USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl 180:sc= -1.35 (180deg=-1.35) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.13 F(o=-1.7!,f=-0.13) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 141:sc= -0.525 (180deg=-2.28!) USER MOD Single : A 21 THR OG1 : rot 20:sc= 0.0641 USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.0864 (180deg=-0.55) USER MOD Single : A 27 SER OG : rot -45:sc= 1.01 USER MOD Single : A 29 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.015) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -87:sc= 0.26 USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= -0.324 (180deg=-0.426) USER MOD Single : A 38 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.013 USER MOD Single : A 63 GLN :FLIP amide:sc= 0.201 F(o=-0.66,f=0.2) USER MOD Single : A 68 HIS :FLIP no HD1:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.289 K(o=-0.29,f=-0.99) USER MOD Single : A 72 THR OG1 : rot 180:sc=0.000193 USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.144) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 110:sc= -0.66 USER MOD Single : A 86 MET CE :methyl 155:sc= -0.14 (180deg=-1.04) USER MOD Single : A 87 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -11.214 -14.620 6.859 1.00 2.24 N ATOM 38 CA VAL A 5 -12.024 -13.633 6.268 1.00 12.42 C ATOM 39 C VAL A 5 -13.461 -13.795 6.702 1.00 64.52 C ATOM 40 O VAL A 5 -14.034 -14.878 6.554 1.00 75.43 O ATOM 41 CB VAL A 5 -11.996 -13.755 4.746 1.00 34.43 C ATOM 42 CG1 VAL A 5 -12.330 -12.446 4.096 1.00 22.03 C ATOM 43 CG2 VAL A 5 -10.711 -14.366 4.212 1.00 31.45 C ATOM 0 HA VAL A 5 -11.634 -12.665 6.583 1.00 12.42 H new ATOM 0 HB VAL A 5 -12.776 -14.466 4.473 1.00 34.43 H new ATOM 0 HG11 VAL A 5 -12.303 -12.561 3.012 1.00 22.03 H new ATOM 0 HG12 VAL A 5 -13.327 -12.131 4.403 1.00 22.03 H new ATOM 0 HG13 VAL A 5 -11.603 -11.693 4.399 1.00 22.03 H new ATOM 0 HG21 VAL A 5 -10.760 -14.423 3.125 1.00 31.45 H new ATOM 0 HG22 VAL A 5 -9.864 -13.746 4.506 1.00 31.45 H new ATOM 0 HG23 VAL A 5 -10.587 -15.368 4.622 1.00 31.45 H new ATOM 53 N PRO A 6 -14.061 -12.751 7.266 1.00 52.44 N ATOM 54 CA PRO A 6 -15.477 -12.751 7.563 1.00 12.10 C ATOM 55 C PRO A 6 -16.256 -12.691 6.265 1.00 63.10 C ATOM 56 O PRO A 6 -15.825 -12.010 5.313 1.00 2.41 O ATOM 57 CB PRO A 6 -15.713 -11.453 8.326 1.00 72.04 C ATOM 58 CG PRO A 6 -14.374 -10.905 8.646 1.00 64.44 C ATOM 59 CD PRO A 6 -13.406 -11.510 7.677 1.00 1.32 C ATOM 0 HA PRO A 6 -15.784 -13.636 8.120 1.00 12.10 H new ATOM 0 HB2 PRO A 6 -16.287 -10.748 7.725 1.00 72.04 H new ATOM 0 HB3 PRO A 6 -16.285 -11.636 9.236 1.00 72.04 H new ATOM 0 HG2 PRO A 6 -14.373 -9.818 8.563 1.00 64.44 H new ATOM 0 HG3 PRO A 6 -14.094 -11.147 9.671 1.00 64.44 H new ATOM 0 HD2 PRO A 6 -13.225 -10.852 6.827 1.00 1.32 H new ATOM 0 HD3 PRO A 6 -12.439 -11.702 8.143 1.00 1.32 H new ATOM 67 N ALA A 7 -17.379 -13.361 6.203 1.00 73.30 N ATOM 68 CA ALA A 7 -18.177 -13.367 5.006 1.00 74.13 C ATOM 69 C ALA A 7 -18.963 -12.074 4.862 1.00 31.41 C ATOM 70 O ALA A 7 -20.170 -12.018 5.104 1.00 61.35 O ATOM 71 CB ALA A 7 -19.077 -14.572 4.943 1.00 24.20 C ATOM 0 H ALA A 7 -17.761 -13.911 6.972 1.00 73.30 H new ATOM 0 HA ALA A 7 -17.494 -13.433 4.159 1.00 74.13 H new ATOM 0 HB1 ALA A 7 -19.663 -14.540 4.025 1.00 24.20 H new ATOM 0 HB2 ALA A 7 -18.472 -15.479 4.956 1.00 24.20 H new ATOM 0 HB3 ALA A 7 -19.748 -14.570 5.802 1.00 24.20 H new ATOM 77 N ASP A 8 -18.224 -11.032 4.563 1.00 42.03 N ATOM 78 CA ASP A 8 -18.737 -9.681 4.338 1.00 24.02 C ATOM 79 C ASP A 8 -17.582 -8.804 3.911 1.00 42.03 C ATOM 80 O ASP A 8 -17.741 -7.834 3.171 1.00 31.11 O ATOM 81 CB ASP A 8 -19.362 -9.111 5.622 1.00 1.22 C ATOM 82 CG ASP A 8 -19.904 -7.714 5.440 1.00 34.22 C ATOM 83 OD1 ASP A 8 -20.997 -7.561 4.851 1.00 64.42 O ATOM 84 OD2 ASP A 8 -19.268 -6.753 5.911 1.00 52.33 O ATOM 0 H ASP A 8 -17.211 -11.093 4.464 1.00 42.03 H new ATOM 0 HA ASP A 8 -19.508 -9.710 3.569 1.00 24.02 H new ATOM 0 HB2 ASP A 8 -20.167 -9.768 5.951 1.00 1.22 H new ATOM 0 HB3 ASP A 8 -18.612 -9.105 6.413 1.00 1.22 H new ATOM 89 N MET A 9 -16.412 -9.189 4.355 1.00 50.10 N ATOM 90 CA MET A 9 -15.190 -8.462 4.082 1.00 51.21 C ATOM 91 C MET A 9 -14.331 -9.283 3.136 1.00 74.13 C ATOM 92 O MET A 9 -14.505 -10.496 3.035 1.00 60.51 O ATOM 93 CB MET A 9 -14.426 -8.258 5.397 1.00 41.35 C ATOM 94 CG MET A 9 -15.175 -7.456 6.456 1.00 51.32 C ATOM 95 SD MET A 9 -15.348 -5.706 6.055 1.00 62.22 S ATOM 96 CE MET A 9 -13.640 -5.163 6.199 1.00 14.52 C ATOM 0 H MET A 9 -16.276 -10.025 4.923 1.00 50.10 H new ATOM 0 HA MET A 9 -15.423 -7.496 3.633 1.00 51.21 H new ATOM 0 HB2 MET A 9 -14.177 -9.235 5.811 1.00 41.35 H new ATOM 0 HB3 MET A 9 -13.484 -7.754 5.179 1.00 41.35 H new ATOM 0 HG2 MET A 9 -16.166 -7.888 6.592 1.00 51.32 H new ATOM 0 HG3 MET A 9 -14.653 -7.551 7.408 1.00 51.32 H new ATOM 0 HE1 MET A 9 -13.577 -4.097 5.980 1.00 14.52 H new ATOM 0 HE2 MET A 9 -13.284 -5.347 7.213 1.00 14.52 H new ATOM 0 HE3 MET A 9 -13.022 -5.715 5.491 1.00 14.52 H new ATOM 106 N ILE A 10 -13.441 -8.638 2.433 1.00 53.15 N ATOM 107 CA ILE A 10 -12.497 -9.332 1.580 1.00 3.24 C ATOM 108 C ILE A 10 -11.079 -9.209 2.154 1.00 73.01 C ATOM 109 O ILE A 10 -10.674 -8.130 2.610 1.00 63.02 O ATOM 110 CB ILE A 10 -12.603 -8.883 0.069 1.00 2.43 C ATOM 111 CG1 ILE A 10 -12.566 -7.375 -0.125 1.00 2.25 C ATOM 112 CG2 ILE A 10 -13.802 -9.460 -0.618 1.00 12.43 C ATOM 113 CD1 ILE A 10 -11.185 -6.792 -0.209 1.00 30.52 C ATOM 0 H ILE A 10 -13.344 -7.623 2.430 1.00 53.15 H new ATOM 0 HA ILE A 10 -12.755 -10.391 1.572 1.00 3.24 H new ATOM 0 HB ILE A 10 -11.707 -9.290 -0.399 1.00 2.43 H new ATOM 0 HG12 ILE A 10 -13.108 -7.125 -1.037 1.00 2.25 H new ATOM 0 HG13 ILE A 10 -13.097 -6.902 0.701 1.00 2.25 H new ATOM 0 HG21 ILE A 10 -13.827 -9.120 -1.653 1.00 12.43 H new ATOM 0 HG22 ILE A 10 -13.746 -10.548 -0.595 1.00 12.43 H new ATOM 0 HG23 ILE A 10 -14.707 -9.132 -0.107 1.00 12.43 H new ATOM 0 HD11 ILE A 10 -11.253 -5.713 -0.347 1.00 30.52 H new ATOM 0 HD12 ILE A 10 -10.643 -7.006 0.712 1.00 30.52 H new ATOM 0 HD13 ILE A 10 -10.655 -7.233 -1.053 1.00 30.52 H new ATOM 125 N ASN A 11 -10.348 -10.304 2.186 1.00 34.23 N ATOM 126 CA ASN A 11 -9.023 -10.282 2.786 1.00 64.21 C ATOM 127 C ASN A 11 -8.030 -10.001 1.702 1.00 41.45 C ATOM 128 O ASN A 11 -7.753 -10.862 0.861 1.00 41.54 O ATOM 129 CB ASN A 11 -8.704 -11.619 3.434 1.00 52.21 C ATOM 130 CG ASN A 11 -7.554 -11.556 4.423 1.00 53.41 C ATOM 131 OD1 ASN A 11 -6.348 -11.702 3.955 1.00 3.21 O flip ATOM 132 ND2 ASN A 11 -7.769 -11.361 5.618 1.00 60.00 N flip ATOM 0 H ASN A 11 -10.639 -11.207 1.812 1.00 34.23 H new ATOM 0 HA ASN A 11 -8.982 -9.513 3.558 1.00 64.21 H new ATOM 0 HB2 ASN A 11 -9.593 -11.986 3.946 1.00 52.21 H new ATOM 0 HB3 ASN A 11 -8.463 -12.343 2.655 1.00 52.21 H new ATOM 0 HD21 ASN A 11 -8.726 -11.251 5.953 1.00 60.00 H new ATOM 0 HD22 ASN A 11 -6.990 -11.310 6.275 1.00 60.00 H new ATOM 139 N LEU A 12 -7.496 -8.829 1.709 1.00 33.12 N ATOM 140 CA LEU A 12 -6.656 -8.407 0.642 1.00 3.54 C ATOM 141 C LEU A 12 -5.217 -8.252 1.070 1.00 32.45 C ATOM 142 O LEU A 12 -4.910 -7.659 2.107 1.00 74.32 O ATOM 143 CB LEU A 12 -7.208 -7.100 0.066 1.00 71.44 C ATOM 144 CG LEU A 12 -6.362 -6.375 -0.977 1.00 61.25 C ATOM 145 CD1 LEU A 12 -6.077 -7.235 -2.187 1.00 2.55 C ATOM 146 CD2 LEU A 12 -7.026 -5.083 -1.371 1.00 41.53 C ATOM 0 H LEU A 12 -7.628 -8.140 2.449 1.00 33.12 H new ATOM 0 HA LEU A 12 -6.659 -9.179 -0.128 1.00 3.54 H new ATOM 0 HB2 LEU A 12 -8.180 -7.313 -0.379 1.00 71.44 H new ATOM 0 HB3 LEU A 12 -7.380 -6.414 0.895 1.00 71.44 H new ATOM 0 HG LEU A 12 -5.396 -6.153 -0.524 1.00 61.25 H new ATOM 0 HD11 LEU A 12 -5.472 -6.673 -2.899 1.00 2.55 H new ATOM 0 HD12 LEU A 12 -5.536 -8.130 -1.878 1.00 2.55 H new ATOM 0 HD13 LEU A 12 -7.017 -7.523 -2.658 1.00 2.55 H new ATOM 0 HD21 LEU A 12 -6.415 -4.572 -2.116 1.00 41.53 H new ATOM 0 HD22 LEU A 12 -8.010 -5.293 -1.791 1.00 41.53 H new ATOM 0 HD23 LEU A 12 -7.134 -4.447 -0.493 1.00 41.53 H new ATOM 158 N ARG A 13 -4.345 -8.801 0.279 1.00 54.03 N ATOM 159 CA ARG A 13 -2.961 -8.641 0.482 1.00 54.20 C ATOM 160 C ARG A 13 -2.423 -7.697 -0.594 1.00 24.04 C ATOM 161 O ARG A 13 -2.515 -7.967 -1.789 1.00 64.42 O ATOM 162 CB ARG A 13 -2.293 -10.028 0.463 1.00 52.23 C ATOM 163 CG ARG A 13 -0.817 -10.045 0.799 1.00 44.13 C ATOM 164 CD ARG A 13 -0.391 -11.438 1.263 1.00 63.40 C ATOM 165 NE ARG A 13 -0.601 -12.503 0.257 1.00 71.22 N ATOM 166 CZ ARG A 13 -1.211 -13.694 0.505 1.00 5.24 C ATOM 167 NH1 ARG A 13 -1.863 -13.907 1.651 1.00 53.14 N ATOM 168 NH2 ARG A 13 -1.201 -14.643 -0.421 1.00 72.53 N ATOM 0 H ARG A 13 -4.589 -9.375 -0.528 1.00 54.03 H new ATOM 0 HA ARG A 13 -2.739 -8.194 1.451 1.00 54.20 H new ATOM 0 HB2 ARG A 13 -2.816 -10.674 1.169 1.00 52.23 H new ATOM 0 HB3 ARG A 13 -2.427 -10.463 -0.527 1.00 52.23 H new ATOM 0 HG2 ARG A 13 -0.235 -9.752 -0.075 1.00 44.13 H new ATOM 0 HG3 ARG A 13 -0.607 -9.315 1.580 1.00 44.13 H new ATOM 0 HD2 ARG A 13 0.665 -11.412 1.533 1.00 63.40 H new ATOM 0 HD3 ARG A 13 -0.945 -11.693 2.167 1.00 63.40 H new ATOM 0 HE ARG A 13 -0.264 -12.332 -0.691 1.00 71.22 H new ATOM 0 HH11 ARG A 13 -1.909 -13.171 2.356 1.00 53.14 H new ATOM 0 HH12 ARG A 13 -2.315 -14.805 1.821 1.00 53.14 H new ATOM 0 HH21 ARG A 13 -0.737 -14.479 -1.315 1.00 72.53 H new ATOM 0 HH22 ARG A 13 -1.657 -15.537 -0.240 1.00 72.53 H new ATOM 182 N LEU A 14 -1.873 -6.614 -0.136 1.00 21.45 N ATOM 183 CA LEU A 14 -1.342 -5.536 -0.966 1.00 14.30 C ATOM 184 C LEU A 14 0.164 -5.671 -1.092 1.00 2.32 C ATOM 185 O LEU A 14 0.870 -5.775 -0.078 1.00 20.23 O ATOM 186 CB LEU A 14 -1.688 -4.113 -0.349 1.00 74.01 C ATOM 187 CG LEU A 14 -3.166 -3.676 -0.287 1.00 40.41 C ATOM 188 CD1 LEU A 14 -3.798 -3.611 -1.657 1.00 70.25 C ATOM 189 CD2 LEU A 14 -3.991 -4.534 0.646 1.00 63.31 C ATOM 0 H LEU A 14 -1.770 -6.434 0.863 1.00 21.45 H new ATOM 0 HA LEU A 14 -1.805 -5.613 -1.950 1.00 14.30 H new ATOM 0 HB2 LEU A 14 -1.292 -4.087 0.666 1.00 74.01 H new ATOM 0 HB3 LEU A 14 -1.144 -3.362 -0.922 1.00 74.01 H new ATOM 0 HG LEU A 14 -3.159 -2.667 0.126 1.00 40.41 H new ATOM 0 HD11 LEU A 14 -4.838 -3.299 -1.563 1.00 70.25 H new ATOM 0 HD12 LEU A 14 -3.258 -2.892 -2.273 1.00 70.25 H new ATOM 0 HD13 LEU A 14 -3.755 -4.595 -2.125 1.00 70.25 H new ATOM 0 HD21 LEU A 14 -5.022 -4.180 0.649 1.00 63.31 H new ATOM 0 HD22 LEU A 14 -3.964 -5.570 0.307 1.00 63.31 H new ATOM 0 HD23 LEU A 14 -3.583 -4.471 1.655 1.00 63.31 H new ATOM 201 N ILE A 15 0.672 -5.706 -2.307 1.00 21.11 N ATOM 202 CA ILE A 15 2.091 -5.752 -2.478 1.00 75.41 C ATOM 203 C ILE A 15 2.578 -4.360 -2.810 1.00 11.30 C ATOM 204 O ILE A 15 2.182 -3.783 -3.837 1.00 3.53 O ATOM 205 CB ILE A 15 2.523 -6.735 -3.583 1.00 75.52 C ATOM 206 CG1 ILE A 15 1.877 -8.114 -3.339 1.00 52.34 C ATOM 207 CG2 ILE A 15 4.052 -6.839 -3.600 1.00 21.12 C ATOM 208 CD1 ILE A 15 2.281 -9.178 -4.335 1.00 1.40 C ATOM 0 H ILE A 15 0.127 -5.703 -3.169 1.00 21.11 H new ATOM 0 HA ILE A 15 2.534 -6.110 -1.549 1.00 75.41 H new ATOM 0 HB ILE A 15 2.188 -6.371 -4.554 1.00 75.52 H new ATOM 0 HG12 ILE A 15 2.140 -8.453 -2.337 1.00 52.34 H new ATOM 0 HG13 ILE A 15 0.793 -8.003 -3.364 1.00 52.34 H new ATOM 0 HG21 ILE A 15 4.361 -7.534 -4.381 1.00 21.12 H new ATOM 0 HG22 ILE A 15 4.481 -5.857 -3.798 1.00 21.12 H new ATOM 0 HG23 ILE A 15 4.403 -7.200 -2.633 1.00 21.12 H new ATOM 0 HD11 ILE A 15 1.781 -10.115 -4.089 1.00 1.40 H new ATOM 0 HD12 ILE A 15 1.993 -8.865 -5.339 1.00 1.40 H new ATOM 0 HD13 ILE A 15 3.361 -9.322 -4.296 1.00 1.40 H new ATOM 220 N LEU A 16 3.407 -3.816 -1.947 1.00 63.44 N ATOM 221 CA LEU A 16 3.904 -2.461 -2.120 1.00 43.24 C ATOM 222 C LEU A 16 4.955 -2.385 -3.200 1.00 32.04 C ATOM 223 O LEU A 16 5.577 -3.393 -3.560 1.00 64.43 O ATOM 224 CB LEU A 16 4.518 -1.916 -0.829 1.00 34.21 C ATOM 225 CG LEU A 16 3.628 -1.833 0.395 1.00 14.15 C ATOM 226 CD1 LEU A 16 4.383 -1.180 1.538 1.00 44.24 C ATOM 227 CD2 LEU A 16 2.352 -1.077 0.089 1.00 11.22 C ATOM 0 H LEU A 16 3.755 -4.290 -1.114 1.00 63.44 H new ATOM 0 HA LEU A 16 3.040 -1.860 -2.403 1.00 43.24 H new ATOM 0 HB2 LEU A 16 5.377 -2.538 -0.577 1.00 34.21 H new ATOM 0 HB3 LEU A 16 4.899 -0.916 -1.035 1.00 34.21 H new ATOM 0 HG LEU A 16 3.348 -2.844 0.691 1.00 14.15 H new ATOM 0 HD11 LEU A 16 3.738 -1.123 2.415 1.00 44.24 H new ATOM 0 HD12 LEU A 16 5.267 -1.772 1.775 1.00 44.24 H new ATOM 0 HD13 LEU A 16 4.687 -0.175 1.246 1.00 44.24 H new ATOM 0 HD21 LEU A 16 1.732 -1.032 0.984 1.00 11.22 H new ATOM 0 HD22 LEU A 16 2.597 -0.065 -0.234 1.00 11.22 H new ATOM 0 HD23 LEU A 16 1.807 -1.589 -0.704 1.00 11.22 H new ATOM 239 N VAL A 17 5.195 -1.172 -3.678 1.00 13.03 N ATOM 240 CA VAL A 17 6.236 -0.902 -4.668 1.00 64.31 C ATOM 241 C VAL A 17 7.622 -1.106 -4.048 1.00 4.42 C ATOM 242 O VAL A 17 8.617 -1.226 -4.745 1.00 14.35 O ATOM 243 CB VAL A 17 6.124 0.534 -5.251 1.00 61.43 C ATOM 244 CG1 VAL A 17 4.805 0.710 -5.981 1.00 42.13 C ATOM 245 CG2 VAL A 17 6.271 1.593 -4.159 1.00 71.35 C ATOM 0 H VAL A 17 4.674 -0.343 -3.391 1.00 13.03 H new ATOM 0 HA VAL A 17 6.096 -1.606 -5.488 1.00 64.31 H new ATOM 0 HB VAL A 17 6.941 0.668 -5.960 1.00 61.43 H new ATOM 0 HG11 VAL A 17 4.744 1.721 -6.383 1.00 42.13 H new ATOM 0 HG12 VAL A 17 4.742 -0.009 -6.798 1.00 42.13 H new ATOM 0 HG13 VAL A 17 3.980 0.544 -5.288 1.00 42.13 H new ATOM 0 HG21 VAL A 17 6.188 2.586 -4.601 1.00 71.35 H new ATOM 0 HG22 VAL A 17 5.485 1.460 -3.415 1.00 71.35 H new ATOM 0 HG23 VAL A 17 7.245 1.490 -3.681 1.00 71.35 H new ATOM 255 N SER A 18 7.652 -1.152 -2.728 1.00 61.30 N ATOM 256 CA SER A 18 8.859 -1.399 -1.975 1.00 41.32 C ATOM 257 C SER A 18 9.198 -2.900 -2.035 1.00 3.14 C ATOM 258 O SER A 18 10.301 -3.319 -1.708 1.00 11.23 O ATOM 259 CB SER A 18 8.596 -0.985 -0.535 1.00 3.43 C ATOM 260 OG SER A 18 7.998 0.304 -0.500 1.00 55.31 O ATOM 0 H SER A 18 6.826 -1.017 -2.146 1.00 61.30 H new ATOM 0 HA SER A 18 9.697 -0.835 -2.385 1.00 41.32 H new ATOM 0 HB2 SER A 18 7.942 -1.711 -0.053 1.00 3.43 H new ATOM 0 HB3 SER A 18 9.531 -0.976 0.026 1.00 3.43 H new ATOM 0 HG SER A 18 7.831 0.562 0.431 1.00 55.31 H new ATOM 266 N GLY A 19 8.226 -3.697 -2.462 1.00 43.25 N ATOM 267 CA GLY A 19 8.410 -5.128 -2.555 1.00 0.24 C ATOM 268 C GLY A 19 7.965 -5.836 -1.309 1.00 53.04 C ATOM 269 O GLY A 19 8.081 -7.057 -1.199 1.00 2.42 O ATOM 0 H GLY A 19 7.303 -3.370 -2.748 1.00 43.25 H new ATOM 0 HA2 GLY A 19 7.850 -5.510 -3.408 1.00 0.24 H new ATOM 0 HA3 GLY A 19 9.462 -5.347 -2.740 1.00 0.24 H new ATOM 273 N LYS A 20 7.458 -5.081 -0.370 1.00 32.21 N ATOM 274 CA LYS A 20 6.981 -5.642 0.866 1.00 1.24 C ATOM 275 C LYS A 20 5.526 -6.005 0.686 1.00 31.20 C ATOM 276 O LYS A 20 4.744 -5.209 0.147 1.00 31.00 O ATOM 277 CB LYS A 20 7.125 -4.630 2.012 1.00 73.44 C ATOM 278 CG LYS A 20 8.529 -4.037 2.164 1.00 51.14 C ATOM 279 CD LYS A 20 9.645 -5.078 2.403 1.00 54.33 C ATOM 280 CE LYS A 20 9.634 -5.736 3.801 1.00 75.11 C ATOM 281 NZ LYS A 20 8.476 -6.631 4.066 1.00 21.15 N ATOM 0 H LYS A 20 7.365 -4.068 -0.439 1.00 32.21 H new ATOM 0 HA LYS A 20 7.568 -6.525 1.119 1.00 1.24 H new ATOM 0 HB2 LYS A 20 6.416 -3.817 1.853 1.00 73.44 H new ATOM 0 HB3 LYS A 20 6.847 -5.117 2.947 1.00 73.44 H new ATOM 0 HG2 LYS A 20 8.768 -3.468 1.266 1.00 51.14 H new ATOM 0 HG3 LYS A 20 8.523 -3.332 2.996 1.00 51.14 H new ATOM 0 HD2 LYS A 20 9.559 -5.860 1.649 1.00 54.33 H new ATOM 0 HD3 LYS A 20 10.610 -4.595 2.253 1.00 54.33 H new ATOM 0 HE2 LYS A 20 10.553 -6.310 3.923 1.00 75.11 H new ATOM 0 HE3 LYS A 20 9.647 -4.950 4.556 1.00 75.11 H new ATOM 0 HZ1 LYS A 20 8.796 -7.463 4.602 1.00 21.15 H new ATOM 0 HZ2 LYS A 20 7.760 -6.117 4.618 1.00 21.15 H new ATOM 0 HZ3 LYS A 20 8.062 -6.940 3.163 1.00 21.15 H new ATOM 295 N THR A 21 5.165 -7.177 1.098 1.00 4.24 N ATOM 296 CA THR A 21 3.819 -7.612 0.972 1.00 42.21 C ATOM 297 C THR A 21 3.111 -7.413 2.303 1.00 61.24 C ATOM 298 O THR A 21 3.627 -7.799 3.365 1.00 50.14 O ATOM 299 CB THR A 21 3.748 -9.093 0.530 1.00 41.52 C ATOM 300 OG1 THR A 21 4.428 -9.922 1.477 1.00 63.15 O ATOM 301 CG2 THR A 21 4.396 -9.289 -0.831 1.00 52.22 C ATOM 0 H THR A 21 5.794 -7.854 1.529 1.00 4.24 H new ATOM 0 HA THR A 21 3.323 -7.021 0.202 1.00 42.21 H new ATOM 0 HB THR A 21 2.695 -9.369 0.472 1.00 41.52 H new ATOM 0 HG1 THR A 21 4.512 -9.444 2.329 1.00 63.15 H new ATOM 0 HG21 THR A 21 4.332 -10.339 -1.117 1.00 52.22 H new ATOM 0 HG22 THR A 21 3.879 -8.679 -1.572 1.00 52.22 H new ATOM 0 HG23 THR A 21 5.443 -8.990 -0.782 1.00 52.22 H new ATOM 309 N LYS A 22 1.971 -6.789 2.269 1.00 32.32 N ATOM 310 CA LYS A 22 1.240 -6.497 3.484 1.00 40.20 C ATOM 311 C LYS A 22 -0.172 -7.000 3.331 1.00 51.54 C ATOM 312 O LYS A 22 -0.687 -7.023 2.229 1.00 30.05 O ATOM 313 CB LYS A 22 1.232 -4.990 3.733 1.00 10.44 C ATOM 314 CG LYS A 22 2.613 -4.345 3.654 1.00 42.30 C ATOM 315 CD LYS A 22 2.572 -2.884 4.043 1.00 3.35 C ATOM 316 CE LYS A 22 2.326 -2.720 5.522 1.00 71.44 C ATOM 317 NZ LYS A 22 3.453 -3.256 6.297 1.00 4.43 N ATOM 0 H LYS A 22 1.519 -6.468 1.413 1.00 32.32 H new ATOM 0 HA LYS A 22 1.717 -6.989 4.332 1.00 40.20 H new ATOM 0 HB2 LYS A 22 0.577 -4.514 3.003 1.00 10.44 H new ATOM 0 HB3 LYS A 22 0.807 -4.796 4.718 1.00 10.44 H new ATOM 0 HG2 LYS A 22 3.301 -4.877 4.311 1.00 42.30 H new ATOM 0 HG3 LYS A 22 3.002 -4.441 2.640 1.00 42.30 H new ATOM 0 HD2 LYS A 22 3.514 -2.407 3.773 1.00 3.35 H new ATOM 0 HD3 LYS A 22 1.786 -2.378 3.483 1.00 3.35 H new ATOM 0 HE2 LYS A 22 2.185 -1.665 5.758 1.00 71.44 H new ATOM 0 HE3 LYS A 22 1.407 -3.235 5.803 1.00 71.44 H new ATOM 0 HZ1 LYS A 22 3.441 -2.849 7.254 1.00 4.43 H new ATOM 0 HZ2 LYS A 22 3.370 -4.291 6.360 1.00 4.43 H new ATOM 0 HZ3 LYS A 22 4.347 -3.009 5.826 1.00 4.43 H new ATOM 331 N GLU A 23 -0.800 -7.400 4.399 1.00 34.23 N ATOM 332 CA GLU A 23 -2.135 -7.932 4.279 1.00 45.31 C ATOM 333 C GLU A 23 -3.011 -7.368 5.374 1.00 2.21 C ATOM 334 O GLU A 23 -2.624 -7.372 6.556 1.00 51.22 O ATOM 335 CB GLU A 23 -2.098 -9.438 4.384 1.00 3.22 C ATOM 336 CG GLU A 23 -3.348 -10.126 3.938 1.00 44.23 C ATOM 337 CD GLU A 23 -3.296 -11.573 4.277 1.00 42.35 C ATOM 338 OE1 GLU A 23 -2.552 -12.316 3.628 1.00 32.52 O ATOM 339 OE2 GLU A 23 -3.981 -11.986 5.240 1.00 11.40 O ATOM 0 H GLU A 23 -0.423 -7.371 5.346 1.00 34.23 H new ATOM 0 HA GLU A 23 -2.545 -7.650 3.309 1.00 45.31 H new ATOM 0 HB2 GLU A 23 -1.263 -9.810 3.790 1.00 3.22 H new ATOM 0 HB3 GLU A 23 -1.899 -9.712 5.420 1.00 3.22 H new ATOM 0 HG2 GLU A 23 -4.213 -9.666 4.415 1.00 44.23 H new ATOM 0 HG3 GLU A 23 -3.474 -10.003 2.862 1.00 44.23 H new ATOM 346 N PHE A 24 -4.170 -6.886 4.986 1.00 65.31 N ATOM 347 CA PHE A 24 -5.137 -6.293 5.887 1.00 74.42 C ATOM 348 C PHE A 24 -6.532 -6.639 5.405 1.00 4.22 C ATOM 349 O PHE A 24 -6.722 -6.995 4.235 1.00 33.34 O ATOM 350 CB PHE A 24 -4.984 -4.763 5.955 1.00 23.41 C ATOM 351 CG PHE A 24 -3.674 -4.259 6.502 1.00 33.44 C ATOM 352 CD1 PHE A 24 -3.502 -4.075 7.858 1.00 64.01 C ATOM 353 CD2 PHE A 24 -2.621 -3.962 5.655 1.00 14.03 C ATOM 354 CE1 PHE A 24 -2.308 -3.605 8.366 1.00 70.30 C ATOM 355 CE2 PHE A 24 -1.423 -3.493 6.151 1.00 52.41 C ATOM 356 CZ PHE A 24 -1.265 -3.313 7.509 1.00 23.20 C ATOM 0 H PHE A 24 -4.475 -6.895 4.013 1.00 65.31 H new ATOM 0 HA PHE A 24 -4.966 -6.691 6.887 1.00 74.42 H new ATOM 0 HB2 PHE A 24 -5.117 -4.359 4.952 1.00 23.41 H new ATOM 0 HB3 PHE A 24 -5.791 -4.363 6.569 1.00 23.41 H new ATOM 0 HD1 PHE A 24 -4.314 -4.302 8.533 1.00 64.01 H new ATOM 0 HD2 PHE A 24 -2.739 -4.099 4.590 1.00 14.03 H new ATOM 0 HE1 PHE A 24 -2.190 -3.466 9.430 1.00 70.30 H new ATOM 0 HE2 PHE A 24 -0.610 -3.267 5.477 1.00 52.41 H new ATOM 0 HZ PHE A 24 -0.329 -2.945 7.901 1.00 23.20 H new ATOM 366 N LEU A 25 -7.496 -6.562 6.277 1.00 12.21 N ATOM 367 CA LEU A 25 -8.852 -6.843 5.893 1.00 1.21 C ATOM 368 C LEU A 25 -9.499 -5.551 5.412 1.00 50.11 C ATOM 369 O LEU A 25 -9.435 -4.526 6.102 1.00 53.05 O ATOM 370 CB LEU A 25 -9.634 -7.394 7.080 1.00 13.52 C ATOM 371 CG LEU A 25 -11.021 -7.942 6.776 1.00 0.42 C ATOM 372 CD1 LEU A 25 -10.935 -9.147 5.853 1.00 12.43 C ATOM 373 CD2 LEU A 25 -11.735 -8.299 8.055 1.00 54.25 C ATOM 0 H LEU A 25 -7.370 -6.308 7.257 1.00 12.21 H new ATOM 0 HA LEU A 25 -8.858 -7.587 5.097 1.00 1.21 H new ATOM 0 HB2 LEU A 25 -9.045 -8.188 7.539 1.00 13.52 H new ATOM 0 HB3 LEU A 25 -9.734 -6.602 7.822 1.00 13.52 H new ATOM 0 HG LEU A 25 -11.593 -7.167 6.266 1.00 0.42 H new ATOM 0 HD11 LEU A 25 -11.938 -9.522 5.650 1.00 12.43 H new ATOM 0 HD12 LEU A 25 -10.460 -8.855 4.917 1.00 12.43 H new ATOM 0 HD13 LEU A 25 -10.345 -9.930 6.330 1.00 12.43 H new ATOM 0 HD21 LEU A 25 -12.726 -8.690 7.822 1.00 54.25 H new ATOM 0 HD22 LEU A 25 -11.163 -9.056 8.592 1.00 54.25 H new ATOM 0 HD23 LEU A 25 -11.833 -7.410 8.677 1.00 54.25 H new ATOM 385 N PHE A 26 -10.092 -5.587 4.244 1.00 1.13 N ATOM 386 CA PHE A 26 -10.754 -4.425 3.683 1.00 32.34 C ATOM 387 C PHE A 26 -12.127 -4.807 3.176 1.00 1.33 C ATOM 388 O PHE A 26 -12.498 -5.992 3.177 1.00 71.30 O ATOM 389 CB PHE A 26 -9.925 -3.784 2.550 1.00 3.40 C ATOM 390 CG PHE A 26 -8.620 -3.160 2.987 1.00 22.13 C ATOM 391 CD1 PHE A 26 -8.598 -1.879 3.516 1.00 2.11 C ATOM 392 CD2 PHE A 26 -7.419 -3.842 2.861 1.00 21.43 C ATOM 393 CE1 PHE A 26 -7.411 -1.293 3.909 1.00 12.12 C ATOM 394 CE2 PHE A 26 -6.236 -3.261 3.248 1.00 35.24 C ATOM 395 CZ PHE A 26 -6.227 -1.986 3.776 1.00 30.35 C ATOM 0 H PHE A 26 -10.132 -6.418 3.654 1.00 1.13 H new ATOM 0 HA PHE A 26 -10.854 -3.683 4.476 1.00 32.34 H new ATOM 0 HB2 PHE A 26 -9.713 -4.546 1.800 1.00 3.40 H new ATOM 0 HB3 PHE A 26 -10.531 -3.019 2.065 1.00 3.40 H new ATOM 0 HD1 PHE A 26 -9.523 -1.331 3.622 1.00 2.11 H new ATOM 0 HD2 PHE A 26 -7.414 -4.842 2.454 1.00 21.43 H new ATOM 0 HE1 PHE A 26 -7.410 -0.294 4.320 1.00 12.12 H new ATOM 0 HE2 PHE A 26 -5.309 -3.804 3.139 1.00 35.24 H new ATOM 0 HZ PHE A 26 -5.296 -1.533 4.084 1.00 30.35 H new ATOM 405 N SER A 27 -12.885 -3.845 2.756 1.00 73.14 N ATOM 406 CA SER A 27 -14.188 -4.120 2.260 1.00 52.44 C ATOM 407 C SER A 27 -14.125 -4.152 0.751 1.00 2.15 C ATOM 408 O SER A 27 -13.287 -3.481 0.152 1.00 13.21 O ATOM 409 CB SER A 27 -15.209 -3.068 2.754 1.00 34.11 C ATOM 410 OG SER A 27 -14.885 -1.757 2.314 1.00 63.43 O ATOM 0 H SER A 27 -12.620 -2.860 2.748 1.00 73.14 H new ATOM 0 HA SER A 27 -14.526 -5.086 2.635 1.00 52.44 H new ATOM 0 HB2 SER A 27 -16.204 -3.334 2.396 1.00 34.11 H new ATOM 0 HB3 SER A 27 -15.247 -3.085 3.843 1.00 34.11 H new ATOM 0 HG SER A 27 -13.927 -1.596 2.442 1.00 63.43 H new ATOM 416 N PRO A 28 -14.987 -4.935 0.095 1.00 31.34 N ATOM 417 CA PRO A 28 -15.036 -4.990 -1.369 1.00 55.00 C ATOM 418 C PRO A 28 -15.414 -3.618 -1.990 1.00 75.02 C ATOM 419 O PRO A 28 -15.286 -3.411 -3.207 1.00 34.51 O ATOM 420 CB PRO A 28 -16.092 -6.071 -1.646 1.00 33.02 C ATOM 421 CG PRO A 28 -16.913 -6.119 -0.409 1.00 4.25 C ATOM 422 CD PRO A 28 -15.957 -5.861 0.709 1.00 44.04 C ATOM 0 HA PRO A 28 -14.071 -5.224 -1.819 1.00 55.00 H new ATOM 0 HB2 PRO A 28 -16.699 -5.818 -2.515 1.00 33.02 H new ATOM 0 HB3 PRO A 28 -15.628 -7.036 -1.851 1.00 33.02 H new ATOM 0 HG2 PRO A 28 -17.703 -5.368 -0.432 1.00 4.25 H new ATOM 0 HG3 PRO A 28 -17.398 -7.089 -0.296 1.00 4.25 H new ATOM 0 HD2 PRO A 28 -16.453 -5.416 1.572 1.00 44.04 H new ATOM 0 HD3 PRO A 28 -15.480 -6.778 1.054 1.00 44.04 H new ATOM 430 N ASN A 29 -15.859 -2.699 -1.120 1.00 41.44 N ATOM 431 CA ASN A 29 -16.217 -1.327 -1.481 1.00 31.24 C ATOM 432 C ASN A 29 -14.969 -0.443 -1.615 1.00 14.23 C ATOM 433 O ASN A 29 -14.998 0.583 -2.297 1.00 3.11 O ATOM 434 CB ASN A 29 -17.177 -0.734 -0.415 1.00 64.12 C ATOM 435 CG ASN A 29 -17.521 0.746 -0.636 1.00 14.40 C ATOM 436 OD1 ASN A 29 -18.463 1.074 -1.360 1.00 54.14 O ATOM 437 ND2 ASN A 29 -16.795 1.638 0.016 1.00 73.05 N ATOM 0 H ASN A 29 -15.981 -2.897 -0.127 1.00 41.44 H new ATOM 0 HA ASN A 29 -16.719 -1.350 -2.448 1.00 31.24 H new ATOM 0 HB2 ASN A 29 -18.100 -1.314 -0.410 1.00 64.12 H new ATOM 0 HB3 ASN A 29 -16.724 -0.848 0.570 1.00 64.12 H new ATOM 0 HD21 ASN A 29 -17.008 2.632 -0.072 1.00 73.05 H new ATOM 0 HD22 ASN A 29 -16.022 1.333 0.607 1.00 73.05 H new ATOM 444 N ASP A 30 -13.879 -0.852 -0.981 1.00 41.04 N ATOM 445 CA ASP A 30 -12.632 -0.074 -1.008 1.00 1.23 C ATOM 446 C ASP A 30 -12.002 -0.041 -2.391 1.00 42.22 C ATOM 447 O ASP A 30 -12.215 -0.944 -3.209 1.00 52.24 O ATOM 448 CB ASP A 30 -11.608 -0.570 0.035 1.00 72.44 C ATOM 449 CG ASP A 30 -12.003 -0.276 1.458 1.00 42.25 C ATOM 450 OD1 ASP A 30 -11.942 0.902 1.859 1.00 72.14 O ATOM 451 OD2 ASP A 30 -12.396 -1.201 2.199 1.00 70.15 O ATOM 0 H ASP A 30 -13.825 -1.715 -0.441 1.00 41.04 H new ATOM 0 HA ASP A 30 -12.914 0.945 -0.743 1.00 1.23 H new ATOM 0 HB2 ASP A 30 -11.476 -1.646 -0.081 1.00 72.44 H new ATOM 0 HB3 ASP A 30 -10.642 -0.107 -0.168 1.00 72.44 H new ATOM 456 N SER A 31 -11.246 1.001 -2.664 1.00 60.32 N ATOM 457 CA SER A 31 -10.582 1.128 -3.924 1.00 74.11 C ATOM 458 C SER A 31 -9.106 0.717 -3.772 1.00 21.42 C ATOM 459 O SER A 31 -8.357 1.331 -3.008 1.00 21.32 O ATOM 460 CB SER A 31 -10.755 2.560 -4.445 1.00 61.43 C ATOM 461 OG SER A 31 -10.310 3.512 -3.483 1.00 34.13 O ATOM 0 H SER A 31 -11.081 1.773 -2.018 1.00 60.32 H new ATOM 0 HA SER A 31 -11.023 0.460 -4.664 1.00 74.11 H new ATOM 0 HB2 SER A 31 -10.193 2.684 -5.371 1.00 61.43 H new ATOM 0 HB3 SER A 31 -11.804 2.740 -4.682 1.00 61.43 H new ATOM 0 HG SER A 31 -10.429 4.417 -3.839 1.00 34.13 H new ATOM 467 N ALA A 32 -8.724 -0.316 -4.510 1.00 70.12 N ATOM 468 CA ALA A 32 -7.402 -0.987 -4.437 1.00 13.41 C ATOM 469 C ALA A 32 -6.186 -0.040 -4.405 1.00 25.13 C ATOM 470 O ALA A 32 -5.325 -0.167 -3.532 1.00 70.13 O ATOM 471 CB ALA A 32 -7.282 -1.901 -5.617 1.00 2.30 C ATOM 0 H ALA A 32 -9.338 -0.737 -5.207 1.00 70.12 H new ATOM 0 HA ALA A 32 -7.377 -1.518 -3.486 1.00 13.41 H new ATOM 0 HB1 ALA A 32 -6.317 -2.408 -5.588 1.00 2.30 H new ATOM 0 HB2 ALA A 32 -8.082 -2.641 -5.587 1.00 2.30 H new ATOM 0 HB3 ALA A 32 -7.359 -1.320 -6.536 1.00 2.30 H new ATOM 477 N SER A 33 -6.109 0.891 -5.329 1.00 31.02 N ATOM 478 CA SER A 33 -4.945 1.758 -5.418 1.00 32.20 C ATOM 479 C SER A 33 -4.903 2.775 -4.259 1.00 25.14 C ATOM 480 O SER A 33 -3.827 3.241 -3.867 1.00 70.34 O ATOM 481 CB SER A 33 -4.896 2.437 -6.779 1.00 52.35 C ATOM 482 OG SER A 33 -4.992 1.467 -7.814 1.00 3.12 O ATOM 0 H SER A 33 -6.831 1.070 -6.027 1.00 31.02 H new ATOM 0 HA SER A 33 -4.050 1.143 -5.319 1.00 32.20 H new ATOM 0 HB2 SER A 33 -5.712 3.154 -6.866 1.00 52.35 H new ATOM 0 HB3 SER A 33 -3.967 2.998 -6.881 1.00 52.35 H new ATOM 0 HG SER A 33 -4.099 1.123 -8.024 1.00 3.12 H new ATOM 488 N ASP A 34 -6.074 3.103 -3.710 1.00 73.40 N ATOM 489 CA ASP A 34 -6.147 3.960 -2.511 1.00 42.02 C ATOM 490 C ASP A 34 -5.604 3.171 -1.349 1.00 21.51 C ATOM 491 O ASP A 34 -4.854 3.674 -0.505 1.00 11.33 O ATOM 492 CB ASP A 34 -7.590 4.350 -2.186 1.00 33.23 C ATOM 493 CG ASP A 34 -7.687 5.283 -0.987 1.00 64.31 C ATOM 494 OD1 ASP A 34 -7.523 6.507 -1.155 1.00 33.14 O ATOM 495 OD2 ASP A 34 -7.971 4.807 0.137 1.00 22.02 O ATOM 0 H ASP A 34 -6.979 2.796 -4.067 1.00 73.40 H new ATOM 0 HA ASP A 34 -5.576 4.870 -2.695 1.00 42.02 H new ATOM 0 HB2 ASP A 34 -8.037 4.833 -3.055 1.00 33.23 H new ATOM 0 HB3 ASP A 34 -8.171 3.449 -1.989 1.00 33.23 H new ATOM 500 N ILE A 35 -5.989 1.901 -1.331 1.00 43.13 N ATOM 501 CA ILE A 35 -5.562 0.968 -0.318 1.00 72.42 C ATOM 502 C ILE A 35 -4.050 0.825 -0.341 1.00 64.43 C ATOM 503 O ILE A 35 -3.435 0.756 0.699 1.00 62.13 O ATOM 504 CB ILE A 35 -6.195 -0.421 -0.515 1.00 11.12 C ATOM 505 CG1 ILE A 35 -7.710 -0.362 -0.452 1.00 43.24 C ATOM 506 CG2 ILE A 35 -5.681 -1.375 0.522 1.00 51.34 C ATOM 507 CD1 ILE A 35 -8.356 -1.706 -0.664 1.00 51.11 C ATOM 0 H ILE A 35 -6.612 1.495 -2.029 1.00 43.13 H new ATOM 0 HA ILE A 35 -5.889 1.365 0.643 1.00 72.42 H new ATOM 0 HB ILE A 35 -5.913 -0.773 -1.507 1.00 11.12 H new ATOM 0 HG12 ILE A 35 -8.014 0.033 0.517 1.00 43.24 H new ATOM 0 HG13 ILE A 35 -8.074 0.334 -1.208 1.00 43.24 H new ATOM 0 HG21 ILE A 35 -6.136 -2.354 0.373 1.00 51.34 H new ATOM 0 HG22 ILE A 35 -4.598 -1.460 0.433 1.00 51.34 H new ATOM 0 HG23 ILE A 35 -5.935 -1.005 1.515 1.00 51.34 H new ATOM 0 HD11 ILE A 35 -9.440 -1.602 -0.608 1.00 51.11 H new ATOM 0 HD12 ILE A 35 -8.079 -2.092 -1.645 1.00 51.11 H new ATOM 0 HD13 ILE A 35 -8.018 -2.398 0.107 1.00 51.11 H new ATOM 519 N ALA A 36 -3.472 0.790 -1.545 1.00 55.34 N ATOM 520 CA ALA A 36 -2.020 0.721 -1.742 1.00 51.00 C ATOM 521 C ALA A 36 -1.308 1.782 -0.922 1.00 2.03 C ATOM 522 O ALA A 36 -0.270 1.532 -0.345 1.00 15.33 O ATOM 523 CB ALA A 36 -1.685 0.923 -3.205 1.00 71.43 C ATOM 0 H ALA A 36 -4.001 0.809 -2.417 1.00 55.34 H new ATOM 0 HA ALA A 36 -1.685 -0.263 -1.415 1.00 51.00 H new ATOM 0 HB1 ALA A 36 -0.605 0.870 -3.342 1.00 71.43 H new ATOM 0 HB2 ALA A 36 -2.164 0.145 -3.799 1.00 71.43 H new ATOM 0 HB3 ALA A 36 -2.044 1.900 -3.529 1.00 71.43 H new ATOM 529 N LYS A 37 -1.884 2.956 -0.887 1.00 11.53 N ATOM 530 CA LYS A 37 -1.360 4.052 -0.115 1.00 63.25 C ATOM 531 C LYS A 37 -1.614 3.801 1.385 1.00 64.41 C ATOM 532 O LYS A 37 -0.739 3.984 2.215 1.00 62.13 O ATOM 533 CB LYS A 37 -2.046 5.333 -0.558 1.00 41.10 C ATOM 534 CG LYS A 37 -1.864 5.701 -2.032 1.00 23.30 C ATOM 535 CD LYS A 37 -0.407 5.947 -2.384 1.00 24.35 C ATOM 536 CE LYS A 37 -0.244 6.386 -3.833 1.00 73.11 C ATOM 537 NZ LYS A 37 -0.994 7.628 -4.119 1.00 73.43 N ATOM 0 H LYS A 37 -2.738 3.180 -1.398 1.00 11.53 H new ATOM 0 HA LYS A 37 -0.285 4.141 -0.274 1.00 63.25 H new ATOM 0 HB2 LYS A 37 -3.113 5.243 -0.353 1.00 41.10 H new ATOM 0 HB3 LYS A 37 -1.672 6.155 0.053 1.00 41.10 H new ATOM 0 HG2 LYS A 37 -2.257 4.899 -2.657 1.00 23.30 H new ATOM 0 HG3 LYS A 37 -2.447 6.594 -2.257 1.00 23.30 H new ATOM 0 HD2 LYS A 37 0.003 6.711 -1.724 1.00 24.35 H new ATOM 0 HD3 LYS A 37 0.167 5.037 -2.213 1.00 24.35 H new ATOM 0 HE2 LYS A 37 0.813 6.542 -4.049 1.00 73.11 H new ATOM 0 HE3 LYS A 37 -0.590 5.592 -4.494 1.00 73.11 H new ATOM 0 HZ1 LYS A 37 -0.777 7.950 -5.084 1.00 73.43 H new ATOM 0 HZ2 LYS A 37 -2.014 7.444 -4.036 1.00 73.43 H new ATOM 0 HZ3 LYS A 37 -0.718 8.364 -3.438 1.00 73.43 H new ATOM 551 N HIS A 38 -2.821 3.345 1.691 1.00 42.42 N ATOM 552 CA HIS A 38 -3.272 3.085 3.069 1.00 61.35 C ATOM 553 C HIS A 38 -2.407 2.000 3.758 1.00 20.22 C ATOM 554 O HIS A 38 -2.105 2.092 4.946 1.00 35.31 O ATOM 555 CB HIS A 38 -4.758 2.661 3.042 1.00 63.12 C ATOM 556 CG HIS A 38 -5.416 2.489 4.388 1.00 72.12 C ATOM 557 ND1 HIS A 38 -6.334 3.379 4.886 1.00 42.22 N ATOM 558 CD2 HIS A 38 -5.317 1.507 5.314 1.00 14.24 C ATOM 559 CE1 HIS A 38 -6.765 2.961 6.054 1.00 53.32 C ATOM 560 NE2 HIS A 38 -6.168 1.831 6.335 1.00 54.54 N ATOM 0 H HIS A 38 -3.530 3.140 0.987 1.00 42.42 H new ATOM 0 HA HIS A 38 -3.161 4.000 3.651 1.00 61.35 H new ATOM 0 HB2 HIS A 38 -5.319 3.406 2.477 1.00 63.12 H new ATOM 0 HB3 HIS A 38 -4.838 1.721 2.497 1.00 63.12 H new ATOM 0 HD2 HIS A 38 -4.685 0.633 5.258 1.00 14.24 H new ATOM 0 HE1 HIS A 38 -7.489 3.465 6.677 1.00 53.32 H new ATOM 0 HE2 HIS A 38 -6.314 1.280 7.181 1.00 54.54 H new ATOM 569 N VAL A 39 -2.053 0.975 3.008 1.00 44.33 N ATOM 570 CA VAL A 39 -1.216 -0.097 3.506 1.00 72.52 C ATOM 571 C VAL A 39 0.239 0.314 3.572 1.00 30.12 C ATOM 572 O VAL A 39 0.973 -0.139 4.441 1.00 13.43 O ATOM 573 CB VAL A 39 -1.375 -1.391 2.685 1.00 55.41 C ATOM 574 CG1 VAL A 39 -2.784 -1.911 2.849 1.00 1.23 C ATOM 575 CG2 VAL A 39 -1.098 -1.139 1.236 1.00 22.33 C ATOM 0 H VAL A 39 -2.338 0.863 2.035 1.00 44.33 H new ATOM 0 HA VAL A 39 -1.557 -0.306 4.520 1.00 72.52 H new ATOM 0 HB VAL A 39 -0.659 -2.129 3.048 1.00 55.41 H new ATOM 0 HG11 VAL A 39 -2.903 -2.827 2.270 1.00 1.23 H new ATOM 0 HG12 VAL A 39 -2.975 -2.119 3.902 1.00 1.23 H new ATOM 0 HG13 VAL A 39 -3.492 -1.162 2.493 1.00 1.23 H new ATOM 0 HG21 VAL A 39 -1.216 -2.067 0.676 1.00 22.33 H new ATOM 0 HG22 VAL A 39 -1.797 -0.394 0.856 1.00 22.33 H new ATOM 0 HG23 VAL A 39 -0.078 -0.772 1.119 1.00 22.33 H new ATOM 585 N TYR A 40 0.630 1.184 2.644 1.00 21.33 N ATOM 586 CA TYR A 40 2.001 1.681 2.524 1.00 42.32 C ATOM 587 C TYR A 40 2.423 2.395 3.816 1.00 53.43 C ATOM 588 O TYR A 40 3.486 2.097 4.371 1.00 74.01 O ATOM 589 CB TYR A 40 2.054 2.647 1.332 1.00 51.31 C ATOM 590 CG TYR A 40 3.420 3.127 0.901 1.00 43.31 C ATOM 591 CD1 TYR A 40 3.988 4.269 1.441 1.00 4.01 C ATOM 592 CD2 TYR A 40 4.123 2.454 -0.087 1.00 32.15 C ATOM 593 CE1 TYR A 40 5.214 4.722 1.007 1.00 73.45 C ATOM 594 CE2 TYR A 40 5.349 2.893 -0.517 1.00 33.14 C ATOM 595 CZ TYR A 40 5.890 4.027 0.027 1.00 72.31 C ATOM 596 OH TYR A 40 7.104 4.479 -0.428 1.00 64.44 O ATOM 0 H TYR A 40 -0.004 1.570 1.944 1.00 21.33 H new ATOM 0 HA TYR A 40 2.690 0.852 2.362 1.00 42.32 H new ATOM 0 HB2 TYR A 40 1.581 2.160 0.479 1.00 51.31 H new ATOM 0 HB3 TYR A 40 1.449 3.520 1.576 1.00 51.31 H new ATOM 0 HD1 TYR A 40 3.462 4.812 2.213 1.00 4.01 H new ATOM 0 HD2 TYR A 40 3.696 1.565 -0.527 1.00 32.15 H new ATOM 0 HE1 TYR A 40 5.644 5.617 1.432 1.00 73.45 H new ATOM 0 HE2 TYR A 40 5.884 2.348 -1.280 1.00 33.14 H new ATOM 0 HH TYR A 40 7.442 3.870 -1.117 1.00 64.44 H new ATOM 870 N LEU A 58 -2.472 6.269 -9.860 1.00 53.20 N ATOM 871 CA LEU A 58 -3.098 5.127 -9.237 1.00 1.32 C ATOM 872 C LEU A 58 -3.376 4.049 -10.248 1.00 31.21 C ATOM 873 O LEU A 58 -4.225 4.215 -11.133 1.00 70.35 O ATOM 874 CB LEU A 58 -4.414 5.480 -8.492 1.00 71.43 C ATOM 875 CG LEU A 58 -4.330 6.397 -7.263 1.00 43.32 C ATOM 876 CD1 LEU A 58 -3.253 5.940 -6.294 1.00 10.24 C ATOM 877 CD2 LEU A 58 -4.199 7.864 -7.638 1.00 43.10 C ATOM 0 HA LEU A 58 -2.385 4.768 -8.494 1.00 1.32 H new ATOM 0 HB2 LEU A 58 -5.088 5.947 -9.210 1.00 71.43 H new ATOM 0 HB3 LEU A 58 -4.880 4.546 -8.179 1.00 71.43 H new ATOM 0 HG LEU A 58 -5.281 6.311 -6.737 1.00 43.32 H new ATOM 0 HD11 LEU A 58 -3.224 6.614 -5.438 1.00 10.24 H new ATOM 0 HD12 LEU A 58 -3.476 4.929 -5.953 1.00 10.24 H new ATOM 0 HD13 LEU A 58 -2.285 5.949 -6.795 1.00 10.24 H new ATOM 0 HD21 LEU A 58 -4.144 8.468 -6.732 1.00 43.10 H new ATOM 0 HD22 LEU A 58 -3.293 8.010 -8.227 1.00 43.10 H new ATOM 0 HD23 LEU A 58 -5.066 8.168 -8.224 1.00 43.10 H new ATOM 889 N ARG A 59 -2.625 2.985 -10.154 1.00 33.22 N ATOM 890 CA ARG A 59 -2.811 1.793 -10.959 1.00 45.33 C ATOM 891 C ARG A 59 -2.832 0.586 -10.057 1.00 63.11 C ATOM 892 O ARG A 59 -2.408 0.660 -8.896 1.00 10.20 O ATOM 893 CB ARG A 59 -1.726 1.621 -12.050 1.00 3.13 C ATOM 894 CG ARG A 59 -1.990 2.313 -13.392 1.00 72.21 C ATOM 895 CD ARG A 59 -2.114 3.806 -13.276 1.00 71.34 C ATOM 896 NE ARG A 59 -2.474 4.423 -14.555 1.00 1.41 N ATOM 897 CZ ARG A 59 -3.585 5.150 -14.764 1.00 35.00 C ATOM 898 NH1 ARG A 59 -4.497 5.287 -13.795 1.00 1.05 N ATOM 899 NH2 ARG A 59 -3.784 5.733 -15.938 1.00 41.14 N ATOM 0 H ARG A 59 -1.845 2.915 -9.501 1.00 33.22 H new ATOM 0 HA ARG A 59 -3.761 1.898 -11.482 1.00 45.33 H new ATOM 0 HB2 ARG A 59 -0.782 1.994 -11.654 1.00 3.13 H new ATOM 0 HB3 ARG A 59 -1.595 0.555 -12.236 1.00 3.13 H new ATOM 0 HG2 ARG A 59 -1.180 2.075 -14.081 1.00 72.21 H new ATOM 0 HG3 ARG A 59 -2.906 1.912 -13.826 1.00 72.21 H new ATOM 0 HD2 ARG A 59 -2.869 4.051 -12.529 1.00 71.34 H new ATOM 0 HD3 ARG A 59 -1.170 4.223 -12.924 1.00 71.34 H new ATOM 0 HE ARG A 59 -1.838 4.292 -15.341 1.00 1.41 H new ATOM 0 HH11 ARG A 59 -4.352 4.838 -12.891 1.00 1.05 H new ATOM 0 HH12 ARG A 59 -5.338 5.840 -13.961 1.00 1.05 H new ATOM 0 HH21 ARG A 59 -3.094 5.630 -16.682 1.00 41.14 H new ATOM 0 HH22 ARG A 59 -4.627 6.285 -16.097 1.00 41.14 H new ATOM 913 N LEU A 60 -3.325 -0.503 -10.561 1.00 11.44 N ATOM 914 CA LEU A 60 -3.404 -1.719 -9.805 1.00 0.43 C ATOM 915 C LEU A 60 -3.251 -2.895 -10.723 1.00 4.35 C ATOM 916 O LEU A 60 -3.691 -2.851 -11.874 1.00 65.32 O ATOM 917 CB LEU A 60 -4.729 -1.769 -8.987 1.00 10.44 C ATOM 918 CG LEU A 60 -6.061 -1.647 -9.766 1.00 72.42 C ATOM 919 CD1 LEU A 60 -6.443 -2.926 -10.498 1.00 31.43 C ATOM 920 CD2 LEU A 60 -7.171 -1.204 -8.863 1.00 4.03 C ATOM 0 H LEU A 60 -3.686 -0.576 -11.512 1.00 11.44 H new ATOM 0 HA LEU A 60 -2.589 -1.756 -9.083 1.00 0.43 H new ATOM 0 HB2 LEU A 60 -4.748 -2.709 -8.436 1.00 10.44 H new ATOM 0 HB3 LEU A 60 -4.698 -0.968 -8.249 1.00 10.44 H new ATOM 0 HG LEU A 60 -5.900 -0.886 -10.530 1.00 72.42 H new ATOM 0 HD11 LEU A 60 -7.386 -2.776 -11.025 1.00 31.43 H new ATOM 0 HD12 LEU A 60 -5.663 -3.181 -11.215 1.00 31.43 H new ATOM 0 HD13 LEU A 60 -6.554 -3.737 -9.779 1.00 31.43 H new ATOM 0 HD21 LEU A 60 -8.096 -1.126 -9.435 1.00 4.03 H new ATOM 0 HD22 LEU A 60 -7.300 -1.931 -8.061 1.00 4.03 H new ATOM 0 HD23 LEU A 60 -6.926 -0.232 -8.435 1.00 4.03 H new ATOM 932 N ILE A 61 -2.616 -3.911 -10.243 1.00 4.32 N ATOM 933 CA ILE A 61 -2.428 -5.106 -10.991 1.00 75.14 C ATOM 934 C ILE A 61 -3.117 -6.239 -10.276 1.00 12.44 C ATOM 935 O ILE A 61 -2.774 -6.577 -9.127 1.00 42.20 O ATOM 936 CB ILE A 61 -0.932 -5.430 -11.139 1.00 10.10 C ATOM 937 CG1 ILE A 61 -0.225 -4.313 -11.883 1.00 41.21 C ATOM 938 CG2 ILE A 61 -0.726 -6.763 -11.855 1.00 4.14 C ATOM 939 CD1 ILE A 61 1.277 -4.471 -11.954 1.00 23.31 C ATOM 0 H ILE A 61 -2.208 -3.934 -9.308 1.00 4.32 H new ATOM 0 HA ILE A 61 -2.850 -4.971 -11.987 1.00 75.14 H new ATOM 0 HB ILE A 61 -0.502 -5.516 -10.141 1.00 10.10 H new ATOM 0 HG12 ILE A 61 -0.622 -4.258 -12.897 1.00 41.21 H new ATOM 0 HG13 ILE A 61 -0.457 -3.365 -11.398 1.00 41.21 H new ATOM 0 HG21 ILE A 61 0.341 -6.966 -11.946 1.00 4.14 H new ATOM 0 HG22 ILE A 61 -1.200 -7.560 -11.283 1.00 4.14 H new ATOM 0 HG23 ILE A 61 -1.172 -6.715 -12.849 1.00 4.14 H new ATOM 0 HD11 ILE A 61 1.706 -3.632 -12.502 1.00 23.31 H new ATOM 0 HD12 ILE A 61 1.689 -4.494 -10.945 1.00 23.31 H new ATOM 0 HD13 ILE A 61 1.521 -5.401 -12.467 1.00 23.31 H new ATOM 951 N TYR A 62 -4.056 -6.830 -10.928 1.00 42.43 N ATOM 952 CA TYR A 62 -4.775 -7.912 -10.357 1.00 74.50 C ATOM 953 C TYR A 62 -4.265 -9.201 -10.924 1.00 14.12 C ATOM 954 O TYR A 62 -4.752 -9.679 -11.957 1.00 5.13 O ATOM 955 CB TYR A 62 -6.297 -7.750 -10.538 1.00 11.14 C ATOM 956 CG TYR A 62 -7.113 -8.945 -10.092 1.00 13.03 C ATOM 957 CD1 TYR A 62 -7.046 -9.413 -8.793 1.00 34.50 C ATOM 958 CD2 TYR A 62 -7.949 -9.606 -10.984 1.00 25.52 C ATOM 959 CE1 TYR A 62 -7.777 -10.507 -8.397 1.00 53.44 C ATOM 960 CE2 TYR A 62 -8.687 -10.695 -10.594 1.00 10.35 C ATOM 961 CZ TYR A 62 -8.598 -11.144 -9.304 1.00 30.33 C ATOM 962 OH TYR A 62 -9.314 -12.256 -8.920 1.00 54.22 O ATOM 0 H TYR A 62 -4.347 -6.576 -11.872 1.00 42.43 H new ATOM 0 HA TYR A 62 -4.607 -7.920 -9.280 1.00 74.50 H new ATOM 0 HB2 TYR A 62 -6.625 -6.873 -9.980 1.00 11.14 H new ATOM 0 HB3 TYR A 62 -6.506 -7.555 -11.590 1.00 11.14 H new ATOM 0 HD1 TYR A 62 -6.410 -8.911 -8.079 1.00 34.50 H new ATOM 0 HD2 TYR A 62 -8.019 -9.256 -12.003 1.00 25.52 H new ATOM 0 HE1 TYR A 62 -7.709 -10.866 -7.381 1.00 53.44 H new ATOM 0 HE2 TYR A 62 -9.334 -11.195 -11.300 1.00 10.35 H new ATOM 0 HH TYR A 62 -9.843 -12.582 -9.678 1.00 54.22 H new ATOM 972 N GLN A 63 -3.203 -9.692 -10.274 1.00 72.13 N ATOM 973 CA GLN A 63 -2.536 -10.943 -10.603 1.00 3.23 C ATOM 974 C GLN A 63 -2.311 -11.100 -12.105 1.00 45.31 C ATOM 975 O GLN A 63 -2.991 -11.882 -12.775 1.00 44.43 O ATOM 976 CB GLN A 63 -3.292 -12.129 -10.003 1.00 51.31 C ATOM 977 CG GLN A 63 -3.352 -12.115 -8.472 1.00 42.21 C ATOM 978 CD GLN A 63 -4.203 -13.235 -7.883 1.00 51.12 C ATOM 979 OE1 GLN A 63 -4.275 -14.350 -8.563 1.00 21.44 O flip ATOM 980 NE2 GLN A 63 -4.796 -13.088 -6.814 1.00 74.25 N flip ATOM 0 H GLN A 63 -2.777 -9.210 -9.482 1.00 72.13 H new ATOM 0 HA GLN A 63 -1.544 -10.920 -10.153 1.00 3.23 H new ATOM 0 HB2 GLN A 63 -4.308 -12.137 -10.397 1.00 51.31 H new ATOM 0 HB3 GLN A 63 -2.817 -13.054 -10.330 1.00 51.31 H new ATOM 0 HG2 GLN A 63 -2.339 -12.193 -8.077 1.00 42.21 H new ATOM 0 HG3 GLN A 63 -3.750 -11.156 -8.141 1.00 42.21 H new ATOM 0 HE21 GLN A 63 -4.721 -12.207 -6.306 1.00 74.25 H new ATOM 0 HE22 GLN A 63 -5.362 -13.848 -6.436 1.00 74.25 H new ATOM 989 N GLY A 64 -1.409 -10.309 -12.636 1.00 74.42 N ATOM 990 CA GLY A 64 -1.158 -10.357 -14.044 1.00 75.11 C ATOM 991 C GLY A 64 -1.274 -9.001 -14.721 1.00 62.11 C ATOM 992 O GLY A 64 -0.256 -8.397 -15.075 1.00 3.40 O ATOM 0 H GLY A 64 -0.847 -9.635 -12.117 1.00 74.42 H new ATOM 0 HA2 GLY A 64 -0.158 -10.756 -14.215 1.00 75.11 H new ATOM 0 HA3 GLY A 64 -1.861 -11.049 -14.508 1.00 75.11 H new ATOM 996 N ARG A 65 -2.492 -8.492 -14.871 1.00 34.03 N ATOM 997 CA ARG A 65 -2.695 -7.262 -15.648 1.00 33.10 C ATOM 998 C ARG A 65 -3.252 -6.112 -14.803 1.00 44.25 C ATOM 999 O ARG A 65 -3.760 -6.322 -13.690 1.00 24.43 O ATOM 1000 CB ARG A 65 -3.617 -7.526 -16.859 1.00 22.35 C ATOM 1001 CG ARG A 65 -5.059 -7.883 -16.504 1.00 23.51 C ATOM 1002 CD ARG A 65 -5.878 -8.191 -17.757 1.00 2.13 C ATOM 1003 NE ARG A 65 -7.297 -8.447 -17.455 1.00 40.31 N ATOM 1004 CZ ARG A 65 -7.885 -9.656 -17.477 1.00 30.04 C ATOM 1005 NH1 ARG A 65 -7.160 -10.748 -17.687 1.00 2.05 N ATOM 1006 NH2 ARG A 65 -9.198 -9.763 -17.269 1.00 72.45 N ATOM 0 H ARG A 65 -3.341 -8.897 -14.477 1.00 34.03 H new ATOM 0 HA ARG A 65 -1.711 -6.954 -16.003 1.00 33.10 H new ATOM 0 HB2 ARG A 65 -3.623 -6.639 -17.493 1.00 22.35 H new ATOM 0 HB3 ARG A 65 -3.192 -8.337 -17.450 1.00 22.35 H new ATOM 0 HG2 ARG A 65 -5.069 -8.746 -15.839 1.00 23.51 H new ATOM 0 HG3 ARG A 65 -5.518 -7.057 -15.961 1.00 23.51 H new ATOM 0 HD2 ARG A 65 -5.803 -7.354 -18.451 1.00 2.13 H new ATOM 0 HD3 ARG A 65 -5.454 -9.061 -18.259 1.00 2.13 H new ATOM 0 HE ARG A 65 -7.878 -7.645 -17.210 1.00 40.31 H new ATOM 0 HH11 ARG A 65 -6.153 -10.672 -17.832 1.00 2.05 H new ATOM 0 HH12 ARG A 65 -7.610 -11.663 -17.703 1.00 2.05 H new ATOM 0 HH21 ARG A 65 -9.756 -8.928 -17.093 1.00 72.45 H new ATOM 0 HH22 ARG A 65 -9.644 -10.680 -17.286 1.00 72.45 H new ATOM 1020 N PHE A 66 -3.162 -4.906 -15.353 1.00 4.02 N ATOM 1021 CA PHE A 66 -3.677 -3.703 -14.714 1.00 53.33 C ATOM 1022 C PHE A 66 -5.148 -3.581 -15.088 1.00 41.31 C ATOM 1023 O PHE A 66 -5.468 -3.390 -16.261 1.00 13.23 O ATOM 1024 CB PHE A 66 -2.943 -2.450 -15.241 1.00 3.10 C ATOM 1025 CG PHE A 66 -1.438 -2.403 -15.054 1.00 12.43 C ATOM 1026 CD1 PHE A 66 -0.592 -3.068 -15.928 1.00 12.30 C ATOM 1027 CD2 PHE A 66 -0.869 -1.662 -14.027 1.00 45.22 C ATOM 1028 CE1 PHE A 66 0.775 -3.006 -15.784 1.00 3.41 C ATOM 1029 CE2 PHE A 66 0.502 -1.597 -13.885 1.00 72.31 C ATOM 1030 CZ PHE A 66 1.324 -2.268 -14.764 1.00 2.31 C ATOM 0 H PHE A 66 -2.727 -4.736 -16.260 1.00 4.02 H new ATOM 0 HA PHE A 66 -3.533 -3.771 -13.636 1.00 53.33 H new ATOM 0 HB2 PHE A 66 -3.155 -2.356 -16.306 1.00 3.10 H new ATOM 0 HB3 PHE A 66 -3.372 -1.575 -14.752 1.00 3.10 H new ATOM 0 HD1 PHE A 66 -1.014 -3.646 -16.737 1.00 12.30 H new ATOM 0 HD2 PHE A 66 -1.505 -1.132 -13.333 1.00 45.22 H new ATOM 0 HE1 PHE A 66 1.416 -3.537 -16.472 1.00 3.41 H new ATOM 0 HE2 PHE A 66 0.933 -1.018 -13.082 1.00 72.31 H new ATOM 0 HZ PHE A 66 2.397 -2.214 -14.651 1.00 2.31 H new ATOM 1040 N LEU A 67 -6.041 -3.706 -14.127 1.00 54.32 N ATOM 1041 CA LEU A 67 -7.479 -3.673 -14.462 1.00 71.11 C ATOM 1042 C LEU A 67 -8.044 -2.278 -14.665 1.00 13.40 C ATOM 1043 O LEU A 67 -8.738 -2.031 -15.646 1.00 50.15 O ATOM 1044 CB LEU A 67 -8.346 -4.423 -13.454 1.00 63.52 C ATOM 1045 CG LEU A 67 -8.121 -5.920 -13.315 1.00 11.33 C ATOM 1046 CD1 LEU A 67 -9.131 -6.486 -12.350 1.00 22.34 C ATOM 1047 CD2 LEU A 67 -8.235 -6.615 -14.656 1.00 3.24 C ATOM 0 H LEU A 67 -5.824 -3.828 -13.138 1.00 54.32 H new ATOM 0 HA LEU A 67 -7.522 -4.189 -15.421 1.00 71.11 H new ATOM 0 HB2 LEU A 67 -8.195 -3.967 -12.475 1.00 63.52 H new ATOM 0 HB3 LEU A 67 -9.390 -4.263 -13.723 1.00 63.52 H new ATOM 0 HG LEU A 67 -7.113 -6.090 -12.935 1.00 11.33 H new ATOM 0 HD11 LEU A 67 -8.974 -7.560 -12.247 1.00 22.34 H new ATOM 0 HD12 LEU A 67 -9.014 -6.007 -11.378 1.00 22.34 H new ATOM 0 HD13 LEU A 67 -10.137 -6.301 -12.726 1.00 22.34 H new ATOM 0 HD21 LEU A 67 -8.070 -7.685 -14.527 1.00 3.24 H new ATOM 0 HD22 LEU A 67 -9.230 -6.449 -15.068 1.00 3.24 H new ATOM 0 HD23 LEU A 67 -7.487 -6.212 -15.339 1.00 3.24 H new ATOM 1059 N HIS A 68 -7.747 -1.369 -13.757 1.00 63.31 N ATOM 1060 CA HIS A 68 -8.330 -0.031 -13.788 1.00 54.31 C ATOM 1061 C HIS A 68 -7.667 0.773 -12.687 1.00 23.24 C ATOM 1062 O HIS A 68 -7.259 0.212 -11.703 1.00 3.54 O ATOM 1063 CB HIS A 68 -9.858 -0.155 -13.537 1.00 1.24 C ATOM 1064 CG HIS A 68 -10.701 1.085 -13.731 1.00 31.31 C ATOM 1065 ND1 HIS A 68 -10.804 2.214 -13.007 1.00 2.23 N flip ATOM 1066 CD2 HIS A 68 -11.627 1.205 -14.733 1.00 22.12 C flip ATOM 1067 CE1 HIS A 68 -11.778 2.978 -13.571 1.00 62.12 C flip ATOM 1068 NE2 HIS A 68 -12.257 2.351 -14.612 1.00 11.32 N flip ATOM 0 H HIS A 68 -7.103 -1.529 -12.983 1.00 63.31 H new ATOM 0 HA HIS A 68 -8.175 0.461 -14.748 1.00 54.31 H new ATOM 0 HB2 HIS A 68 -10.245 -0.931 -14.197 1.00 1.24 H new ATOM 0 HB3 HIS A 68 -10.004 -0.504 -12.515 1.00 1.24 H new ATOM 0 HD2 HIS A 68 -11.811 0.471 -15.503 1.00 22.12 H new ATOM 0 HE1 HIS A 68 -12.102 3.945 -13.216 1.00 62.12 H new ATOM 0 HE2 HIS A 68 -12.995 2.693 -15.227 1.00 11.32 H new ATOM 1077 N GLY A 69 -7.582 2.060 -12.853 1.00 32.00 N ATOM 1078 CA GLY A 69 -6.897 2.930 -11.895 1.00 63.41 C ATOM 1079 C GLY A 69 -7.623 3.168 -10.557 1.00 1.41 C ATOM 1080 O GLY A 69 -7.123 3.910 -9.714 1.00 65.03 O ATOM 0 H GLY A 69 -7.981 2.553 -13.652 1.00 32.00 H new ATOM 0 HA2 GLY A 69 -5.917 2.502 -11.682 1.00 63.41 H new ATOM 0 HA3 GLY A 69 -6.727 3.896 -12.370 1.00 63.41 H new ATOM 1084 N ASN A 70 -8.785 2.558 -10.358 1.00 72.50 N ATOM 1085 CA ASN A 70 -9.636 2.905 -9.207 1.00 32.03 C ATOM 1086 C ASN A 70 -10.766 1.872 -9.056 1.00 53.42 C ATOM 1087 O ASN A 70 -11.816 2.152 -8.508 1.00 55.12 O ATOM 1088 CB ASN A 70 -10.234 4.332 -9.427 1.00 34.41 C ATOM 1089 CG ASN A 70 -11.002 4.887 -8.219 1.00 25.31 C ATOM 1090 OD1 ASN A 70 -10.696 4.575 -7.073 1.00 41.24 O ATOM 1091 ND2 ASN A 70 -11.990 5.708 -8.471 1.00 55.45 N ATOM 0 H ASN A 70 -9.163 1.830 -10.964 1.00 72.50 H new ATOM 0 HA ASN A 70 -9.039 2.898 -8.295 1.00 32.03 H new ATOM 0 HB2 ASN A 70 -9.424 5.018 -9.675 1.00 34.41 H new ATOM 0 HB3 ASN A 70 -10.903 4.304 -10.287 1.00 34.41 H new ATOM 0 HD21 ASN A 70 -12.530 6.107 -7.703 1.00 55.45 H new ATOM 0 HD22 ASN A 70 -12.220 5.948 -9.435 1.00 55.45 H new ATOM 1098 N VAL A 71 -10.525 0.657 -9.502 1.00 51.11 N ATOM 1099 CA VAL A 71 -11.569 -0.352 -9.436 1.00 60.01 C ATOM 1100 C VAL A 71 -11.584 -1.012 -8.045 1.00 61.24 C ATOM 1101 O VAL A 71 -10.526 -1.191 -7.415 1.00 1.54 O ATOM 1102 CB VAL A 71 -11.467 -1.401 -10.600 1.00 12.02 C ATOM 1103 CG1 VAL A 71 -10.186 -2.194 -10.565 1.00 52.11 C ATOM 1104 CG2 VAL A 71 -12.649 -2.325 -10.630 1.00 65.21 C ATOM 0 H VAL A 71 -9.641 0.346 -9.905 1.00 51.11 H new ATOM 0 HA VAL A 71 -12.527 0.147 -9.581 1.00 60.01 H new ATOM 0 HB VAL A 71 -11.464 -0.816 -11.520 1.00 12.02 H new ATOM 0 HG11 VAL A 71 -10.174 -2.902 -11.394 1.00 52.11 H new ATOM 0 HG12 VAL A 71 -9.336 -1.517 -10.654 1.00 52.11 H new ATOM 0 HG13 VAL A 71 -10.120 -2.737 -9.622 1.00 52.11 H new ATOM 0 HG21 VAL A 71 -12.536 -3.034 -11.451 1.00 65.21 H new ATOM 0 HG22 VAL A 71 -12.710 -2.868 -9.687 1.00 65.21 H new ATOM 0 HG23 VAL A 71 -13.561 -1.745 -10.774 1.00 65.21 H new ATOM 1114 N THR A 72 -12.767 -1.314 -7.566 1.00 51.51 N ATOM 1115 CA THR A 72 -12.954 -1.885 -6.257 1.00 62.33 C ATOM 1116 C THR A 72 -12.709 -3.392 -6.269 1.00 52.42 C ATOM 1117 O THR A 72 -12.765 -4.030 -7.323 1.00 63.33 O ATOM 1118 CB THR A 72 -14.369 -1.577 -5.728 1.00 32.14 C ATOM 1119 OG1 THR A 72 -15.363 -2.039 -6.666 1.00 42.54 O ATOM 1120 CG2 THR A 72 -14.548 -0.081 -5.507 1.00 22.10 C ATOM 0 H THR A 72 -13.635 -1.168 -8.081 1.00 51.51 H new ATOM 0 HA THR A 72 -12.223 -1.430 -5.589 1.00 62.33 H new ATOM 0 HB THR A 72 -14.494 -2.095 -4.777 1.00 32.14 H new ATOM 0 HG1 THR A 72 -16.258 -1.840 -6.319 1.00 42.54 H new ATOM 0 HG21 THR A 72 -15.553 0.114 -5.134 1.00 22.10 H new ATOM 0 HG22 THR A 72 -13.816 0.269 -4.779 1.00 22.10 H new ATOM 0 HG23 THR A 72 -14.403 0.446 -6.450 1.00 22.10 H new ATOM 1128 N LEU A 73 -12.452 -3.953 -5.095 1.00 12.51 N ATOM 1129 CA LEU A 73 -12.149 -5.368 -4.958 1.00 61.13 C ATOM 1130 C LEU A 73 -13.343 -6.243 -5.334 1.00 72.25 C ATOM 1131 O LEU A 73 -13.177 -7.333 -5.870 1.00 44.33 O ATOM 1132 CB LEU A 73 -11.686 -5.702 -3.538 1.00 40.34 C ATOM 1133 CG LEU A 73 -10.462 -4.944 -2.992 1.00 20.25 C ATOM 1134 CD1 LEU A 73 -9.319 -4.922 -3.972 1.00 14.33 C ATOM 1135 CD2 LEU A 73 -10.804 -3.559 -2.493 1.00 72.24 C ATOM 0 H LEU A 73 -12.448 -3.440 -4.214 1.00 12.51 H new ATOM 0 HA LEU A 73 -11.337 -5.583 -5.652 1.00 61.13 H new ATOM 0 HB2 LEU A 73 -12.522 -5.523 -2.861 1.00 40.34 H new ATOM 0 HB3 LEU A 73 -11.466 -6.769 -3.498 1.00 40.34 H new ATOM 0 HG LEU A 73 -10.125 -5.509 -2.123 1.00 20.25 H new ATOM 0 HD11 LEU A 73 -8.480 -4.376 -3.540 1.00 14.33 H new ATOM 0 HD12 LEU A 73 -9.011 -5.944 -4.195 1.00 14.33 H new ATOM 0 HD13 LEU A 73 -9.637 -4.430 -4.891 1.00 14.33 H new ATOM 0 HD21 LEU A 73 -9.902 -3.073 -2.120 1.00 72.24 H new ATOM 0 HD22 LEU A 73 -11.222 -2.971 -3.310 1.00 72.24 H new ATOM 0 HD23 LEU A 73 -11.535 -3.633 -1.688 1.00 72.24 H new ATOM 1147 N GLY A 74 -14.547 -5.758 -5.067 1.00 12.50 N ATOM 1148 CA GLY A 74 -15.738 -6.523 -5.418 1.00 24.13 C ATOM 1149 C GLY A 74 -15.900 -6.621 -6.925 1.00 74.13 C ATOM 1150 O GLY A 74 -16.400 -7.623 -7.452 1.00 71.24 O ATOM 0 H GLY A 74 -14.726 -4.859 -4.619 1.00 12.50 H new ATOM 0 HA2 GLY A 74 -15.671 -7.523 -4.991 1.00 24.13 H new ATOM 0 HA3 GLY A 74 -16.619 -6.050 -4.984 1.00 24.13 H new ATOM 1154 N ALA A 75 -15.436 -5.590 -7.610 1.00 52.41 N ATOM 1155 CA ALA A 75 -15.479 -5.507 -9.059 1.00 0.31 C ATOM 1156 C ALA A 75 -14.431 -6.419 -9.680 1.00 22.12 C ATOM 1157 O ALA A 75 -14.484 -6.728 -10.861 1.00 44.50 O ATOM 1158 CB ALA A 75 -15.283 -4.083 -9.507 1.00 44.44 C ATOM 0 H ALA A 75 -15.012 -4.774 -7.168 1.00 52.41 H new ATOM 0 HA ALA A 75 -16.460 -5.841 -9.397 1.00 0.31 H new ATOM 0 HB1 ALA A 75 -15.318 -4.036 -10.595 1.00 44.44 H new ATOM 0 HB2 ALA A 75 -16.074 -3.459 -9.092 1.00 44.44 H new ATOM 0 HB3 ALA A 75 -14.315 -3.722 -9.159 1.00 44.44 H new ATOM 1164 N LEU A 76 -13.485 -6.862 -8.859 1.00 14.15 N ATOM 1165 CA LEU A 76 -12.424 -7.770 -9.287 1.00 3.11 C ATOM 1166 C LEU A 76 -12.951 -9.206 -9.282 1.00 10.25 C ATOM 1167 O LEU A 76 -12.185 -10.170 -9.399 1.00 22.31 O ATOM 1168 CB LEU A 76 -11.265 -7.694 -8.308 1.00 32.21 C ATOM 1169 CG LEU A 76 -10.645 -6.337 -8.046 1.00 21.44 C ATOM 1170 CD1 LEU A 76 -9.553 -6.491 -7.054 1.00 3.11 C ATOM 1171 CD2 LEU A 76 -10.092 -5.751 -9.293 1.00 72.13 C ATOM 0 H LEU A 76 -13.431 -6.601 -7.874 1.00 14.15 H new ATOM 0 HA LEU A 76 -12.097 -7.486 -10.287 1.00 3.11 H new ATOM 0 HB2 LEU A 76 -11.607 -8.095 -7.354 1.00 32.21 H new ATOM 0 HB3 LEU A 76 -10.479 -8.357 -8.669 1.00 32.21 H new ATOM 0 HG LEU A 76 -11.418 -5.669 -7.666 1.00 21.44 H new ATOM 0 HD11 LEU A 76 -9.100 -5.519 -6.858 1.00 3.11 H new ATOM 0 HD12 LEU A 76 -9.958 -6.896 -6.127 1.00 3.11 H new ATOM 0 HD13 LEU A 76 -8.797 -7.171 -7.447 1.00 3.11 H new ATOM 0 HD21 LEU A 76 -9.654 -4.777 -9.074 1.00 72.13 H new ATOM 0 HD22 LEU A 76 -9.325 -6.412 -9.697 1.00 72.13 H new ATOM 0 HD23 LEU A 76 -10.891 -5.633 -10.025 1.00 72.13 H new ATOM 1183 N LYS A 77 -14.279 -9.327 -9.139 1.00 73.03 N ATOM 1184 CA LYS A 77 -15.002 -10.600 -9.097 1.00 25.33 C ATOM 1185 C LYS A 77 -14.665 -11.373 -7.830 1.00 54.13 C ATOM 1186 O LYS A 77 -14.942 -12.566 -7.720 1.00 40.35 O ATOM 1187 CB LYS A 77 -14.775 -11.485 -10.373 1.00 32.45 C ATOM 1188 CG LYS A 77 -15.278 -10.897 -11.699 1.00 42.11 C ATOM 1189 CD LYS A 77 -14.403 -9.754 -12.208 1.00 43.53 C ATOM 1190 CE LYS A 77 -15.001 -9.098 -13.442 1.00 71.21 C ATOM 1191 NZ LYS A 77 -15.221 -10.061 -14.543 1.00 53.24 N ATOM 0 H LYS A 77 -14.894 -8.518 -9.047 1.00 73.03 H new ATOM 0 HA LYS A 77 -16.063 -10.350 -9.086 1.00 25.33 H new ATOM 0 HB2 LYS A 77 -13.707 -11.683 -10.468 1.00 32.45 H new ATOM 0 HB3 LYS A 77 -15.265 -12.446 -10.216 1.00 32.45 H new ATOM 0 HG2 LYS A 77 -15.312 -11.685 -12.451 1.00 42.11 H new ATOM 0 HG3 LYS A 77 -16.298 -10.537 -11.568 1.00 42.11 H new ATOM 0 HD2 LYS A 77 -14.283 -9.009 -11.421 1.00 43.53 H new ATOM 0 HD3 LYS A 77 -13.408 -10.133 -12.443 1.00 43.53 H new ATOM 0 HE2 LYS A 77 -15.949 -8.630 -13.178 1.00 71.21 H new ATOM 0 HE3 LYS A 77 -14.338 -8.304 -13.785 1.00 71.21 H new ATOM 0 HZ1 LYS A 77 -15.484 -9.546 -15.407 1.00 53.24 H new ATOM 0 HZ2 LYS A 77 -14.348 -10.599 -14.713 1.00 53.24 H new ATOM 0 HZ3 LYS A 77 -15.986 -10.716 -14.284 1.00 53.24 H new ATOM 1205 N LEU A 78 -14.122 -10.671 -6.859 1.00 44.00 N ATOM 1206 CA LEU A 78 -13.717 -11.272 -5.609 1.00 3.54 C ATOM 1207 C LEU A 78 -14.890 -11.402 -4.675 1.00 60.13 C ATOM 1208 O LEU A 78 -15.528 -10.398 -4.330 1.00 13.54 O ATOM 1209 CB LEU A 78 -12.642 -10.433 -4.934 1.00 34.21 C ATOM 1210 CG LEU A 78 -11.359 -10.242 -5.711 1.00 15.54 C ATOM 1211 CD1 LEU A 78 -10.400 -9.358 -4.940 1.00 12.30 C ATOM 1212 CD2 LEU A 78 -10.725 -11.576 -6.019 1.00 14.44 C ATOM 0 H LEU A 78 -13.949 -9.667 -6.915 1.00 44.00 H new ATOM 0 HA LEU A 78 -13.320 -12.262 -5.833 1.00 3.54 H new ATOM 0 HB2 LEU A 78 -13.060 -9.450 -4.717 1.00 34.21 H new ATOM 0 HB3 LEU A 78 -12.398 -10.894 -3.977 1.00 34.21 H new ATOM 0 HG LEU A 78 -11.595 -9.750 -6.655 1.00 15.54 H new ATOM 0 HD11 LEU A 78 -9.482 -9.231 -5.513 1.00 12.30 H new ATOM 0 HD12 LEU A 78 -10.859 -8.384 -4.770 1.00 12.30 H new ATOM 0 HD13 LEU A 78 -10.168 -9.822 -3.981 1.00 12.30 H new ATOM 0 HD21 LEU A 78 -9.803 -11.420 -6.579 1.00 14.44 H new ATOM 0 HD22 LEU A 78 -10.501 -12.096 -5.088 1.00 14.44 H new ATOM 0 HD23 LEU A 78 -11.413 -12.177 -6.614 1.00 14.44 H new ATOM 1224 N PRO A 79 -15.214 -12.622 -4.269 1.00 45.32 N ATOM 1225 CA PRO A 79 -16.255 -12.856 -3.310 1.00 54.41 C ATOM 1226 C PRO A 79 -15.730 -12.654 -1.889 1.00 0.52 C ATOM 1227 O PRO A 79 -14.599 -13.042 -1.565 1.00 4.10 O ATOM 1228 CB PRO A 79 -16.647 -14.317 -3.541 1.00 44.02 C ATOM 1229 CG PRO A 79 -15.435 -14.969 -4.123 1.00 12.41 C ATOM 1230 CD PRO A 79 -14.578 -13.880 -4.722 1.00 55.45 C ATOM 0 HA PRO A 79 -17.097 -12.173 -3.424 1.00 54.41 H new ATOM 0 HB2 PRO A 79 -16.940 -14.797 -2.607 1.00 44.02 H new ATOM 0 HB3 PRO A 79 -17.497 -14.393 -4.219 1.00 44.02 H new ATOM 0 HG2 PRO A 79 -14.884 -15.511 -3.354 1.00 12.41 H new ATOM 0 HG3 PRO A 79 -15.719 -15.696 -4.884 1.00 12.41 H new ATOM 0 HD2 PRO A 79 -13.546 -13.951 -4.377 1.00 55.45 H new ATOM 0 HD3 PRO A 79 -14.555 -13.945 -5.810 1.00 55.45 H new ATOM 1238 N PHE A 80 -16.524 -12.030 -1.059 1.00 33.33 N ATOM 1239 CA PHE A 80 -16.147 -11.817 0.313 1.00 71.31 C ATOM 1240 C PHE A 80 -16.074 -13.103 1.098 1.00 25.22 C ATOM 1241 O PHE A 80 -16.791 -14.071 0.816 1.00 54.23 O ATOM 1242 CB PHE A 80 -16.999 -10.736 0.989 1.00 3.34 C ATOM 1243 CG PHE A 80 -18.454 -10.795 0.675 1.00 30.53 C ATOM 1244 CD1 PHE A 80 -19.274 -11.762 1.228 1.00 11.11 C ATOM 1245 CD2 PHE A 80 -18.999 -9.867 -0.185 1.00 4.53 C ATOM 1246 CE1 PHE A 80 -20.617 -11.799 0.920 1.00 62.24 C ATOM 1247 CE2 PHE A 80 -20.340 -9.894 -0.498 1.00 11.11 C ATOM 1248 CZ PHE A 80 -21.151 -10.863 0.053 1.00 53.21 C ATOM 0 H PHE A 80 -17.440 -11.659 -1.311 1.00 33.33 H new ATOM 0 HA PHE A 80 -15.130 -11.426 0.303 1.00 71.31 H new ATOM 0 HB2 PHE A 80 -16.872 -10.816 2.069 1.00 3.34 H new ATOM 0 HB3 PHE A 80 -16.618 -9.758 0.695 1.00 3.34 H new ATOM 0 HD1 PHE A 80 -18.859 -12.493 1.906 1.00 11.11 H new ATOM 0 HD2 PHE A 80 -18.366 -9.108 -0.620 1.00 4.53 H new ATOM 0 HE1 PHE A 80 -21.251 -12.557 1.355 1.00 62.24 H new ATOM 0 HE2 PHE A 80 -20.754 -9.159 -1.172 1.00 11.11 H new ATOM 0 HZ PHE A 80 -22.202 -10.891 -0.192 1.00 53.21 H new ATOM 1258 N GLY A 81 -15.209 -13.110 2.072 1.00 3.42 N ATOM 1259 CA GLY A 81 -14.954 -14.299 2.829 1.00 72.01 C ATOM 1260 C GLY A 81 -13.794 -15.091 2.258 1.00 4.54 C ATOM 1261 O GLY A 81 -13.499 -16.188 2.726 1.00 33.30 O ATOM 0 H GLY A 81 -14.665 -12.297 2.361 1.00 3.42 H new ATOM 0 HA2 GLY A 81 -14.738 -14.032 3.863 1.00 72.01 H new ATOM 0 HA3 GLY A 81 -15.849 -14.922 2.841 1.00 72.01 H new ATOM 1265 N LYS A 82 -13.119 -14.533 1.246 1.00 33.12 N ATOM 1266 CA LYS A 82 -11.982 -15.208 0.617 1.00 22.50 C ATOM 1267 C LYS A 82 -10.738 -14.299 0.672 1.00 14.33 C ATOM 1268 O LYS A 82 -10.855 -13.082 0.934 1.00 63.22 O ATOM 1269 CB LYS A 82 -12.303 -15.570 -0.848 1.00 20.30 C ATOM 1270 CG LYS A 82 -13.634 -16.305 -1.045 1.00 40.32 C ATOM 1271 CD LYS A 82 -13.737 -17.584 -0.218 1.00 31.52 C ATOM 1272 CE LYS A 82 -15.113 -18.205 -0.375 1.00 45.32 C ATOM 1273 NZ LYS A 82 -15.305 -19.395 0.477 1.00 21.20 N ATOM 0 H LYS A 82 -13.340 -13.620 0.848 1.00 33.12 H new ATOM 0 HA LYS A 82 -11.781 -16.129 1.164 1.00 22.50 H new ATOM 0 HB2 LYS A 82 -12.317 -14.655 -1.440 1.00 20.30 H new ATOM 0 HB3 LYS A 82 -11.498 -16.191 -1.240 1.00 20.30 H new ATOM 0 HG2 LYS A 82 -14.454 -15.639 -0.777 1.00 40.32 H new ATOM 0 HG3 LYS A 82 -13.755 -16.550 -2.100 1.00 40.32 H new ATOM 0 HD2 LYS A 82 -12.972 -18.293 -0.536 1.00 31.52 H new ATOM 0 HD3 LYS A 82 -13.549 -17.362 0.832 1.00 31.52 H new ATOM 0 HE2 LYS A 82 -15.872 -17.462 -0.130 1.00 45.32 H new ATOM 0 HE3 LYS A 82 -15.264 -18.483 -1.418 1.00 45.32 H new ATOM 0 HZ1 LYS A 82 -16.261 -19.777 0.329 1.00 21.20 H new ATOM 0 HZ2 LYS A 82 -14.600 -20.118 0.227 1.00 21.20 H new ATOM 0 HZ3 LYS A 82 -15.189 -19.129 1.476 1.00 21.20 H new ATOM 1287 N THR A 83 -9.568 -14.877 0.428 1.00 53.51 N ATOM 1288 CA THR A 83 -8.312 -14.147 0.484 1.00 72.23 C ATOM 1289 C THR A 83 -7.771 -13.910 -0.932 1.00 65.22 C ATOM 1290 O THR A 83 -7.803 -14.805 -1.774 1.00 42.05 O ATOM 1291 CB THR A 83 -7.259 -14.934 1.312 1.00 2.35 C ATOM 1292 OG1 THR A 83 -7.770 -15.201 2.627 1.00 43.54 O ATOM 1293 CG2 THR A 83 -5.950 -14.155 1.434 1.00 44.22 C ATOM 0 H THR A 83 -9.466 -15.863 0.186 1.00 53.51 H new ATOM 0 HA THR A 83 -8.499 -13.187 0.965 1.00 72.23 H new ATOM 0 HB THR A 83 -7.059 -15.870 0.790 1.00 2.35 H new ATOM 0 HG1 THR A 83 -7.102 -15.699 3.143 1.00 43.54 H new ATOM 0 HG21 THR A 83 -5.235 -14.734 2.019 1.00 44.22 H new ATOM 0 HG22 THR A 83 -5.542 -13.972 0.440 1.00 44.22 H new ATOM 0 HG23 THR A 83 -6.138 -13.203 1.930 1.00 44.22 H new ATOM 1301 N THR A 84 -7.326 -12.703 -1.208 1.00 14.32 N ATOM 1302 CA THR A 84 -6.766 -12.382 -2.506 1.00 20.32 C ATOM 1303 C THR A 84 -5.543 -11.439 -2.385 1.00 74.22 C ATOM 1304 O THR A 84 -5.512 -10.558 -1.525 1.00 70.23 O ATOM 1305 CB THR A 84 -7.851 -11.766 -3.410 1.00 21.20 C ATOM 1306 OG1 THR A 84 -8.951 -12.694 -3.496 1.00 74.32 O ATOM 1307 CG2 THR A 84 -7.312 -11.502 -4.810 1.00 42.12 C ATOM 0 H THR A 84 -7.341 -11.924 -0.549 1.00 14.32 H new ATOM 0 HA THR A 84 -6.412 -13.307 -2.961 1.00 20.32 H new ATOM 0 HB THR A 84 -8.173 -10.817 -2.982 1.00 21.20 H new ATOM 0 HG1 THR A 84 -9.722 -12.334 -3.010 1.00 74.32 H new ATOM 0 HG21 THR A 84 -8.099 -11.067 -5.427 1.00 42.12 H new ATOM 0 HG22 THR A 84 -6.472 -10.810 -4.752 1.00 42.12 H new ATOM 0 HG23 THR A 84 -6.979 -12.440 -5.255 1.00 42.12 H new ATOM 1315 N VAL A 85 -4.539 -11.654 -3.225 1.00 53.23 N ATOM 1316 CA VAL A 85 -3.345 -10.821 -3.256 1.00 11.43 C ATOM 1317 C VAL A 85 -3.331 -9.961 -4.537 1.00 53.33 C ATOM 1318 O VAL A 85 -3.766 -10.409 -5.599 1.00 24.12 O ATOM 1319 CB VAL A 85 -2.042 -11.682 -3.179 1.00 74.02 C ATOM 1320 CG1 VAL A 85 -1.923 -12.626 -4.371 1.00 30.24 C ATOM 1321 CG2 VAL A 85 -0.807 -10.798 -3.067 1.00 31.15 C ATOM 0 H VAL A 85 -4.530 -12.413 -3.906 1.00 53.23 H new ATOM 0 HA VAL A 85 -3.371 -10.170 -2.382 1.00 11.43 H new ATOM 0 HB VAL A 85 -2.108 -12.292 -2.278 1.00 74.02 H new ATOM 0 HG11 VAL A 85 -1.006 -13.208 -4.284 1.00 30.24 H new ATOM 0 HG12 VAL A 85 -2.780 -13.299 -4.389 1.00 30.24 H new ATOM 0 HG13 VAL A 85 -1.898 -12.046 -5.293 1.00 30.24 H new ATOM 0 HG21 VAL A 85 0.084 -11.423 -3.015 1.00 31.15 H new ATOM 0 HG22 VAL A 85 -0.744 -10.148 -3.940 1.00 31.15 H new ATOM 0 HG23 VAL A 85 -0.876 -10.189 -2.166 1.00 31.15 H new ATOM 1331 N MET A 86 -2.865 -8.739 -4.430 1.00 71.24 N ATOM 1332 CA MET A 86 -2.786 -7.848 -5.570 1.00 71.13 C ATOM 1333 C MET A 86 -1.479 -7.129 -5.582 1.00 1.40 C ATOM 1334 O MET A 86 -0.861 -6.923 -4.541 1.00 51.14 O ATOM 1335 CB MET A 86 -3.910 -6.819 -5.583 1.00 51.32 C ATOM 1336 CG MET A 86 -5.293 -7.394 -5.735 1.00 22.33 C ATOM 1337 SD MET A 86 -6.552 -6.122 -5.758 1.00 44.10 S ATOM 1338 CE MET A 86 -6.146 -5.256 -7.274 1.00 62.33 C ATOM 0 H MET A 86 -2.531 -8.333 -3.556 1.00 71.24 H new ATOM 0 HA MET A 86 -2.883 -8.473 -6.458 1.00 71.13 H new ATOM 0 HB2 MET A 86 -3.870 -6.247 -4.656 1.00 51.32 H new ATOM 0 HB3 MET A 86 -3.732 -6.118 -6.398 1.00 51.32 H new ATOM 0 HG2 MET A 86 -5.345 -7.972 -6.658 1.00 22.33 H new ATOM 0 HG3 MET A 86 -5.490 -8.084 -4.915 1.00 22.33 H new ATOM 0 HE1 MET A 86 -7.037 -4.760 -7.659 1.00 62.33 H new ATOM 0 HE2 MET A 86 -5.375 -4.513 -7.073 1.00 62.33 H new ATOM 0 HE3 MET A 86 -5.780 -5.968 -8.013 1.00 62.33 H new ATOM 1348 N HIS A 87 -1.049 -6.750 -6.752 1.00 32.43 N ATOM 1349 CA HIS A 87 0.176 -6.008 -6.893 1.00 62.53 C ATOM 1350 C HIS A 87 -0.199 -4.572 -7.167 1.00 72.01 C ATOM 1351 O HIS A 87 -1.035 -4.306 -8.028 1.00 11.51 O ATOM 1352 CB HIS A 87 1.034 -6.524 -8.039 1.00 2.13 C ATOM 1353 CG HIS A 87 1.466 -7.966 -7.962 1.00 61.13 C ATOM 1354 ND1 HIS A 87 2.772 -8.338 -7.770 1.00 22.55 N ATOM 1355 CD2 HIS A 87 0.769 -9.131 -8.121 1.00 33.23 C ATOM 1356 CE1 HIS A 87 2.870 -9.645 -7.811 1.00 65.12 C ATOM 1357 NE2 HIS A 87 1.673 -10.148 -8.020 1.00 52.43 N ATOM 0 H HIS A 87 -1.531 -6.944 -7.630 1.00 32.43 H new ATOM 0 HA HIS A 87 0.761 -6.114 -5.979 1.00 62.53 H new ATOM 0 HB2 HIS A 87 0.482 -6.383 -8.968 1.00 2.13 H new ATOM 0 HB3 HIS A 87 1.928 -5.903 -8.102 1.00 2.13 H new ATOM 0 HD2 HIS A 87 -0.293 -9.228 -8.293 1.00 33.23 H new ATOM 0 HE1 HIS A 87 3.781 -10.213 -7.693 1.00 65.12 H new ATOM 0 HE2 HIS A 87 1.455 -11.142 -8.095 1.00 52.43 H new ATOM 1366 N LEU A 88 0.371 -3.659 -6.446 1.00 1.13 N ATOM 1367 CA LEU A 88 0.006 -2.271 -6.598 1.00 64.31 C ATOM 1368 C LEU A 88 1.183 -1.458 -7.058 1.00 42.23 C ATOM 1369 O LEU A 88 2.330 -1.748 -6.687 1.00 61.15 O ATOM 1370 CB LEU A 88 -0.570 -1.692 -5.286 1.00 64.52 C ATOM 1371 CG LEU A 88 -1.895 -2.298 -4.747 1.00 63.52 C ATOM 1372 CD1 LEU A 88 -3.013 -2.199 -5.766 1.00 1.24 C ATOM 1373 CD2 LEU A 88 -1.716 -3.728 -4.271 1.00 62.42 C ATOM 0 H LEU A 88 1.090 -3.841 -5.746 1.00 1.13 H new ATOM 0 HA LEU A 88 -0.773 -2.217 -7.359 1.00 64.31 H new ATOM 0 HB2 LEU A 88 0.188 -1.801 -4.510 1.00 64.52 H new ATOM 0 HB3 LEU A 88 -0.725 -0.623 -5.431 1.00 64.52 H new ATOM 0 HG LEU A 88 -2.181 -1.701 -3.881 1.00 63.52 H new ATOM 0 HD11 LEU A 88 -3.923 -2.633 -5.351 1.00 1.24 H new ATOM 0 HD12 LEU A 88 -3.190 -1.152 -6.011 1.00 1.24 H new ATOM 0 HD13 LEU A 88 -2.731 -2.740 -6.669 1.00 1.24 H new ATOM 0 HD21 LEU A 88 -2.668 -4.111 -3.903 1.00 62.42 H new ATOM 0 HD22 LEU A 88 -1.372 -4.347 -5.100 1.00 62.42 H new ATOM 0 HD23 LEU A 88 -0.979 -3.755 -3.468 1.00 62.42 H new ATOM 1385 N VAL A 89 0.919 -0.468 -7.889 1.00 14.11 N ATOM 1386 CA VAL A 89 1.958 0.407 -8.379 1.00 22.21 C ATOM 1387 C VAL A 89 1.494 1.862 -8.260 1.00 64.45 C ATOM 1388 O VAL A 89 0.335 2.188 -8.568 1.00 4.23 O ATOM 1389 CB VAL A 89 2.378 0.099 -9.868 1.00 71.11 C ATOM 1390 CG1 VAL A 89 2.845 -1.334 -10.035 1.00 72.14 C ATOM 1391 CG2 VAL A 89 1.263 0.388 -10.844 1.00 24.04 C ATOM 0 H VAL A 89 -0.014 -0.252 -8.239 1.00 14.11 H new ATOM 0 HA VAL A 89 2.841 0.233 -7.764 1.00 22.21 H new ATOM 0 HB VAL A 89 3.211 0.766 -10.092 1.00 71.11 H new ATOM 0 HG11 VAL A 89 3.125 -1.507 -11.074 1.00 72.14 H new ATOM 0 HG12 VAL A 89 3.707 -1.513 -9.392 1.00 72.14 H new ATOM 0 HG13 VAL A 89 2.039 -2.014 -9.759 1.00 72.14 H new ATOM 0 HG21 VAL A 89 1.598 0.161 -11.856 1.00 24.04 H new ATOM 0 HG22 VAL A 89 0.398 -0.229 -10.601 1.00 24.04 H new ATOM 0 HG23 VAL A 89 0.987 1.441 -10.780 1.00 24.04 H new ATOM 1401 N ALA A 90 2.359 2.709 -7.768 1.00 52.33 N ATOM 1402 CA ALA A 90 2.045 4.108 -7.657 1.00 3.22 C ATOM 1403 C ALA A 90 3.184 4.949 -8.150 1.00 34.02 C ATOM 1404 O ALA A 90 4.361 4.646 -7.896 1.00 53.02 O ATOM 1405 CB ALA A 90 1.672 4.501 -6.234 1.00 73.15 C ATOM 0 H ALA A 90 3.289 2.453 -7.437 1.00 52.33 H new ATOM 0 HA ALA A 90 1.173 4.291 -8.285 1.00 3.22 H new ATOM 0 HB1 ALA A 90 1.443 5.566 -6.199 1.00 73.15 H new ATOM 0 HB2 ALA A 90 0.799 3.931 -5.916 1.00 73.15 H new ATOM 0 HB3 ALA A 90 2.507 4.287 -5.567 1.00 73.15 H new