USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 622 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 HIS : no HD1:sc= -0.715 K(o=-0.75,f=-1.9) USER MOD Set 1.2: A 59 MET CE :methyl -169:sc= -0.0301 (180deg=-0.213) USER MOD Single : A 1 TRP N :NH3+ 149:sc= 0.256 (180deg=0.0244) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -142:sc=-0.00247 (180deg=-1.76!) USER MOD Single : A 8 THR OG1 : rot 70:sc= 0.722 USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0105) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.38) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 174:sc= 0 (180deg=-0.0268) USER MOD Single : A 29 SER OG : rot -19:sc= 0.71 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0404 X(o=-0.04,f=-0.1) USER MOD Single : A 35 CYS SG : rot -46:sc= -4.01! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0789 K(o=-0.079,f=-2.2!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0836 F(o=-2.3!,f=-0.084) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00191) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.082) USER MOD Single : A 47 ASN :FLIP amide:sc= -0.139 F(o=-4.4!,f=-0.14) USER MOD Single : A 53 GLN : amide:sc= -0.0159 X(o=-0.016,f=0.18) USER MOD Single : A 54 GLN : amide:sc= -0.393 K(o=-0.39,f=-3.8!) USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= 0.0638 (180deg=-0.0569) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.804 K(o=0.8,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0155) USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= -0.0326 (180deg=-0.275) USER MOD Single : A 70 LYS NZ :NH3+ -143:sc= -0.214 (180deg=-1.85!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.450 0.579 -1.733 1.00 0.00 N ATOM 2 CA TRP A 1 2.524 0.302 -2.714 1.00 0.00 C ATOM 3 C TRP A 1 2.394 -1.133 -3.264 1.00 0.00 C ATOM 4 O TRP A 1 2.647 -2.108 -2.546 1.00 0.00 O ATOM 5 CB TRP A 1 3.922 0.509 -2.082 1.00 0.00 C ATOM 6 CG TRP A 1 4.220 1.934 -1.667 1.00 0.00 C ATOM 7 CD1 TRP A 1 3.873 2.546 -0.492 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.935 2.913 -2.431 1.00 0.00 C ATOM 9 NE1 TRP A 1 4.316 3.841 -0.492 1.00 0.00 N ATOM 10 CE2 TRP A 1 4.973 4.091 -1.668 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.546 2.907 -3.691 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.595 5.253 -2.116 1.00 0.00 C ATOM 13 CZ3 TRP A 1 6.165 4.058 -4.137 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.184 5.218 -3.350 1.00 0.00 C ATOM 0 H1 TRP A 1 1.797 1.250 -1.019 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.629 0.989 -2.223 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.168 -0.307 -1.267 1.00 0.00 H new ATOM 0 HA TRP A 1 2.416 1.006 -3.539 1.00 0.00 H new ATOM 0 HB2 TRP A 1 4.011 -0.136 -1.208 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.680 0.186 -2.795 1.00 0.00 H new ATOM 0 HD1 TRP A 1 3.330 2.076 0.315 1.00 0.00 H new ATOM 0 HE1 TRP A 1 4.179 4.513 0.263 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.533 2.017 -4.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 5.612 6.148 -1.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.641 4.065 -5.106 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.675 6.104 -3.726 1.00 0.00 H new ATOM 25 N THR A 2 1.971 -1.228 -4.536 1.00 0.00 N ATOM 26 CA THR A 2 1.931 -2.484 -5.319 1.00 0.00 C ATOM 27 C THR A 2 3.376 -2.922 -5.673 1.00 0.00 C ATOM 28 O THR A 2 4.263 -2.079 -5.724 1.00 0.00 O ATOM 29 CB THR A 2 1.092 -2.237 -6.625 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.168 -1.631 -6.274 1.00 0.00 O ATOM 31 CG2 THR A 2 0.826 -3.516 -7.441 1.00 0.00 C ATOM 0 H THR A 2 1.640 -0.420 -5.063 1.00 0.00 H new ATOM 0 HA THR A 2 1.464 -3.278 -4.736 1.00 0.00 H new ATOM 0 HB THR A 2 1.688 -1.579 -7.257 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.693 -1.474 -7.086 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.242 -3.267 -8.327 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.775 -3.958 -7.744 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.272 -4.229 -6.830 1.00 0.00 H new ATOM 39 N GLU A 3 3.608 -4.226 -5.923 1.00 0.00 N ATOM 40 CA GLU A 3 4.960 -4.764 -6.245 1.00 0.00 C ATOM 41 C GLU A 3 5.557 -4.146 -7.538 1.00 0.00 C ATOM 42 O GLU A 3 6.780 -4.182 -7.738 1.00 0.00 O ATOM 43 CB GLU A 3 4.921 -6.311 -6.345 1.00 0.00 C ATOM 44 CG GLU A 3 4.560 -7.023 -5.026 1.00 0.00 C ATOM 45 CD GLU A 3 4.381 -8.542 -5.190 1.00 0.00 C ATOM 46 OE1 GLU A 3 3.243 -8.988 -5.481 1.00 0.00 O ATOM 47 OE2 GLU A 3 5.365 -9.295 -5.029 1.00 0.00 O ATOM 0 H GLU A 3 2.876 -4.936 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 3 5.619 -4.477 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.197 -6.596 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.895 -6.666 -6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.342 -6.833 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.639 -6.595 -4.629 1.00 0.00 H new ATOM 54 N GLU A 4 4.685 -3.593 -8.403 1.00 0.00 N ATOM 55 CA GLU A 4 5.099 -2.870 -9.621 1.00 0.00 C ATOM 56 C GLU A 4 5.850 -1.568 -9.255 1.00 0.00 C ATOM 57 O GLU A 4 7.000 -1.363 -9.665 1.00 0.00 O ATOM 58 CB GLU A 4 3.857 -2.552 -10.496 1.00 0.00 C ATOM 59 CG GLU A 4 3.066 -3.790 -10.962 1.00 0.00 C ATOM 60 CD GLU A 4 1.814 -3.427 -11.780 1.00 0.00 C ATOM 61 OE1 GLU A 4 1.921 -3.277 -13.020 1.00 0.00 O ATOM 62 OE2 GLU A 4 0.717 -3.293 -11.193 1.00 0.00 O ATOM 0 H GLU A 4 3.674 -3.635 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 4 5.778 -3.505 -10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.189 -1.901 -9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.181 -1.993 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.716 -4.425 -11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.768 -4.374 -10.091 1.00 0.00 H new ATOM 69 N GLU A 5 5.191 -0.716 -8.450 1.00 0.00 N ATOM 70 CA GLU A 5 5.740 0.593 -8.015 1.00 0.00 C ATOM 71 C GLU A 5 6.834 0.417 -6.933 1.00 0.00 C ATOM 72 O GLU A 5 7.707 1.273 -6.793 1.00 0.00 O ATOM 73 CB GLU A 5 4.600 1.531 -7.542 1.00 0.00 C ATOM 74 CG GLU A 5 3.785 1.002 -6.353 1.00 0.00 C ATOM 75 CD GLU A 5 2.511 1.805 -6.069 1.00 0.00 C ATOM 76 OE1 GLU A 5 2.607 2.913 -5.505 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.404 1.317 -6.390 1.00 0.00 O ATOM 0 H GLU A 5 4.261 -0.910 -8.079 1.00 0.00 H new ATOM 0 HA GLU A 5 6.221 1.064 -8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.030 2.495 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.924 1.709 -8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.514 -0.036 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.413 1.009 -5.462 1.00 0.00 H new ATOM 84 N MET A 6 6.744 -0.676 -6.152 1.00 0.00 N ATOM 85 CA MET A 6 7.814 -1.119 -5.219 1.00 0.00 C ATOM 86 C MET A 6 9.112 -1.398 -5.995 1.00 0.00 C ATOM 87 O MET A 6 10.193 -1.003 -5.574 1.00 0.00 O ATOM 88 CB MET A 6 7.401 -2.414 -4.456 1.00 0.00 C ATOM 89 CG MET A 6 6.487 -2.202 -3.251 1.00 0.00 C ATOM 90 SD MET A 6 7.323 -1.310 -1.921 1.00 0.00 S ATOM 91 CE MET A 6 6.310 -1.728 -0.502 1.00 0.00 C ATOM 0 H MET A 6 5.925 -1.284 -6.146 1.00 0.00 H new ATOM 0 HA MET A 6 7.972 -0.317 -4.498 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.901 -3.084 -5.156 1.00 0.00 H new ATOM 0 HB3 MET A 6 8.305 -2.921 -4.120 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.602 -1.647 -3.560 1.00 0.00 H new ATOM 0 HG3 MET A 6 6.144 -3.168 -2.881 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.220 -0.859 0.150 1.00 0.00 H new ATOM 0 HE2 MET A 6 5.319 -2.033 -0.839 1.00 0.00 H new ATOM 0 HE3 MET A 6 6.774 -2.547 0.048 1.00 0.00 H new ATOM 101 N GLY A 7 8.957 -2.114 -7.121 1.00 0.00 N ATOM 102 CA GLY A 7 10.055 -2.406 -8.043 1.00 0.00 C ATOM 103 C GLY A 7 10.610 -1.153 -8.715 1.00 0.00 C ATOM 104 O GLY A 7 11.812 -1.046 -8.938 1.00 0.00 O ATOM 0 H GLY A 7 8.062 -2.506 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.856 -2.907 -7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.706 -3.099 -8.808 1.00 0.00 H new ATOM 108 N THR A 8 9.712 -0.198 -9.025 1.00 0.00 N ATOM 109 CA THR A 8 10.080 1.114 -9.607 1.00 0.00 C ATOM 110 C THR A 8 10.831 1.989 -8.578 1.00 0.00 C ATOM 111 O THR A 8 11.730 2.760 -8.937 1.00 0.00 O ATOM 112 CB THR A 8 8.805 1.862 -10.121 1.00 0.00 C ATOM 113 OG1 THR A 8 8.078 0.983 -10.989 1.00 0.00 O ATOM 114 CG2 THR A 8 9.135 3.163 -10.887 1.00 0.00 C ATOM 0 H THR A 8 8.709 -0.312 -8.880 1.00 0.00 H new ATOM 0 HA THR A 8 10.746 0.931 -10.450 1.00 0.00 H new ATOM 0 HB THR A 8 8.216 2.144 -9.248 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.680 0.259 -10.462 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.210 3.635 -11.218 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.676 3.845 -10.230 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.752 2.928 -11.754 1.00 0.00 H new ATOM 122 N ALA A 9 10.454 1.839 -7.291 1.00 0.00 N ATOM 123 CA ALA A 9 11.077 2.573 -6.168 1.00 0.00 C ATOM 124 C ALA A 9 12.438 1.970 -5.832 1.00 0.00 C ATOM 125 O ALA A 9 13.381 2.687 -5.547 1.00 0.00 O ATOM 126 CB ALA A 9 10.159 2.582 -4.927 1.00 0.00 C ATOM 0 H ALA A 9 9.709 1.206 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 9 11.222 3.608 -6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.645 3.129 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.215 3.066 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.968 1.557 -4.608 1.00 0.00 H new ATOM 132 N LYS A 10 12.521 0.640 -5.905 1.00 0.00 N ATOM 133 CA LYS A 10 13.757 -0.111 -5.639 1.00 0.00 C ATOM 134 C LYS A 10 14.799 0.198 -6.730 1.00 0.00 C ATOM 135 O LYS A 10 15.949 0.506 -6.424 1.00 0.00 O ATOM 136 CB LYS A 10 13.435 -1.640 -5.540 1.00 0.00 C ATOM 137 CG LYS A 10 14.660 -2.591 -5.388 1.00 0.00 C ATOM 138 CD LYS A 10 15.221 -3.102 -6.746 1.00 0.00 C ATOM 139 CE LYS A 10 16.555 -3.853 -6.591 1.00 0.00 C ATOM 140 NZ LYS A 10 16.439 -5.033 -5.697 1.00 0.00 N ATOM 0 H LYS A 10 11.729 0.047 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 10 14.184 0.196 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.772 -1.796 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.882 -1.933 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.451 -2.068 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.372 -3.447 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.489 -3.762 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.361 -2.256 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.903 -4.176 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.308 -3.172 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.349 -5.535 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.182 -4.719 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.704 -5.673 -6.060 1.00 0.00 H new ATOM 154 N LYS A 11 14.348 0.136 -7.998 1.00 0.00 N ATOM 155 CA LYS A 11 15.192 0.381 -9.189 1.00 0.00 C ATOM 156 C LYS A 11 15.526 1.885 -9.302 1.00 0.00 C ATOM 157 O LYS A 11 16.609 2.259 -9.765 1.00 0.00 O ATOM 158 CB LYS A 11 14.473 -0.124 -10.480 1.00 0.00 C ATOM 159 CG LYS A 11 15.300 -0.007 -11.786 1.00 0.00 C ATOM 160 CD LYS A 11 16.593 -0.861 -11.756 1.00 0.00 C ATOM 161 CE LYS A 11 17.476 -0.670 -13.002 1.00 0.00 C ATOM 162 NZ LYS A 11 16.784 -1.071 -14.256 1.00 0.00 N ATOM 0 H LYS A 11 13.380 -0.087 -8.229 1.00 0.00 H new ATOM 0 HA LYS A 11 16.124 -0.174 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.196 -1.168 -10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.547 0.438 -10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.684 -0.318 -12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.564 1.038 -11.952 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.170 -0.604 -10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.323 -1.913 -11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.776 0.375 -13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.388 -1.256 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.420 -0.924 -15.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.520 -2.076 -14.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.927 -0.495 -14.379 1.00 0.00 H new ATOM 176 N GLY A 12 14.585 2.732 -8.847 1.00 0.00 N ATOM 177 CA GLY A 12 14.778 4.182 -8.821 1.00 0.00 C ATOM 178 C GLY A 12 15.873 4.590 -7.852 1.00 0.00 C ATOM 179 O GLY A 12 16.849 5.239 -8.236 1.00 0.00 O ATOM 0 H GLY A 12 13.679 2.428 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.030 4.533 -9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.844 4.668 -8.539 1.00 0.00 H new ATOM 183 N LEU A 13 15.700 4.177 -6.592 1.00 0.00 N ATOM 184 CA LEU A 13 16.668 4.411 -5.505 1.00 0.00 C ATOM 185 C LEU A 13 18.022 3.743 -5.816 1.00 0.00 C ATOM 186 O LEU A 13 19.065 4.277 -5.450 1.00 0.00 O ATOM 187 CB LEU A 13 16.060 3.907 -4.163 1.00 0.00 C ATOM 188 CG LEU A 13 14.844 4.752 -3.637 1.00 0.00 C ATOM 189 CD1 LEU A 13 14.002 3.993 -2.587 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.325 6.102 -3.079 1.00 0.00 C ATOM 0 H LEU A 13 14.873 3.663 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 13 16.865 5.479 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.739 2.873 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.841 3.907 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 13 14.191 4.934 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.176 4.623 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.607 3.079 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.629 3.741 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.469 6.673 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.018 5.929 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.830 6.662 -3.866 1.00 0.00 H new ATOM 202 N LEU A 14 17.979 2.600 -6.532 1.00 0.00 N ATOM 203 CA LEU A 14 19.184 1.870 -6.995 1.00 0.00 C ATOM 204 C LEU A 14 20.054 2.788 -7.880 1.00 0.00 C ATOM 205 O LEU A 14 21.206 3.082 -7.544 1.00 0.00 O ATOM 206 CB LEU A 14 18.758 0.598 -7.800 1.00 0.00 C ATOM 207 CG LEU A 14 19.886 -0.386 -8.255 1.00 0.00 C ATOM 208 CD1 LEU A 14 20.488 -1.155 -7.064 1.00 0.00 C ATOM 209 CD2 LEU A 14 19.373 -1.365 -9.336 1.00 0.00 C ATOM 0 H LEU A 14 17.105 2.153 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 14 19.767 1.563 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.049 0.037 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.222 0.928 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 14 20.680 0.218 -8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.268 -1.828 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 14 20.917 -0.448 -6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 14 19.706 -1.734 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.180 -2.036 -9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.545 -1.949 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.033 -0.802 -10.205 1.00 0.00 H new ATOM 221 N GLU A 15 19.442 3.295 -8.966 1.00 0.00 N ATOM 222 CA GLU A 15 20.142 4.047 -10.026 1.00 0.00 C ATOM 223 C GLU A 15 20.425 5.506 -9.625 1.00 0.00 C ATOM 224 O GLU A 15 21.584 5.931 -9.563 1.00 0.00 O ATOM 225 CB GLU A 15 19.299 4.006 -11.331 1.00 0.00 C ATOM 226 CG GLU A 15 19.088 2.595 -11.910 1.00 0.00 C ATOM 227 CD GLU A 15 20.407 1.876 -12.238 1.00 0.00 C ATOM 228 OE1 GLU A 15 20.945 2.083 -13.343 1.00 0.00 O ATOM 229 OE2 GLU A 15 20.927 1.128 -11.385 1.00 0.00 O ATOM 0 H GLU A 15 18.441 3.194 -9.135 1.00 0.00 H new ATOM 0 HA GLU A 15 21.108 3.569 -10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.325 4.454 -11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.787 4.625 -12.084 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.522 1.996 -11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.485 2.666 -12.815 1.00 0.00 H new ATOM 236 N HIS A 16 19.344 6.248 -9.342 1.00 0.00 N ATOM 237 CA HIS A 16 19.385 7.717 -9.134 1.00 0.00 C ATOM 238 C HIS A 16 19.874 8.079 -7.719 1.00 0.00 C ATOM 239 O HIS A 16 20.093 9.256 -7.419 1.00 0.00 O ATOM 240 CB HIS A 16 17.980 8.337 -9.381 1.00 0.00 C ATOM 241 CG HIS A 16 17.324 7.915 -10.676 1.00 0.00 C ATOM 242 ND1 HIS A 16 17.623 8.475 -11.901 1.00 0.00 N ATOM 243 CD2 HIS A 16 16.380 6.973 -10.925 1.00 0.00 C ATOM 244 CE1 HIS A 16 16.894 7.898 -12.840 1.00 0.00 C ATOM 245 NE2 HIS A 16 16.133 6.980 -12.272 1.00 0.00 N ATOM 0 H HIS A 16 18.409 5.851 -9.249 1.00 0.00 H new ATOM 0 HA HIS A 16 20.095 8.129 -9.851 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.326 8.064 -8.552 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.070 9.423 -9.372 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.909 6.333 -10.193 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.917 8.137 -13.893 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.470 6.375 -12.757 1.00 0.00 H new ATOM 254 N GLY A 17 20.039 7.056 -6.864 1.00 0.00 N ATOM 255 CA GLY A 17 20.431 7.255 -5.470 1.00 0.00 C ATOM 256 C GLY A 17 19.230 7.492 -4.567 1.00 0.00 C ATOM 257 O GLY A 17 18.077 7.436 -5.019 1.00 0.00 O ATOM 0 H GLY A 17 19.904 6.078 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.981 6.381 -5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.109 8.106 -5.402 1.00 0.00 H new ATOM 261 N ARG A 18 19.493 7.794 -3.288 1.00 0.00 N ATOM 262 CA ARG A 18 18.444 8.092 -2.287 1.00 0.00 C ATOM 263 C ARG A 18 18.047 9.586 -2.322 1.00 0.00 C ATOM 264 O ARG A 18 17.727 10.187 -1.294 1.00 0.00 O ATOM 265 CB ARG A 18 18.947 7.665 -0.887 1.00 0.00 C ATOM 266 CG ARG A 18 19.284 6.165 -0.779 1.00 0.00 C ATOM 267 CD ARG A 18 19.758 5.752 0.622 1.00 0.00 C ATOM 268 NE ARG A 18 20.972 6.478 1.034 1.00 0.00 N ATOM 269 CZ ARG A 18 21.929 5.998 1.840 1.00 0.00 C ATOM 270 NH1 ARG A 18 21.868 4.757 2.311 1.00 0.00 N ATOM 271 NH2 ARG A 18 22.953 6.765 2.161 1.00 0.00 N ATOM 0 H ARG A 18 20.440 7.840 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 18 17.544 7.525 -2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.835 8.246 -0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.186 7.911 -0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.403 5.581 -1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.059 5.920 -1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.962 5.939 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.955 4.680 0.636 1.00 0.00 H new ATOM 0 HE ARG A 18 21.094 7.425 0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.084 4.154 2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 18 22.605 4.407 2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 18 23.012 7.716 1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.686 6.407 2.774 1.00 0.00 H new ATOM 285 N ASN A 19 18.053 10.163 -3.531 1.00 0.00 N ATOM 286 CA ASN A 19 17.673 11.554 -3.782 1.00 0.00 C ATOM 287 C ASN A 19 16.140 11.629 -3.853 1.00 0.00 C ATOM 288 O ASN A 19 15.547 11.343 -4.899 1.00 0.00 O ATOM 289 CB ASN A 19 18.339 12.051 -5.100 1.00 0.00 C ATOM 290 CG ASN A 19 19.879 12.027 -5.049 1.00 0.00 C ATOM 291 OD1 ASN A 19 20.484 12.221 -3.991 1.00 0.00 O ATOM 292 ND2 ASN A 19 20.523 11.784 -6.186 1.00 0.00 N ATOM 0 H ASN A 19 18.328 9.664 -4.377 1.00 0.00 H new ATOM 0 HA ASN A 19 18.019 12.204 -2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.000 11.429 -5.928 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.005 13.067 -5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.542 11.754 -6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.998 11.627 -7.046 1.00 0.00 H new ATOM 299 N TRP A 20 15.518 11.981 -2.714 1.00 0.00 N ATOM 300 CA TRP A 20 14.057 11.866 -2.507 1.00 0.00 C ATOM 301 C TRP A 20 13.266 12.706 -3.515 1.00 0.00 C ATOM 302 O TRP A 20 12.172 12.328 -3.901 1.00 0.00 O ATOM 303 CB TRP A 20 13.670 12.269 -1.056 1.00 0.00 C ATOM 304 CG TRP A 20 14.533 11.621 0.009 1.00 0.00 C ATOM 305 CD1 TRP A 20 15.254 12.249 0.991 1.00 0.00 C ATOM 306 CD2 TRP A 20 14.800 10.217 0.160 1.00 0.00 C ATOM 307 NE1 TRP A 20 15.937 11.325 1.737 1.00 0.00 N ATOM 308 CE2 TRP A 20 15.676 10.075 1.245 1.00 0.00 C ATOM 309 CE3 TRP A 20 14.370 9.067 -0.507 1.00 0.00 C ATOM 310 CZ2 TRP A 20 16.150 8.837 1.658 1.00 0.00 C ATOM 311 CZ3 TRP A 20 14.840 7.841 -0.097 1.00 0.00 C ATOM 312 CH2 TRP A 20 15.718 7.734 0.974 1.00 0.00 C ATOM 0 H TRP A 20 16.014 12.355 -1.905 1.00 0.00 H new ATOM 0 HA TRP A 20 13.795 10.820 -2.667 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.741 13.352 -0.958 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.628 12.000 -0.880 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.280 13.316 1.153 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.542 11.535 2.531 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.678 9.140 -1.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.835 8.748 2.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.522 6.949 -0.615 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.068 6.757 1.274 1.00 0.00 H new ATOM 323 N SER A 21 13.849 13.843 -3.928 1.00 0.00 N ATOM 324 CA SER A 21 13.237 14.760 -4.911 1.00 0.00 C ATOM 325 C SER A 21 13.115 14.096 -6.302 1.00 0.00 C ATOM 326 O SER A 21 12.108 14.273 -7.000 1.00 0.00 O ATOM 327 CB SER A 21 14.079 16.055 -4.997 1.00 0.00 C ATOM 328 OG SER A 21 13.489 17.022 -5.853 1.00 0.00 O ATOM 0 H SER A 21 14.760 14.155 -3.591 1.00 0.00 H new ATOM 0 HA SER A 21 12.228 15.005 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.195 16.478 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 21 15.078 15.813 -5.359 1.00 0.00 H new ATOM 0 HG SER A 21 14.052 17.824 -5.877 1.00 0.00 H new ATOM 334 N ALA A 22 14.144 13.322 -6.677 1.00 0.00 N ATOM 335 CA ALA A 22 14.224 12.656 -7.993 1.00 0.00 C ATOM 336 C ALA A 22 13.219 11.494 -8.070 1.00 0.00 C ATOM 337 O ALA A 22 12.463 11.351 -9.048 1.00 0.00 O ATOM 338 CB ALA A 22 15.658 12.143 -8.238 1.00 0.00 C ATOM 0 H ALA A 22 14.948 13.137 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 22 13.972 13.380 -8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.708 11.653 -9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.353 12.982 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.928 11.430 -7.459 1.00 0.00 H new ATOM 344 N ILE A 23 13.212 10.690 -7.000 1.00 0.00 N ATOM 345 CA ILE A 23 12.396 9.466 -6.898 1.00 0.00 C ATOM 346 C ILE A 23 10.915 9.832 -6.694 1.00 0.00 C ATOM 347 O ILE A 23 10.027 9.116 -7.143 1.00 0.00 O ATOM 348 CB ILE A 23 12.903 8.554 -5.719 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.458 8.395 -5.776 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.205 7.164 -5.719 1.00 0.00 C ATOM 351 CD1 ILE A 23 14.991 7.800 -7.061 1.00 0.00 C ATOM 0 H ILE A 23 13.777 10.870 -6.170 1.00 0.00 H new ATOM 0 HA ILE A 23 12.495 8.906 -7.828 1.00 0.00 H new ATOM 0 HB ILE A 23 12.637 9.049 -4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 23 14.914 9.374 -5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.775 7.767 -4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.584 6.567 -4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.129 7.297 -5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.413 6.653 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.077 7.729 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.569 6.805 -7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.711 8.436 -7.900 1.00 0.00 H new ATOM 363 N ALA A 24 10.672 10.983 -6.046 1.00 0.00 N ATOM 364 CA ALA A 24 9.309 11.483 -5.769 1.00 0.00 C ATOM 365 C ALA A 24 8.527 11.774 -7.052 1.00 0.00 C ATOM 366 O ALA A 24 7.305 11.667 -7.066 1.00 0.00 O ATOM 367 CB ALA A 24 9.363 12.747 -4.926 1.00 0.00 C ATOM 0 H ALA A 24 11.411 11.594 -5.699 1.00 0.00 H new ATOM 0 HA ALA A 24 8.792 10.693 -5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.350 13.099 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.859 12.532 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.919 13.517 -5.460 1.00 0.00 H new ATOM 373 N ARG A 25 9.241 12.199 -8.110 1.00 0.00 N ATOM 374 CA ARG A 25 8.627 12.427 -9.427 1.00 0.00 C ATOM 375 C ARG A 25 8.486 11.095 -10.185 1.00 0.00 C ATOM 376 O ARG A 25 7.480 10.864 -10.865 1.00 0.00 O ATOM 377 CB ARG A 25 9.443 13.444 -10.271 1.00 0.00 C ATOM 378 CG ARG A 25 8.766 13.803 -11.612 1.00 0.00 C ATOM 379 CD ARG A 25 9.564 14.790 -12.476 1.00 0.00 C ATOM 380 NE ARG A 25 8.882 15.018 -13.767 1.00 0.00 N ATOM 381 CZ ARG A 25 9.438 15.520 -14.876 1.00 0.00 C ATOM 382 NH1 ARG A 25 10.713 15.890 -14.892 1.00 0.00 N ATOM 383 NH2 ARG A 25 8.708 15.631 -15.978 1.00 0.00 N ATOM 0 H ARG A 25 10.242 12.391 -8.077 1.00 0.00 H new ATOM 0 HA ARG A 25 7.637 12.852 -9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.589 14.354 -9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.432 13.031 -10.470 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.605 12.887 -12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.784 14.229 -11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.678 15.736 -11.946 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.567 14.400 -12.652 1.00 0.00 H new ATOM 0 HE ARG A 25 7.894 14.769 -13.818 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.283 15.793 -14.051 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.123 16.271 -15.745 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.732 15.335 -15.975 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.123 16.012 -16.828 1.00 0.00 H new ATOM 397 N MET A 26 9.498 10.223 -10.032 1.00 0.00 N ATOM 398 CA MET A 26 9.571 8.936 -10.747 1.00 0.00 C ATOM 399 C MET A 26 8.418 7.996 -10.325 1.00 0.00 C ATOM 400 O MET A 26 7.608 7.580 -11.157 1.00 0.00 O ATOM 401 CB MET A 26 10.955 8.280 -10.479 1.00 0.00 C ATOM 402 CG MET A 26 11.195 6.936 -11.183 1.00 0.00 C ATOM 403 SD MET A 26 12.862 6.295 -10.895 1.00 0.00 S ATOM 404 CE MET A 26 12.803 4.737 -11.784 1.00 0.00 C ATOM 0 H MET A 26 10.288 10.390 -9.409 1.00 0.00 H new ATOM 0 HA MET A 26 9.462 9.116 -11.816 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.734 8.977 -10.788 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.066 8.133 -9.405 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.463 6.209 -10.831 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.035 7.056 -12.254 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.793 4.281 -11.785 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.095 4.067 -11.297 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.485 4.916 -12.811 1.00 0.00 H new ATOM 414 N VAL A 27 8.356 7.674 -9.021 1.00 0.00 N ATOM 415 CA VAL A 27 7.343 6.756 -8.461 1.00 0.00 C ATOM 416 C VAL A 27 6.045 7.493 -8.051 1.00 0.00 C ATOM 417 O VAL A 27 4.939 7.044 -8.371 1.00 0.00 O ATOM 418 CB VAL A 27 7.937 5.916 -7.258 1.00 0.00 C ATOM 419 CG1 VAL A 27 9.237 5.212 -7.698 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.193 6.757 -5.975 1.00 0.00 C ATOM 0 H VAL A 27 9.005 8.041 -8.325 1.00 0.00 H new ATOM 0 HA VAL A 27 7.070 6.060 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 27 7.179 5.179 -6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.639 4.636 -6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.024 4.543 -8.532 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.968 5.959 -8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.600 6.115 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.904 7.553 -6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.255 7.194 -5.633 1.00 0.00 H new ATOM 430 N GLY A 28 6.202 8.632 -7.345 1.00 0.00 N ATOM 431 CA GLY A 28 5.078 9.349 -6.730 1.00 0.00 C ATOM 432 C GLY A 28 4.336 10.250 -7.706 1.00 0.00 C ATOM 433 O GLY A 28 3.094 10.273 -7.713 1.00 0.00 O ATOM 0 H GLY A 28 7.108 9.074 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.379 8.625 -6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.449 9.951 -5.900 1.00 0.00 H new ATOM 437 N SER A 29 5.119 10.992 -8.528 1.00 0.00 N ATOM 438 CA SER A 29 4.624 12.030 -9.462 1.00 0.00 C ATOM 439 C SER A 29 3.778 13.108 -8.732 1.00 0.00 C ATOM 440 O SER A 29 2.911 13.747 -9.337 1.00 0.00 O ATOM 441 CB SER A 29 3.832 11.365 -10.624 1.00 0.00 C ATOM 442 OG SER A 29 4.633 10.411 -11.312 1.00 0.00 O ATOM 0 H SER A 29 6.133 10.882 -8.560 1.00 0.00 H new ATOM 0 HA SER A 29 5.485 12.549 -9.885 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.941 10.878 -10.228 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.493 12.131 -11.322 1.00 0.00 H new ATOM 0 HG SER A 29 5.580 10.585 -11.128 1.00 0.00 H new ATOM 448 N LYS A 30 4.079 13.348 -7.434 1.00 0.00 N ATOM 449 CA LYS A 30 3.225 14.178 -6.566 1.00 0.00 C ATOM 450 C LYS A 30 4.070 15.102 -5.661 1.00 0.00 C ATOM 451 O LYS A 30 4.238 16.283 -5.972 1.00 0.00 O ATOM 452 CB LYS A 30 2.280 13.262 -5.730 1.00 0.00 C ATOM 453 CG LYS A 30 1.280 14.018 -4.816 1.00 0.00 C ATOM 454 CD LYS A 30 0.436 13.073 -3.932 1.00 0.00 C ATOM 455 CE LYS A 30 -0.486 12.148 -4.748 1.00 0.00 C ATOM 456 NZ LYS A 30 -1.235 11.217 -3.874 1.00 0.00 N ATOM 0 H LYS A 30 4.908 12.977 -6.969 1.00 0.00 H new ATOM 0 HA LYS A 30 2.613 14.827 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.717 12.626 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.890 12.604 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.831 14.708 -4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.614 14.619 -5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.103 12.465 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.169 13.668 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.188 12.750 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.109 11.579 -5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.846 10.609 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.565 10.626 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.821 11.761 -3.209 1.00 0.00 H new ATOM 470 N THR A 31 4.597 14.559 -4.539 1.00 0.00 N ATOM 471 CA THR A 31 5.337 15.341 -3.519 1.00 0.00 C ATOM 472 C THR A 31 6.556 14.535 -3.007 1.00 0.00 C ATOM 473 O THR A 31 6.524 13.294 -3.002 1.00 0.00 O ATOM 474 CB THR A 31 4.377 15.728 -2.333 1.00 0.00 C ATOM 475 OG1 THR A 31 3.186 16.363 -2.848 1.00 0.00 O ATOM 476 CG2 THR A 31 5.033 16.675 -1.305 1.00 0.00 C ATOM 0 H THR A 31 4.522 13.567 -4.315 1.00 0.00 H new ATOM 0 HA THR A 31 5.706 16.261 -3.973 1.00 0.00 H new ATOM 0 HB THR A 31 4.134 14.797 -1.821 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.593 16.599 -2.104 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.319 16.903 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.911 16.193 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.333 17.598 -1.801 1.00 0.00 H new ATOM 484 N VAL A 32 7.615 15.249 -2.568 1.00 0.00 N ATOM 485 CA VAL A 32 8.867 14.633 -2.056 1.00 0.00 C ATOM 486 C VAL A 32 8.619 13.814 -0.774 1.00 0.00 C ATOM 487 O VAL A 32 9.259 12.772 -0.556 1.00 0.00 O ATOM 488 CB VAL A 32 9.994 15.709 -1.820 1.00 0.00 C ATOM 489 CG1 VAL A 32 11.291 15.080 -1.243 1.00 0.00 C ATOM 490 CG2 VAL A 32 10.292 16.485 -3.125 1.00 0.00 C ATOM 0 H VAL A 32 7.630 16.269 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 32 9.216 13.947 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 32 9.619 16.411 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.039 15.859 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.071 14.604 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.675 14.334 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.073 17.223 -2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.626 15.789 -3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.387 16.991 -3.462 1.00 0.00 H new ATOM 500 N SER A 33 7.653 14.278 0.030 1.00 0.00 N ATOM 501 CA SER A 33 7.262 13.640 1.302 1.00 0.00 C ATOM 502 C SER A 33 6.827 12.164 1.117 1.00 0.00 C ATOM 503 O SER A 33 6.949 11.368 2.040 1.00 0.00 O ATOM 504 CB SER A 33 6.127 14.460 1.954 1.00 0.00 C ATOM 505 OG SER A 33 6.498 15.827 2.113 1.00 0.00 O ATOM 0 H SER A 33 7.113 15.116 -0.184 1.00 0.00 H new ATOM 0 HA SER A 33 8.136 13.627 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.229 14.394 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.880 14.033 2.926 1.00 0.00 H new ATOM 0 HG SER A 33 5.759 16.321 2.526 1.00 0.00 H new ATOM 511 N GLN A 34 6.325 11.811 -0.085 1.00 0.00 N ATOM 512 CA GLN A 34 5.911 10.426 -0.406 1.00 0.00 C ATOM 513 C GLN A 34 7.122 9.462 -0.351 1.00 0.00 C ATOM 514 O GLN A 34 7.090 8.442 0.348 1.00 0.00 O ATOM 515 CB GLN A 34 5.223 10.380 -1.803 1.00 0.00 C ATOM 516 CG GLN A 34 4.683 9.000 -2.228 1.00 0.00 C ATOM 517 CD GLN A 34 3.673 8.404 -1.239 1.00 0.00 C ATOM 518 OE1 GLN A 34 4.038 7.672 -0.318 1.00 0.00 O ATOM 519 NE2 GLN A 34 2.399 8.731 -1.406 1.00 0.00 N ATOM 0 H GLN A 34 6.196 12.469 -0.854 1.00 0.00 H new ATOM 0 HA GLN A 34 5.191 10.097 0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.397 11.091 -1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.938 10.718 -2.553 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.211 9.090 -3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.520 8.310 -2.340 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.126 9.339 -2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.692 8.374 -0.763 1.00 0.00 H new ATOM 528 N CYS A 35 8.195 9.827 -1.074 1.00 0.00 N ATOM 529 CA CYS A 35 9.422 9.007 -1.172 1.00 0.00 C ATOM 530 C CYS A 35 10.261 9.086 0.122 1.00 0.00 C ATOM 531 O CYS A 35 10.939 8.120 0.501 1.00 0.00 O ATOM 532 CB CYS A 35 10.269 9.465 -2.374 1.00 0.00 C ATOM 533 SG CYS A 35 11.791 8.522 -2.588 1.00 0.00 S ATOM 0 H CYS A 35 8.239 10.696 -1.607 1.00 0.00 H new ATOM 0 HA CYS A 35 9.119 7.970 -1.314 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.671 9.383 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.519 10.519 -2.251 1.00 0.00 H new ATOM 0 HG CYS A 35 12.392 8.402 -1.441 1.00 0.00 H new ATOM 539 N LYS A 36 10.203 10.250 0.788 1.00 0.00 N ATOM 540 CA LYS A 36 10.995 10.539 1.997 1.00 0.00 C ATOM 541 C LYS A 36 10.429 9.792 3.224 1.00 0.00 C ATOM 542 O LYS A 36 11.176 9.151 3.965 1.00 0.00 O ATOM 543 CB LYS A 36 11.020 12.070 2.237 1.00 0.00 C ATOM 544 CG LYS A 36 11.801 12.527 3.490 1.00 0.00 C ATOM 545 CD LYS A 36 11.897 14.066 3.606 1.00 0.00 C ATOM 546 CE LYS A 36 10.517 14.752 3.631 1.00 0.00 C ATOM 547 NZ LYS A 36 10.631 16.217 3.813 1.00 0.00 N ATOM 0 H LYS A 36 9.602 11.023 0.502 1.00 0.00 H new ATOM 0 HA LYS A 36 12.015 10.185 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.455 12.552 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.993 12.426 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.315 12.129 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.806 12.106 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.442 14.324 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.475 14.453 2.767 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.990 14.542 2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.917 14.332 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.681 16.640 3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.111 16.419 4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.181 16.622 3.029 1.00 0.00 H new ATOM 561 N ASN A 37 9.100 9.872 3.411 1.00 0.00 N ATOM 562 CA ASN A 37 8.394 9.223 4.548 1.00 0.00 C ATOM 563 C ASN A 37 8.284 7.706 4.335 1.00 0.00 C ATOM 564 O ASN A 37 8.063 6.956 5.296 1.00 0.00 O ATOM 565 CB ASN A 37 6.999 9.860 4.795 1.00 0.00 C ATOM 566 CG ASN A 37 7.062 11.337 5.219 1.00 0.00 C ATOM 567 OD1 ASN A 37 7.966 12.079 4.826 1.00 0.00 O ATOM 568 ND2 ASN A 37 6.101 11.776 6.019 1.00 0.00 N ATOM 0 H ASN A 37 8.480 10.385 2.785 1.00 0.00 H new ATOM 0 HA ASN A 37 8.990 9.393 5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.405 9.777 3.885 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.481 9.291 5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.097 12.749 6.325 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.366 11.141 6.329 1.00 0.00 H new ATOM 575 N PHE A 38 8.426 7.261 3.063 1.00 0.00 N ATOM 576 CA PHE A 38 8.544 5.826 2.717 1.00 0.00 C ATOM 577 C PHE A 38 9.764 5.215 3.428 1.00 0.00 C ATOM 578 O PHE A 38 9.721 4.090 3.892 1.00 0.00 O ATOM 579 CB PHE A 38 8.697 5.626 1.182 1.00 0.00 C ATOM 580 CG PHE A 38 8.729 4.156 0.737 1.00 0.00 C ATOM 581 CD1 PHE A 38 7.571 3.381 0.750 1.00 0.00 C ATOM 582 CD2 PHE A 38 9.919 3.548 0.318 1.00 0.00 C ATOM 583 CE1 PHE A 38 7.596 2.053 0.358 1.00 0.00 C ATOM 584 CE2 PHE A 38 9.941 2.218 -0.074 1.00 0.00 C ATOM 585 CZ PHE A 38 8.778 1.472 -0.054 1.00 0.00 C ATOM 0 H PHE A 38 8.462 7.882 2.255 1.00 0.00 H new ATOM 0 HA PHE A 38 7.632 5.328 3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.872 6.128 0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.615 6.113 0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.639 3.823 1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.833 4.123 0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.687 1.470 0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.867 1.765 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 38 8.794 0.436 -0.360 1.00 0.00 H new ATOM 595 N TYR A 39 10.838 6.009 3.510 1.00 0.00 N ATOM 596 CA TYR A 39 12.134 5.596 4.085 1.00 0.00 C ATOM 597 C TYR A 39 12.057 5.449 5.628 1.00 0.00 C ATOM 598 O TYR A 39 12.911 4.803 6.236 1.00 0.00 O ATOM 599 CB TYR A 39 13.200 6.644 3.684 1.00 0.00 C ATOM 600 CG TYR A 39 14.664 6.227 3.884 1.00 0.00 C ATOM 601 CD1 TYR A 39 15.204 5.175 3.142 1.00 0.00 C ATOM 602 CD2 TYR A 39 15.517 6.915 4.759 1.00 0.00 C ATOM 603 CE1 TYR A 39 16.536 4.822 3.269 1.00 0.00 C ATOM 604 CE2 TYR A 39 16.846 6.559 4.893 1.00 0.00 C ATOM 605 CZ TYR A 39 17.352 5.519 4.144 1.00 0.00 C ATOM 606 OH TYR A 39 18.678 5.171 4.275 1.00 0.00 O ATOM 0 H TYR A 39 10.836 6.972 3.175 1.00 0.00 H new ATOM 0 HA TYR A 39 12.405 4.616 3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.055 6.896 2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.021 7.553 4.258 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.572 4.628 2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.128 7.739 5.339 1.00 0.00 H new ATOM 0 HE1 TYR A 39 16.938 4.005 2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.484 7.093 5.581 1.00 0.00 H new ATOM 0 HH TYR A 39 19.108 5.761 4.929 1.00 0.00 H new ATOM 616 N PHE A 40 11.025 6.060 6.248 1.00 0.00 N ATOM 617 CA PHE A 40 10.815 6.014 7.716 1.00 0.00 C ATOM 618 C PHE A 40 10.271 4.629 8.161 1.00 0.00 C ATOM 619 O PHE A 40 10.287 4.308 9.355 1.00 0.00 O ATOM 620 CB PHE A 40 9.841 7.149 8.163 1.00 0.00 C ATOM 621 CG PHE A 40 10.292 8.595 7.888 1.00 0.00 C ATOM 622 CD1 PHE A 40 11.531 8.896 7.307 1.00 0.00 C ATOM 623 CD2 PHE A 40 9.455 9.663 8.213 1.00 0.00 C ATOM 624 CE1 PHE A 40 11.911 10.207 7.073 1.00 0.00 C ATOM 625 CE2 PHE A 40 9.838 10.971 7.977 1.00 0.00 C ATOM 626 CZ PHE A 40 11.062 11.244 7.406 1.00 0.00 C ATOM 0 H PHE A 40 10.315 6.597 5.750 1.00 0.00 H new ATOM 0 HA PHE A 40 11.780 6.169 8.199 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.884 6.991 7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.666 7.045 9.234 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.200 8.093 7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.491 9.465 8.657 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.873 10.419 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.175 11.782 8.241 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.357 12.266 7.219 1.00 0.00 H new ATOM 636 N ASN A 41 9.802 3.826 7.189 1.00 0.00 N ATOM 637 CA ASN A 41 9.225 2.483 7.431 1.00 0.00 C ATOM 638 C ASN A 41 9.647 1.516 6.308 1.00 0.00 C ATOM 639 O ASN A 41 10.200 1.948 5.301 1.00 0.00 O ATOM 640 CB ASN A 41 7.672 2.545 7.552 1.00 0.00 C ATOM 641 CG ASN A 41 6.924 3.033 6.294 1.00 0.00 C ATOM 642 OD1 ASN A 41 7.403 4.096 5.657 1.00 0.00 O flip ATOM 643 ND2 ASN A 41 5.870 2.497 5.947 1.00 0.00 N flip ATOM 0 H ASN A 41 9.811 4.089 6.204 1.00 0.00 H new ATOM 0 HA ASN A 41 9.613 2.112 8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.306 1.551 7.808 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.416 3.203 8.383 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.522 1.682 6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.345 2.869 5.155 1.00 0.00 H new ATOM 650 N TYR A 42 9.452 0.187 6.537 1.00 0.00 N ATOM 651 CA TYR A 42 9.759 -0.888 5.540 1.00 0.00 C ATOM 652 C TYR A 42 11.291 -0.996 5.241 1.00 0.00 C ATOM 653 O TYR A 42 11.724 -1.850 4.464 1.00 0.00 O ATOM 654 CB TYR A 42 8.908 -0.673 4.238 1.00 0.00 C ATOM 655 CG TYR A 42 8.934 -1.825 3.217 1.00 0.00 C ATOM 656 CD1 TYR A 42 8.269 -3.030 3.474 1.00 0.00 C ATOM 657 CD2 TYR A 42 9.613 -1.713 1.998 1.00 0.00 C ATOM 658 CE1 TYR A 42 8.286 -4.069 2.561 1.00 0.00 C ATOM 659 CE2 TYR A 42 9.631 -2.754 1.083 1.00 0.00 C ATOM 660 CZ TYR A 42 8.964 -3.928 1.370 1.00 0.00 C ATOM 661 OH TYR A 42 8.980 -4.966 0.460 1.00 0.00 O ATOM 0 H TYR A 42 9.078 -0.172 7.415 1.00 0.00 H new ATOM 0 HA TYR A 42 9.475 -1.847 5.973 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.873 -0.496 4.530 1.00 0.00 H new ATOM 0 HB3 TYR A 42 9.260 0.232 3.743 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.732 -3.151 4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.134 -0.796 1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.768 -4.991 2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.164 -2.647 0.150 1.00 0.00 H new ATOM 0 HH TYR A 42 9.501 -4.703 -0.327 1.00 0.00 H new ATOM 671 N LYS A 43 12.095 -0.177 5.940 1.00 0.00 N ATOM 672 CA LYS A 43 13.536 0.011 5.682 1.00 0.00 C ATOM 673 C LYS A 43 14.379 -1.116 6.328 1.00 0.00 C ATOM 674 O LYS A 43 15.565 -1.259 6.035 1.00 0.00 O ATOM 675 CB LYS A 43 13.946 1.419 6.218 1.00 0.00 C ATOM 676 CG LYS A 43 15.421 1.828 5.986 1.00 0.00 C ATOM 677 CD LYS A 43 15.739 3.252 6.505 1.00 0.00 C ATOM 678 CE LYS A 43 15.489 3.430 8.011 1.00 0.00 C ATOM 679 NZ LYS A 43 16.365 2.559 8.831 1.00 0.00 N ATOM 0 H LYS A 43 11.755 0.387 6.719 1.00 0.00 H new ATOM 0 HA LYS A 43 13.730 -0.042 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.304 2.165 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.744 1.452 7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.074 1.111 6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.644 1.777 4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.782 3.484 6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.132 3.973 5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.656 4.472 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.446 3.206 8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.173 2.725 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.176 1.562 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.361 2.778 8.627 1.00 0.00 H new ATOM 693 N LYS A 44 13.764 -1.902 7.223 1.00 0.00 N ATOM 694 CA LYS A 44 14.400 -3.098 7.818 1.00 0.00 C ATOM 695 C LYS A 44 14.150 -4.329 6.920 1.00 0.00 C ATOM 696 O LYS A 44 14.987 -5.241 6.847 1.00 0.00 O ATOM 697 CB LYS A 44 13.868 -3.321 9.263 1.00 0.00 C ATOM 698 CG LYS A 44 14.406 -4.565 10.045 1.00 0.00 C ATOM 699 CD LYS A 44 15.901 -4.478 10.499 1.00 0.00 C ATOM 700 CE LYS A 44 16.928 -4.883 9.414 1.00 0.00 C ATOM 701 NZ LYS A 44 18.308 -4.989 9.946 1.00 0.00 N ATOM 0 H LYS A 44 12.815 -1.732 7.557 1.00 0.00 H new ATOM 0 HA LYS A 44 15.477 -2.945 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.098 -2.430 9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.782 -3.398 9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.784 -4.715 10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.286 -5.448 9.417 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.112 -3.457 10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.041 -5.118 11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.635 -5.839 8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.909 -4.149 8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.955 -5.262 9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.601 -4.071 10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.336 -5.708 10.696 1.00 0.00 H new ATOM 715 N ARG A 45 12.995 -4.332 6.227 1.00 0.00 N ATOM 716 CA ARG A 45 12.623 -5.402 5.286 1.00 0.00 C ATOM 717 C ARG A 45 13.401 -5.233 3.964 1.00 0.00 C ATOM 718 O ARG A 45 12.939 -4.534 3.051 1.00 0.00 O ATOM 719 CB ARG A 45 11.088 -5.409 5.052 1.00 0.00 C ATOM 720 CG ARG A 45 10.259 -5.732 6.314 1.00 0.00 C ATOM 721 CD ARG A 45 8.752 -5.835 6.022 1.00 0.00 C ATOM 722 NE ARG A 45 8.451 -6.833 4.980 1.00 0.00 N ATOM 723 CZ ARG A 45 7.226 -7.155 4.537 1.00 0.00 C ATOM 724 NH1 ARG A 45 6.136 -6.587 5.044 1.00 0.00 N ATOM 725 NH2 ARG A 45 7.105 -8.048 3.573 1.00 0.00 N ATOM 0 H ARG A 45 12.296 -3.593 6.305 1.00 0.00 H new ATOM 0 HA ARG A 45 12.892 -6.368 5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.785 -4.434 4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.853 -6.140 4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.607 -6.672 6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.428 -4.958 7.063 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.224 -6.099 6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.378 -4.861 5.708 1.00 0.00 H new ATOM 0 HE ARG A 45 9.242 -7.321 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.221 -5.891 5.785 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.215 -6.847 4.692 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.937 -8.484 3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.180 -8.302 3.227 1.00 0.00 H new ATOM 739 N GLN A 46 14.590 -5.891 3.900 1.00 0.00 N ATOM 740 CA GLN A 46 15.601 -5.711 2.836 1.00 0.00 C ATOM 741 C GLN A 46 16.058 -4.242 2.820 1.00 0.00 C ATOM 742 O GLN A 46 15.491 -3.419 2.091 1.00 0.00 O ATOM 743 CB GLN A 46 15.116 -6.184 1.421 1.00 0.00 C ATOM 744 CG GLN A 46 14.891 -7.708 1.259 1.00 0.00 C ATOM 745 CD GLN A 46 13.661 -8.248 1.998 1.00 0.00 C ATOM 746 OE1 GLN A 46 12.557 -8.255 1.459 1.00 0.00 O ATOM 747 NE2 GLN A 46 13.842 -8.698 3.231 1.00 0.00 N ATOM 0 H GLN A 46 14.873 -6.574 4.603 1.00 0.00 H new ATOM 0 HA GLN A 46 16.447 -6.357 3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.183 -5.671 1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 46 15.849 -5.864 0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.792 -7.938 0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.776 -8.234 1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.772 -8.678 3.650 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.051 -9.064 3.761 1.00 0.00 H new ATOM 756 N ASN A 47 17.062 -3.917 3.672 1.00 0.00 N ATOM 757 CA ASN A 47 17.473 -2.526 3.924 1.00 0.00 C ATOM 758 C ASN A 47 17.934 -1.842 2.623 1.00 0.00 C ATOM 759 O ASN A 47 18.769 -2.369 1.875 1.00 0.00 O ATOM 760 CB ASN A 47 18.537 -2.429 5.068 1.00 0.00 C ATOM 761 CG ASN A 47 19.901 -3.042 4.747 1.00 0.00 C ATOM 762 OD1 ASN A 47 20.856 -2.210 4.349 1.00 0.00 O flip ATOM 763 ND2 ASN A 47 20.107 -4.242 4.895 1.00 0.00 N flip ATOM 0 H ASN A 47 17.600 -4.608 4.195 1.00 0.00 H new ATOM 0 HA ASN A 47 16.600 -1.979 4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 47 18.680 -1.378 5.320 1.00 0.00 H new ATOM 0 HB3 ASN A 47 18.137 -2.919 5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 47 19.352 -4.855 5.202 1.00 0.00 H new ATOM 0 HD22 ASN A 47 21.033 -4.627 4.711 1.00 0.00 H new ATOM 770 N LEU A 48 17.322 -0.675 2.360 1.00 0.00 N ATOM 771 CA LEU A 48 17.486 0.107 1.120 1.00 0.00 C ATOM 772 C LEU A 48 18.943 0.610 0.974 1.00 0.00 C ATOM 773 O LEU A 48 19.415 0.883 -0.133 1.00 0.00 O ATOM 774 CB LEU A 48 16.416 1.256 1.140 1.00 0.00 C ATOM 775 CG LEU A 48 16.157 2.085 -0.170 1.00 0.00 C ATOM 776 CD1 LEU A 48 17.103 3.288 -0.300 1.00 0.00 C ATOM 777 CD2 LEU A 48 16.204 1.195 -1.430 1.00 0.00 C ATOM 0 H LEU A 48 16.682 -0.236 3.022 1.00 0.00 H new ATOM 0 HA LEU A 48 17.313 -0.506 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.466 0.815 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.704 1.959 1.922 1.00 0.00 H new ATOM 0 HG LEU A 48 15.146 2.485 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.882 3.827 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.964 3.954 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.135 2.938 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.020 1.806 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.186 0.728 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.439 0.422 -1.358 1.00 0.00 H new ATOM 789 N ASP A 49 19.654 0.683 2.114 1.00 0.00 N ATOM 790 CA ASP A 49 21.094 1.002 2.160 1.00 0.00 C ATOM 791 C ASP A 49 21.933 -0.092 1.452 1.00 0.00 C ATOM 792 O ASP A 49 22.906 0.226 0.763 1.00 0.00 O ATOM 793 CB ASP A 49 21.547 1.159 3.629 1.00 0.00 C ATOM 794 CG ASP A 49 23.042 1.523 3.778 1.00 0.00 C ATOM 795 OD1 ASP A 49 23.392 2.712 3.612 1.00 0.00 O ATOM 796 OD2 ASP A 49 23.864 0.625 4.054 1.00 0.00 O ATOM 0 H ASP A 49 19.244 0.522 3.034 1.00 0.00 H new ATOM 0 HA ASP A 49 21.256 1.941 1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 49 20.944 1.931 4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 49 21.353 0.228 4.162 1.00 0.00 H new ATOM 801 N GLU A 50 21.534 -1.375 1.624 1.00 0.00 N ATOM 802 CA GLU A 50 22.236 -2.535 1.017 1.00 0.00 C ATOM 803 C GLU A 50 22.013 -2.561 -0.497 1.00 0.00 C ATOM 804 O GLU A 50 22.896 -2.955 -1.248 1.00 0.00 O ATOM 805 CB GLU A 50 21.763 -3.879 1.648 1.00 0.00 C ATOM 806 CG GLU A 50 22.605 -5.111 1.251 1.00 0.00 C ATOM 807 CD GLU A 50 22.170 -6.404 1.967 1.00 0.00 C ATOM 808 OE1 GLU A 50 22.451 -6.550 3.179 1.00 0.00 O ATOM 809 OE2 GLU A 50 21.552 -7.284 1.326 1.00 0.00 O ATOM 0 H GLU A 50 20.722 -1.636 2.183 1.00 0.00 H new ATOM 0 HA GLU A 50 23.301 -2.421 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 50 21.778 -3.780 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.727 -4.056 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 50 22.533 -5.259 0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 50 23.653 -4.914 1.477 1.00 0.00 H new ATOM 816 N ILE A 51 20.818 -2.131 -0.920 1.00 0.00 N ATOM 817 CA ILE A 51 20.452 -2.027 -2.348 1.00 0.00 C ATOM 818 C ILE A 51 21.373 -1.001 -3.049 1.00 0.00 C ATOM 819 O ILE A 51 21.899 -1.255 -4.140 1.00 0.00 O ATOM 820 CB ILE A 51 18.933 -1.628 -2.485 1.00 0.00 C ATOM 821 CG1 ILE A 51 18.038 -2.700 -1.770 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.508 -1.435 -3.964 1.00 0.00 C ATOM 823 CD1 ILE A 51 16.539 -2.423 -1.774 1.00 0.00 C ATOM 0 H ILE A 51 20.073 -1.844 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 51 20.589 -2.993 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 51 18.792 -0.664 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.211 -3.666 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.369 -2.790 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.454 -1.161 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.107 -0.644 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 51 18.664 -2.364 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.019 -3.227 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.342 -1.477 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.182 -2.366 -2.802 1.00 0.00 H new ATOM 835 N LEU A 52 21.598 0.133 -2.370 1.00 0.00 N ATOM 836 CA LEU A 52 22.533 1.182 -2.833 1.00 0.00 C ATOM 837 C LEU A 52 23.996 0.705 -2.767 1.00 0.00 C ATOM 838 O LEU A 52 24.804 1.058 -3.632 1.00 0.00 O ATOM 839 CB LEU A 52 22.339 2.497 -2.009 1.00 0.00 C ATOM 840 CG LEU A 52 21.310 3.514 -2.574 1.00 0.00 C ATOM 841 CD1 LEU A 52 21.790 4.066 -3.931 1.00 0.00 C ATOM 842 CD2 LEU A 52 19.903 2.894 -2.678 1.00 0.00 C ATOM 0 H LEU A 52 21.140 0.354 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 52 22.304 1.392 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 52 22.034 2.226 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 52 23.305 2.996 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 52 21.237 4.349 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 52 21.058 4.777 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.749 4.567 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 52 21.902 3.245 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 52 19.208 3.633 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 52 19.934 2.030 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.570 2.580 -1.689 1.00 0.00 H new ATOM 854 N GLN A 53 24.320 -0.106 -1.744 1.00 0.00 N ATOM 855 CA GLN A 53 25.680 -0.629 -1.536 1.00 0.00 C ATOM 856 C GLN A 53 26.031 -1.660 -2.626 1.00 0.00 C ATOM 857 O GLN A 53 27.157 -1.692 -3.094 1.00 0.00 O ATOM 858 CB GLN A 53 25.837 -1.249 -0.119 1.00 0.00 C ATOM 859 CG GLN A 53 27.244 -1.811 0.186 1.00 0.00 C ATOM 860 CD GLN A 53 28.359 -0.756 0.129 1.00 0.00 C ATOM 861 OE1 GLN A 53 28.952 -0.510 -0.923 1.00 0.00 O ATOM 862 NE2 GLN A 53 28.659 -0.136 1.260 1.00 0.00 N ATOM 0 H GLN A 53 23.649 -0.416 -1.041 1.00 0.00 H new ATOM 0 HA GLN A 53 26.377 0.206 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.595 -0.489 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 53 25.107 -2.051 -0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.237 -2.265 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.470 -2.604 -0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.151 -0.361 2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.398 0.566 1.276 1.00 0.00 H new ATOM 871 N GLN A 54 25.046 -2.469 -3.041 1.00 0.00 N ATOM 872 CA GLN A 54 25.218 -3.468 -4.120 1.00 0.00 C ATOM 873 C GLN A 54 25.463 -2.762 -5.461 1.00 0.00 C ATOM 874 O GLN A 54 26.323 -3.182 -6.234 1.00 0.00 O ATOM 875 CB GLN A 54 23.985 -4.412 -4.208 1.00 0.00 C ATOM 876 CG GLN A 54 23.835 -5.386 -3.014 1.00 0.00 C ATOM 877 CD GLN A 54 24.835 -6.556 -2.998 1.00 0.00 C ATOM 878 OE1 GLN A 54 25.957 -6.465 -3.498 1.00 0.00 O ATOM 879 NE2 GLN A 54 24.441 -7.660 -2.383 1.00 0.00 N ATOM 0 H GLN A 54 24.107 -2.454 -2.643 1.00 0.00 H new ATOM 0 HA GLN A 54 26.088 -4.081 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.083 -3.805 -4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.053 -4.993 -5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 54 23.945 -4.821 -2.088 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.824 -5.792 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.507 -7.712 -1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.072 -8.459 -2.316 1.00 0.00 H new ATOM 888 N HIS A 55 24.721 -1.662 -5.694 1.00 0.00 N ATOM 889 CA HIS A 55 24.891 -0.823 -6.895 1.00 0.00 C ATOM 890 C HIS A 55 26.273 -0.153 -6.886 1.00 0.00 C ATOM 891 O HIS A 55 26.908 -0.015 -7.930 1.00 0.00 O ATOM 892 CB HIS A 55 23.789 0.256 -6.971 1.00 0.00 C ATOM 893 CG HIS A 55 23.763 1.033 -8.268 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.731 2.409 -8.331 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.709 0.607 -9.554 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.658 2.794 -9.589 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.640 1.719 -10.355 1.00 0.00 N ATOM 0 H HIS A 55 23.993 -1.332 -5.060 1.00 0.00 H new ATOM 0 HA HIS A 55 24.810 -1.466 -7.771 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.820 -0.222 -6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.925 0.955 -6.146 1.00 0.00 H new ATOM 0 HD2 HIS A 55 23.719 -0.420 -9.887 1.00 0.00 H new ATOM 0 HE1 HIS A 55 23.619 3.816 -9.935 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.584 1.716 -11.373 1.00 0.00 H new ATOM 906 N LYS A 56 26.722 0.242 -5.681 1.00 0.00 N ATOM 907 CA LYS A 56 28.015 0.909 -5.486 1.00 0.00 C ATOM 908 C LYS A 56 29.170 -0.058 -5.781 1.00 0.00 C ATOM 909 O LYS A 56 29.925 0.174 -6.707 1.00 0.00 O ATOM 910 CB LYS A 56 28.142 1.497 -4.050 1.00 0.00 C ATOM 911 CG LYS A 56 29.557 2.034 -3.702 1.00 0.00 C ATOM 912 CD LYS A 56 29.627 2.761 -2.339 1.00 0.00 C ATOM 913 CE LYS A 56 31.078 3.119 -1.947 1.00 0.00 C ATOM 914 NZ LYS A 56 31.804 3.852 -3.029 1.00 0.00 N ATOM 0 H LYS A 56 26.196 0.106 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 56 28.070 1.740 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 56 27.421 2.306 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.871 0.726 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 56 30.261 1.202 -3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.879 2.719 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 56 29.028 3.671 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.189 2.128 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.066 3.730 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 56 31.621 2.205 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.576 4.410 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 32.198 3.169 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.144 4.487 -3.521 1.00 0.00 H new ATOM 928 N LEU A 57 29.255 -1.162 -5.010 1.00 0.00 N ATOM 929 CA LEU A 57 30.401 -2.102 -5.041 1.00 0.00 C ATOM 930 C LEU A 57 30.550 -2.764 -6.416 1.00 0.00 C ATOM 931 O LEU A 57 31.674 -2.979 -6.875 1.00 0.00 O ATOM 932 CB LEU A 57 30.304 -3.158 -3.888 1.00 0.00 C ATOM 933 CG LEU A 57 29.097 -4.179 -3.903 1.00 0.00 C ATOM 934 CD1 LEU A 57 29.388 -5.456 -4.730 1.00 0.00 C ATOM 935 CD2 LEU A 57 28.655 -4.555 -2.467 1.00 0.00 C ATOM 0 H LEU A 57 28.529 -1.430 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 57 31.308 -1.522 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 57 31.228 -3.736 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.268 -2.616 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 57 28.277 -3.660 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 57 28.520 -6.115 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.598 -5.180 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 57 30.251 -5.973 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 57 27.824 -5.258 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 57 29.490 -5.015 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 57 28.340 -3.657 -1.936 1.00 0.00 H new ATOM 947 N LYS A 58 29.406 -3.063 -7.072 1.00 0.00 N ATOM 948 CA LYS A 58 29.396 -3.603 -8.445 1.00 0.00 C ATOM 949 C LYS A 58 29.980 -2.572 -9.420 1.00 0.00 C ATOM 950 O LYS A 58 31.024 -2.825 -10.034 1.00 0.00 O ATOM 951 CB LYS A 58 27.956 -4.008 -8.886 1.00 0.00 C ATOM 952 CG LYS A 58 27.476 -5.375 -8.345 1.00 0.00 C ATOM 953 CD LYS A 58 26.040 -5.750 -8.804 1.00 0.00 C ATOM 954 CE LYS A 58 25.861 -5.716 -10.339 1.00 0.00 C ATOM 955 NZ LYS A 58 26.810 -6.612 -11.059 1.00 0.00 N ATOM 0 H LYS A 58 28.477 -2.938 -6.669 1.00 0.00 H new ATOM 0 HA LYS A 58 30.014 -4.501 -8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 58 27.259 -3.237 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 58 27.916 -4.029 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 58 28.168 -6.151 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.509 -5.358 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.798 -6.748 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.329 -5.062 -8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 58 24.839 -6.005 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.997 -4.694 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 26.641 -6.546 -12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 27.787 -6.323 -10.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 26.665 -7.594 -10.747 1.00 0.00 H new ATOM 969 N MET A 59 29.336 -1.386 -9.491 1.00 0.00 N ATOM 970 CA MET A 59 29.720 -0.309 -10.438 1.00 0.00 C ATOM 971 C MET A 59 31.166 0.159 -10.194 1.00 0.00 C ATOM 972 O MET A 59 31.863 0.531 -11.125 1.00 0.00 O ATOM 973 CB MET A 59 28.736 0.889 -10.340 1.00 0.00 C ATOM 974 CG MET A 59 29.103 2.119 -11.189 1.00 0.00 C ATOM 975 SD MET A 59 27.844 3.420 -11.138 1.00 0.00 S ATOM 976 CE MET A 59 26.510 2.674 -12.075 1.00 0.00 C ATOM 0 H MET A 59 28.541 -1.147 -8.899 1.00 0.00 H new ATOM 0 HA MET A 59 29.665 -0.719 -11.446 1.00 0.00 H new ATOM 0 HB2 MET A 59 27.744 0.547 -10.637 1.00 0.00 H new ATOM 0 HB3 MET A 59 28.668 1.197 -9.297 1.00 0.00 H new ATOM 0 HG2 MET A 59 30.051 2.526 -10.838 1.00 0.00 H new ATOM 0 HG3 MET A 59 29.253 1.808 -12.223 1.00 0.00 H new ATOM 0 HE1 MET A 59 25.752 3.427 -12.292 1.00 0.00 H new ATOM 0 HE2 MET A 59 26.902 2.274 -13.010 1.00 0.00 H new ATOM 0 HE3 MET A 59 26.064 1.867 -11.494 1.00 0.00 H new ATOM 986 N GLU A 60 31.593 0.073 -8.934 1.00 0.00 N ATOM 987 CA GLU A 60 32.924 0.500 -8.490 1.00 0.00 C ATOM 988 C GLU A 60 33.999 -0.394 -9.129 1.00 0.00 C ATOM 989 O GLU A 60 34.819 0.070 -9.920 1.00 0.00 O ATOM 990 CB GLU A 60 33.000 0.413 -6.940 1.00 0.00 C ATOM 991 CG GLU A 60 34.213 1.097 -6.297 1.00 0.00 C ATOM 992 CD GLU A 60 34.170 2.631 -6.398 1.00 0.00 C ATOM 993 OE1 GLU A 60 33.408 3.267 -5.621 1.00 0.00 O ATOM 994 OE2 GLU A 60 34.911 3.213 -7.222 1.00 0.00 O ATOM 0 H GLU A 60 31.017 -0.301 -8.180 1.00 0.00 H new ATOM 0 HA GLU A 60 33.101 1.530 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.094 0.854 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 60 33.004 -0.638 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 60 34.269 0.810 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 60 35.122 0.734 -6.775 1.00 0.00 H new ATOM 1001 N LYS A 61 33.909 -1.706 -8.835 1.00 0.00 N ATOM 1002 CA LYS A 61 34.946 -2.681 -9.203 1.00 0.00 C ATOM 1003 C LYS A 61 34.970 -2.949 -10.716 1.00 0.00 C ATOM 1004 O LYS A 61 36.040 -3.165 -11.286 1.00 0.00 O ATOM 1005 CB LYS A 61 34.761 -3.995 -8.390 1.00 0.00 C ATOM 1006 CG LYS A 61 33.508 -4.838 -8.741 1.00 0.00 C ATOM 1007 CD LYS A 61 33.196 -5.942 -7.690 1.00 0.00 C ATOM 1008 CE LYS A 61 34.376 -6.901 -7.443 1.00 0.00 C ATOM 1009 NZ LYS A 61 34.794 -7.620 -8.679 1.00 0.00 N ATOM 0 H LYS A 61 33.118 -2.115 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 61 35.916 -2.254 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 61 35.645 -4.616 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 61 34.719 -3.741 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 61 32.646 -4.176 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 61 33.653 -5.304 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.918 -5.469 -6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.333 -6.518 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 61 35.222 -6.337 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 61 34.096 -7.628 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 35.590 -8.252 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 33.996 -8.180 -9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 35.088 -6.930 -9.400 1.00 0.00 H new ATOM 1023 N GLU A 62 33.785 -2.905 -11.367 1.00 0.00 N ATOM 1024 CA GLU A 62 33.668 -3.151 -12.824 1.00 0.00 C ATOM 1025 C GLU A 62 34.148 -1.923 -13.624 1.00 0.00 C ATOM 1026 O GLU A 62 34.682 -2.075 -14.728 1.00 0.00 O ATOM 1027 CB GLU A 62 32.221 -3.564 -13.227 1.00 0.00 C ATOM 1028 CG GLU A 62 31.146 -2.462 -13.124 1.00 0.00 C ATOM 1029 CD GLU A 62 29.717 -2.979 -13.384 1.00 0.00 C ATOM 1030 OE1 GLU A 62 29.061 -3.466 -12.434 1.00 0.00 O ATOM 1031 OE2 GLU A 62 29.249 -2.925 -14.543 1.00 0.00 O ATOM 0 H GLU A 62 32.897 -2.702 -10.908 1.00 0.00 H new ATOM 0 HA GLU A 62 34.317 -3.991 -13.072 1.00 0.00 H new ATOM 0 HB2 GLU A 62 32.242 -3.928 -14.254 1.00 0.00 H new ATOM 0 HB3 GLU A 62 31.916 -4.401 -12.599 1.00 0.00 H new ATOM 0 HG2 GLU A 62 31.188 -2.015 -12.131 1.00 0.00 H new ATOM 0 HG3 GLU A 62 31.375 -1.672 -13.839 1.00 0.00 H new ATOM 1038 N ARG A 63 33.974 -0.712 -13.039 1.00 0.00 N ATOM 1039 CA ARG A 63 34.480 0.544 -13.632 1.00 0.00 C ATOM 1040 C ARG A 63 36.012 0.548 -13.602 1.00 0.00 C ATOM 1041 O ARG A 63 36.649 0.681 -14.640 1.00 0.00 O ATOM 1042 CB ARG A 63 33.924 1.792 -12.891 1.00 0.00 C ATOM 1043 CG ARG A 63 34.469 3.151 -13.386 1.00 0.00 C ATOM 1044 CD ARG A 63 33.788 4.348 -12.699 1.00 0.00 C ATOM 1045 NE ARG A 63 32.339 4.397 -12.985 1.00 0.00 N ATOM 1046 CZ ARG A 63 31.427 5.098 -12.290 1.00 0.00 C ATOM 1047 NH1 ARG A 63 31.768 5.804 -11.219 1.00 0.00 N ATOM 1048 NH2 ARG A 63 30.159 5.075 -12.676 1.00 0.00 N ATOM 0 H ARG A 63 33.485 -0.582 -12.154 1.00 0.00 H new ATOM 0 HA ARG A 63 34.135 0.595 -14.665 1.00 0.00 H new ATOM 0 HB2 ARG A 63 32.838 1.798 -12.987 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.149 1.694 -11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 63 35.543 3.195 -13.204 1.00 0.00 H new ATOM 0 HG3 ARG A 63 34.325 3.225 -14.464 1.00 0.00 H new ATOM 0 HD2 ARG A 63 33.943 4.285 -11.622 1.00 0.00 H new ATOM 0 HD3 ARG A 63 34.256 5.273 -13.035 1.00 0.00 H new ATOM 0 HE ARG A 63 32.002 3.852 -13.778 1.00 0.00 H new ATOM 0 HH11 ARG A 63 32.739 5.822 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 63 31.059 6.329 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 63 29.884 4.529 -13.493 1.00 0.00 H new ATOM 0 HH22 ARG A 63 29.458 5.603 -12.156 1.00 0.00 H new ATOM 1062 N ASN A 64 36.588 0.354 -12.401 1.00 0.00 N ATOM 1063 CA ASN A 64 38.052 0.328 -12.216 1.00 0.00 C ATOM 1064 C ASN A 64 38.699 -0.800 -13.045 1.00 0.00 C ATOM 1065 O ASN A 64 39.818 -0.633 -13.521 1.00 0.00 O ATOM 1066 CB ASN A 64 38.447 0.215 -10.718 1.00 0.00 C ATOM 1067 CG ASN A 64 38.213 1.520 -9.942 1.00 0.00 C ATOM 1068 OD1 ASN A 64 39.058 2.416 -9.958 1.00 0.00 O ATOM 1069 ND2 ASN A 64 37.093 1.634 -9.246 1.00 0.00 N ATOM 0 H ASN A 64 36.059 0.212 -11.540 1.00 0.00 H new ATOM 0 HA ASN A 64 38.437 1.280 -12.581 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.872 -0.586 -10.254 1.00 0.00 H new ATOM 0 HB3 ASN A 64 39.498 -0.063 -10.644 1.00 0.00 H new ATOM 0 HD21 ASN A 64 36.913 2.480 -8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 64 36.410 0.876 -9.251 1.00 0.00 H new ATOM 1076 N ALA A 65 37.960 -1.917 -13.241 1.00 0.00 N ATOM 1077 CA ALA A 65 38.407 -3.050 -14.081 1.00 0.00 C ATOM 1078 C ALA A 65 38.557 -2.620 -15.556 1.00 0.00 C ATOM 1079 O ALA A 65 39.611 -2.820 -16.161 1.00 0.00 O ATOM 1080 CB ALA A 65 37.434 -4.238 -13.958 1.00 0.00 C ATOM 0 H ALA A 65 37.040 -2.057 -12.822 1.00 0.00 H new ATOM 0 HA ALA A 65 39.385 -3.369 -13.721 1.00 0.00 H new ATOM 0 HB1 ALA A 65 37.782 -5.060 -14.584 1.00 0.00 H new ATOM 0 HB2 ALA A 65 37.390 -4.566 -12.920 1.00 0.00 H new ATOM 0 HB3 ALA A 65 36.440 -3.930 -14.283 1.00 0.00 H new ATOM 1086 N ARG A 66 37.502 -1.993 -16.113 1.00 0.00 N ATOM 1087 CA ARG A 66 37.488 -1.546 -17.529 1.00 0.00 C ATOM 1088 C ARG A 66 38.323 -0.255 -17.721 1.00 0.00 C ATOM 1089 O ARG A 66 38.576 0.161 -18.858 1.00 0.00 O ATOM 1090 CB ARG A 66 36.023 -1.361 -18.028 1.00 0.00 C ATOM 1091 CG ARG A 66 35.253 -0.199 -17.365 1.00 0.00 C ATOM 1092 CD ARG A 66 33.740 -0.200 -17.674 1.00 0.00 C ATOM 1093 NE ARG A 66 33.422 0.060 -19.094 1.00 0.00 N ATOM 1094 CZ ARG A 66 32.181 0.047 -19.620 1.00 0.00 C ATOM 1095 NH1 ARG A 66 31.122 -0.253 -18.875 1.00 0.00 N ATOM 1096 NH2 ARG A 66 32.007 0.340 -20.898 1.00 0.00 N ATOM 0 H ARG A 66 36.643 -1.782 -15.605 1.00 0.00 H new ATOM 0 HA ARG A 66 37.955 -2.322 -18.136 1.00 0.00 H new ATOM 0 HB2 ARG A 66 36.039 -1.199 -19.106 1.00 0.00 H new ATOM 0 HB3 ARG A 66 35.475 -2.287 -17.853 1.00 0.00 H new ATOM 0 HG2 ARG A 66 35.394 -0.251 -16.285 1.00 0.00 H new ATOM 0 HG3 ARG A 66 35.682 0.746 -17.698 1.00 0.00 H new ATOM 0 HD2 ARG A 66 33.321 -1.165 -17.388 1.00 0.00 H new ATOM 0 HD3 ARG A 66 33.252 0.555 -17.058 1.00 0.00 H new ATOM 0 HE ARG A 66 34.199 0.264 -19.722 1.00 0.00 H new ATOM 0 HH11 ARG A 66 31.241 -0.479 -17.887 1.00 0.00 H new ATOM 0 HH12 ARG A 66 30.191 -0.258 -19.291 1.00 0.00 H new ATOM 0 HH21 ARG A 66 32.810 0.575 -21.481 1.00 0.00 H new ATOM 0 HH22 ARG A 66 31.070 0.331 -21.300 1.00 0.00 H new ATOM 1110 N ARG A 67 38.748 0.377 -16.601 1.00 0.00 N ATOM 1111 CA ARG A 67 39.687 1.523 -16.617 1.00 0.00 C ATOM 1112 C ARG A 67 41.140 1.056 -16.377 1.00 0.00 C ATOM 1113 O ARG A 67 42.050 1.879 -16.262 1.00 0.00 O ATOM 1114 CB ARG A 67 39.270 2.592 -15.566 1.00 0.00 C ATOM 1115 CG ARG A 67 37.908 3.280 -15.846 1.00 0.00 C ATOM 1116 CD ARG A 67 37.854 3.985 -17.218 1.00 0.00 C ATOM 1117 NE ARG A 67 38.890 5.036 -17.346 1.00 0.00 N ATOM 1118 CZ ARG A 67 39.857 5.083 -18.290 1.00 0.00 C ATOM 1119 NH1 ARG A 67 39.977 4.119 -19.204 1.00 0.00 N ATOM 1120 NH2 ARG A 67 40.703 6.098 -18.299 1.00 0.00 N ATOM 0 H ARG A 67 38.450 0.107 -15.664 1.00 0.00 H new ATOM 0 HA ARG A 67 39.641 1.980 -17.606 1.00 0.00 H new ATOM 0 HB2 ARG A 67 39.228 2.120 -14.585 1.00 0.00 H new ATOM 0 HB3 ARG A 67 40.045 3.357 -15.519 1.00 0.00 H new ATOM 0 HG2 ARG A 67 37.115 2.534 -15.796 1.00 0.00 H new ATOM 0 HG3 ARG A 67 37.709 4.010 -15.061 1.00 0.00 H new ATOM 0 HD2 ARG A 67 37.987 3.247 -18.009 1.00 0.00 H new ATOM 0 HD3 ARG A 67 36.869 4.429 -17.358 1.00 0.00 H new ATOM 0 HE ARG A 67 38.872 5.792 -16.661 1.00 0.00 H new ATOM 0 HH11 ARG A 67 39.333 3.328 -19.199 1.00 0.00 H new ATOM 0 HH12 ARG A 67 40.713 4.173 -19.908 1.00 0.00 H new ATOM 0 HH21 ARG A 67 40.623 6.835 -17.599 1.00 0.00 H new ATOM 0 HH22 ARG A 67 41.437 6.144 -19.006 1.00 0.00 H new ATOM 1134 N LYS A 68 41.348 -0.272 -16.287 1.00 0.00 N ATOM 1135 CA LYS A 68 42.694 -0.881 -16.304 1.00 0.00 C ATOM 1136 C LYS A 68 42.701 -2.067 -17.292 1.00 0.00 C ATOM 1137 O LYS A 68 43.366 -3.090 -17.085 1.00 0.00 O ATOM 1138 CB LYS A 68 43.160 -1.274 -14.866 1.00 0.00 C ATOM 1139 CG LYS A 68 42.306 -2.341 -14.148 1.00 0.00 C ATOM 1140 CD LYS A 68 42.625 -2.438 -12.635 1.00 0.00 C ATOM 1141 CE LYS A 68 41.762 -3.483 -11.906 1.00 0.00 C ATOM 1142 NZ LYS A 68 42.034 -4.865 -12.378 1.00 0.00 N ATOM 0 H LYS A 68 40.592 -0.951 -16.201 1.00 0.00 H new ATOM 0 HA LYS A 68 43.424 -0.151 -16.655 1.00 0.00 H new ATOM 0 HB2 LYS A 68 44.186 -1.637 -14.924 1.00 0.00 H new ATOM 0 HB3 LYS A 68 43.174 -0.374 -14.251 1.00 0.00 H new ATOM 0 HG2 LYS A 68 41.250 -2.105 -14.279 1.00 0.00 H new ATOM 0 HG3 LYS A 68 42.476 -3.311 -14.615 1.00 0.00 H new ATOM 0 HD2 LYS A 68 43.678 -2.690 -12.506 1.00 0.00 H new ATOM 0 HD3 LYS A 68 42.472 -1.462 -12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 68 41.951 -3.423 -10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 68 40.708 -3.250 -12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 41.467 -5.539 -11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 41.781 -4.944 -13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 43.044 -5.081 -12.257 1.00 0.00 H new ATOM 1156 N LYS A 69 41.964 -1.869 -18.402 1.00 0.00 N ATOM 1157 CA LYS A 69 41.881 -2.818 -19.526 1.00 0.00 C ATOM 1158 C LYS A 69 43.193 -2.775 -20.348 1.00 0.00 C ATOM 1159 O LYS A 69 43.300 -2.018 -21.323 1.00 0.00 O ATOM 1160 CB LYS A 69 40.634 -2.469 -20.400 1.00 0.00 C ATOM 1161 CG LYS A 69 40.358 -3.361 -21.652 1.00 0.00 C ATOM 1162 CD LYS A 69 39.724 -4.747 -21.338 1.00 0.00 C ATOM 1163 CE LYS A 69 40.734 -5.818 -20.886 1.00 0.00 C ATOM 1164 NZ LYS A 69 41.744 -6.121 -21.936 1.00 0.00 N ATOM 0 H LYS A 69 41.401 -1.031 -18.544 1.00 0.00 H new ATOM 0 HA LYS A 69 41.761 -3.836 -19.154 1.00 0.00 H new ATOM 0 HB2 LYS A 69 39.753 -2.507 -19.759 1.00 0.00 H new ATOM 0 HB3 LYS A 69 40.738 -1.438 -20.738 1.00 0.00 H new ATOM 0 HG2 LYS A 69 39.697 -2.819 -22.328 1.00 0.00 H new ATOM 0 HG3 LYS A 69 41.297 -3.518 -22.183 1.00 0.00 H new ATOM 0 HD2 LYS A 69 38.972 -4.621 -20.559 1.00 0.00 H new ATOM 0 HD3 LYS A 69 39.205 -5.106 -22.227 1.00 0.00 H new ATOM 0 HE2 LYS A 69 41.242 -5.477 -19.984 1.00 0.00 H new ATOM 0 HE3 LYS A 69 40.199 -6.731 -20.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 42.236 -7.006 -21.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 41.269 -6.224 -22.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 42.434 -5.345 -21.988 1.00 0.00 H new ATOM 1178 N LYS A 70 44.187 -3.574 -19.892 1.00 0.00 N ATOM 1179 CA LYS A 70 45.543 -3.683 -20.484 1.00 0.00 C ATOM 1180 C LYS A 70 46.267 -2.314 -20.560 1.00 0.00 C ATOM 1181 O LYS A 70 46.031 -1.510 -21.473 1.00 0.00 O ATOM 1182 CB LYS A 70 45.515 -4.406 -21.868 1.00 0.00 C ATOM 1183 CG LYS A 70 46.880 -4.509 -22.601 1.00 0.00 C ATOM 1184 CD LYS A 70 48.007 -5.234 -21.802 1.00 0.00 C ATOM 1185 CE LYS A 70 47.847 -6.768 -21.710 1.00 0.00 C ATOM 1186 NZ LYS A 70 46.733 -7.206 -20.826 1.00 0.00 N ATOM 0 H LYS A 70 44.065 -4.178 -19.079 1.00 0.00 H new ATOM 0 HA LYS A 70 46.129 -4.305 -19.808 1.00 0.00 H new ATOM 0 HB2 LYS A 70 45.124 -5.413 -21.723 1.00 0.00 H new ATOM 0 HB3 LYS A 70 44.813 -3.882 -22.517 1.00 0.00 H new ATOM 0 HG2 LYS A 70 46.730 -5.034 -23.544 1.00 0.00 H new ATOM 0 HG3 LYS A 70 47.220 -3.503 -22.847 1.00 0.00 H new ATOM 0 HD2 LYS A 70 48.966 -5.009 -22.268 1.00 0.00 H new ATOM 0 HD3 LYS A 70 48.039 -4.824 -20.792 1.00 0.00 H new ATOM 0 HE2 LYS A 70 47.682 -7.167 -22.711 1.00 0.00 H new ATOM 0 HE3 LYS A 70 48.779 -7.199 -21.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 47.014 -8.067 -20.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 46.516 -6.453 -20.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 45.890 -7.404 -21.402 1.00 0.00 H new ATOM 1200 N LYS A 71 47.126 -2.062 -19.554 1.00 0.00 N ATOM 1201 CA LYS A 71 48.012 -0.881 -19.487 1.00 0.00 C ATOM 1202 C LYS A 71 49.233 -1.180 -18.568 1.00 0.00 C ATOM 1203 O LYS A 71 50.353 -0.729 -18.884 1.00 0.00 O ATOM 1204 CB LYS A 71 47.243 0.429 -19.058 1.00 0.00 C ATOM 1205 CG LYS A 71 46.008 0.235 -18.131 1.00 0.00 C ATOM 1206 CD LYS A 71 46.342 -0.237 -16.704 1.00 0.00 C ATOM 1207 CE LYS A 71 47.078 0.818 -15.872 1.00 0.00 C ATOM 1208 NZ LYS A 71 47.259 0.376 -14.470 1.00 0.00 N ATOM 1209 OXT LYS A 71 49.077 -1.902 -17.552 1.00 0.00 O ATOM 0 H LYS A 71 47.226 -2.683 -18.751 1.00 0.00 H new ATOM 0 HA LYS A 71 48.384 -0.683 -20.492 1.00 0.00 H new ATOM 0 HB2 LYS A 71 47.948 1.089 -18.553 1.00 0.00 H new ATOM 0 HB3 LYS A 71 46.915 0.944 -19.961 1.00 0.00 H new ATOM 0 HG2 LYS A 71 45.465 1.178 -18.069 1.00 0.00 H new ATOM 0 HG3 LYS A 71 45.336 -0.490 -18.591 1.00 0.00 H new ATOM 0 HD2 LYS A 71 45.418 -0.512 -16.194 1.00 0.00 H new ATOM 0 HD3 LYS A 71 46.955 -1.137 -16.761 1.00 0.00 H new ATOM 0 HE2 LYS A 71 48.051 1.021 -16.319 1.00 0.00 H new ATOM 0 HE3 LYS A 71 46.518 1.753 -15.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 47.760 1.114 -13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 46.329 0.206 -14.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 47.815 -0.503 -14.452 1.00 0.00 H new TER 1223 LYS A 71