY A 168 76.592 3.681 -0.073 1.00 1.00 C HETATM 1420 C1Z RCY A 168 74.850 2.669 -1.580 1.00 1.00 C HETATM 0 H1ZB RCY A 168 74.106 1.876 -1.663 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.369 3.635 -1.734 1.00 1.00 H new HETATM 0 H1VB RCY A 168 76.183 1.345 3.511 1.00 1.00 H new HETATM 0 H1VA RCY A 168 77.545 1.136 2.385 1.00 1.00 H new HETATM 0 H1MA RCY A 168 73.505 3.229 0.491 1.00 1.00 H new HETATM 0 H1LA RCY A 168 73.712 2.454 5.894 1.00 1.00 H new HETATM 0 H1Z RCY A 168 75.622 2.523 -2.336 1.00 1.00 H new HETATM 0 H1V RCY A 168 76.570 2.624 2.336 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.488 0.940 0.958 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.207 1.386 4.473 1.00 1.00 H new HETATM 0 H1M RCY A 168 74.777 3.550 1.653 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.220 3.308 5.555 1.00 1.00 H new HETATM 1423 C1C RCY A 173 79.991 -2.283 0.939 1.00 1.00 C HETATM 1424 O1G RCY A 173 79.808 -6.822 1.654 1.00 1.00 O HETATM 1425 O1H RCY A 173 78.474 -3.492 4.725 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.657 -0.988 -0.455 1.00 1.00 O HETATM 1427 C1L RCY A 173 80.110 -6.551 4.067 1.00 1.00 C HETATM 1428 C1M RCY A 173 76.832 -4.061 1.685 1.00 1.00 C HETATM 1429 C1P RCY A 173 79.644 -6.140 2.664 1.00 1.00 C HETATM 1430 C1Q RCY A 173 79.128 -4.346 4.129 1.00 1.00 C HETATM 1431 N1R RCY A 173 78.952 -4.778 2.678 1.00 1.00 N HETATM 1432 C1S RCY A 173 80.266 -5.168 4.707 1.00 1.00 C HETATM 1433 C1U RCY A 173 78.259 -4.031 1.537 1.00 1.00 C HETATM 1434 C1V RCY A 173 78.416 -1.895 2.888 1.00 1.00 C HETATM 1435 N1V RCY A 173 77.529 -2.038 0.550 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.293 -2.877 0.872 1.00 1.00 C HETATM 1437 C1X RCY A 173 78.596 -2.541 1.513 1.00 1.00 C HETATM 1438 C1Y RCY A 173 75.295 -2.065 1.700 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.653 -3.346 -0.435 1.00 1.00 C HETATM 0 H1ZA RCY A 173 74.825 -4.020 -0.214 1.00 1.00 H new HETATM 0 H1YB RCY A 173 74.460 -2.702 1.991 1.00 1.00 H new HETATM 0 H1VB RCY A 173 79.151 -2.304 3.581 1.00 1.00 H new HETATM 0 H1VA RCY A 173 78.556 -0.817 2.805 1.00 1.00 H new HETATM 0 H1MA RCY A 173 76.422 -5.003 1.320 1.00 1.00 H new HETATM 0 H1LA RCY A 173 79.378 -7.170 4.585 1.00 1.00 H new HETATM 0 H1CB RCY A 173 80.736 -2.792 1.550 1.00 1.00 H new HETATM 0 H1Z RCY A 173 75.281 -2.483 -0.988 1.00 1.00 H new HETATM 0 H1V RCY A 173 77.412 -2.103 3.259 1.00 1.00 H new HETATM 0 H1S RCY A 173 81.234 -4.728 4.468 1.00 1.00 H new HETATM 0 H1M RCY A 173 76.547 -3.975 2.734 1.00 1.00 H new HETATM 0 H1C RCY A 173 80.192 -1.212 0.939 1.00 1.00 H new HETATM 1442 C1C RCY A 176 80.047 -6.452 -2.380 1.00 1.00 C HETATM 1443 O1G RCY A 176 83.756 -4.310 -1.076 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.552 -5.478 0.730 1.00 1.00 O HETATM 1445 O1J RCY A 176 77.543 -5.657 -0.908 1.00 1.00 O HETATM 1446 C1L RCY A 176 83.069 -5.362 1.024 1.00 1.00 C HETATM 1447 C1M RCY A 176 79.991 -2.814 -1.702 1.00 1.00 C HETATM 1448 C1P RCY A 176 82.848 -4.692 -0.339 1.00 1.00 C HETATM 1449 C1Q RCY A 176 80.707 -5.074 0.610 1.00 1.00 C HETATM 1450 N1R RCY A 176 81.362 -4.559 -0.666 1.00 1.00 N HETATM 1451 C1S RCY A 176 81.748 -4.998 1.712 1.00 1.00 C HETATM 1452 C1U RCY A 176 80.693 -4.043 -1.941 1.00 1.00 C HETATM 1453 C1V RCY A 176 79.167 -4.608 -3.881 1.00 1.00 C HETATM 1454 N1V RCY A 176 78.498 -4.706 -1.470 1.00 1.00 N HETATM 1455 C1W RCY A 176 78.602 -3.209 -1.187 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.613 -4.987 -2.468 1.00 1.00 C HETATM 1457 C1Y RCY A 176 77.511 -2.445 -1.943 1.00 1.00 C HETATM 1458 C1Z RCY A 176 78.479 -2.974 0.318 1.00 1.00 C HETATM 0 H1VB RCY A 176 79.992 -4.762 -4.576 1.00 1.00 H new HETATM 0 H1MA RCY A 176 80.518 -2.201 -0.971 1.00 1.00 H new HETATM 0 H1LA RCY A 176 83.214 -6.439 0.941 1.00 1.00 H new HETATM 0 H1CB RCY A 176 80.950 -6.600 -2.973 1.00 1.00 H new HETATM 0 H1CA RCY A 176 80.249 -6.710 -1.340 1.00 1.00 H new HETATM 0 H1U RCY A 176 81.514 -3.936 -2.650 1.00 1.00 H new HETATM 0 H1S RCY A 176 81.791 -4.000 2.149 1.00 1.00 H new HETATM 0 H1L RCY A 176 83.937 -4.963 1.549 1.00 1.00 H new HETATM 0 H1C RCY A 176 79.252 -7.091 -2.764 1.00 1.00 H new HETATM 1461 C1C RCY A 187 79.639 0.275 -3.659 1.00 1.00 C HETATM 1462 O1G RCY A 187 78.125 -1.176 -1.432 1.00 1.00 O HETATM 1463 O1H RCY A 187 78.857 -5.076 -3.992 1.00 1.00 O HETATM 1464 O1J RCY A 187 82.033 0.440 -5.477 1.00 1.00 O HETATM 1465 C1L RCY A 187 76.911 -3.289 -1.649 1.00 1.00 C HETATM 1466 C1M RCY A 187 80.953 -3.093 -4.450 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.018 -2.277 -1.970 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.318 -4.128 -3.423 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.971 -2.807 -3.040 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.870 -4.061 -2.973 1.00 1.00 C HETATM 1471 C1U RCY A 187 80.254 -2.180 -3.591 1.00 1.00 C HETATM 1472 C1V RCY A 187 78.925 -1.265 -5.542 1.00 1.00 C HETATM 1473 N1V RCY A 187 81.352 -0.804 -5.133 1.00 1.00 N HETATM 1474 C1W RCY A 187 81.851 -2.232 -5.347 1.00 1.00 C HETATM 1475 C1X RCY A 187 79.986 -0.968 -4.481 1.00 1.00 C HETATM 1476 C1Y RCY A 187 81.694 -2.639 -6.815 1.00 1.00 C HETATM 1477 C1Z RCY A 187 83.315 -2.320 -4.917 1.00 1.00 C HETATM 0 H1ZB RCY A 187 83.414 -1.970 -3.890 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 83.652 -3.355 -4.982 1.00 1.00 H new HETATM 0 H1YB RCY A 187 81.975 -3.685 -6.934 1.00 1.00 H new HETATM 0 H1YA RCY A 187 80.656 -2.505 -7.121 1.00 1.00 H new HETATM 0 H1VB RCY A 187 77.963 -1.434 -5.058 1.00 1.00 H new HETATM 0 H1VA RCY A 187 78.844 -0.418 -6.223 1.00 1.00 H new HETATM 0 H1MA RCY A 187 81.546 -3.799 -3.868 1.00 1.00 H new HETATM 0 H1CB RCY A 187 78.745 0.081 -3.067 1.00 1.00 H new HETATM 0 H1CA RCY A 187 80.469 0.515 -2.995 1.00 1.00 H new HETATM 0 H1Z RCY A 187 83.925 -1.699 -5.573 1.00 1.00 H new HETATM 0 H1Y RCY A 187 82.339 -2.017 -7.436 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.210 -2.155 -6.103 1.00 1.00 H new HETATM 0 H1U RCY A 187 80.824 -1.907 -2.703 1.00 1.00 H new HETATM 0 H1S RCY A 187 76.249 -3.551 -3.710 1.00 1.00 H new HETATM 0 H1M RCY A 187 80.254 -3.679 -5.046 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.456 1.115 -4.329 1.00 1.00 H new