USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 630 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 12 GLN : amide:sc= 0.067 K(o=0.13,f=-1.4) USER MOD Set 1.2: A 49 LYS NZ :NH3+ -129:sc= 0.0627 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00555) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0.753 K(o=0.75,f=-3.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0.00354 X(o=0.0035,f=-0.29) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 26:sc= 0.305 USER MOD Single : A 59 SER OG : rot -0:sc= 1.2 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0.552 (180deg=0.519) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.669 -0.023 -0.567 1.00 0.00 N ATOM 2 CA MET A 1 2.506 0.332 -2.001 1.00 0.00 C ATOM 3 C MET A 1 1.045 0.773 -2.331 1.00 0.00 C ATOM 4 O MET A 1 0.067 0.266 -1.774 1.00 0.00 O ATOM 5 CB MET A 1 2.953 -0.844 -2.916 1.00 0.00 C ATOM 6 CG MET A 1 4.450 -1.206 -2.890 1.00 0.00 C ATOM 7 SD MET A 1 5.432 0.137 -3.586 1.00 0.00 S ATOM 8 CE MET A 1 7.062 -0.623 -3.515 1.00 0.00 C ATOM 0 H1 MET A 1 3.660 -0.277 -0.383 1.00 0.00 H new ATOM 0 H2 MET A 1 2.405 0.791 0.024 1.00 0.00 H new ATOM 0 H3 MET A 1 2.056 -0.831 -0.338 1.00 0.00 H new ATOM 0 HA MET A 1 3.152 1.187 -2.199 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.383 -1.730 -2.635 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.679 -0.600 -3.942 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.766 -1.403 -1.865 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.620 -2.121 -3.457 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.804 0.071 -3.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.305 -0.866 -2.481 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.065 -1.535 -4.112 1.00 0.00 H new ATOM 18 N TYR A 2 0.916 1.684 -3.314 1.00 0.00 N ATOM 19 CA TYR A 2 -0.391 2.109 -3.905 1.00 0.00 C ATOM 20 C TYR A 2 -1.206 3.055 -2.952 1.00 0.00 C ATOM 21 O TYR A 2 -2.005 2.588 -2.134 1.00 0.00 O ATOM 22 CB TYR A 2 -1.285 0.979 -4.519 1.00 0.00 C ATOM 23 CG TYR A 2 -0.611 -0.157 -5.308 1.00 0.00 C ATOM 24 CD1 TYR A 2 -0.201 0.021 -6.633 1.00 0.00 C ATOM 25 CD2 TYR A 2 -0.398 -1.392 -4.684 1.00 0.00 C ATOM 26 CE1 TYR A 2 0.439 -1.015 -7.314 1.00 0.00 C ATOM 27 CE2 TYR A 2 0.244 -2.423 -5.364 1.00 0.00 C ATOM 28 CZ TYR A 2 0.666 -2.233 -6.675 1.00 0.00 C ATOM 29 OH TYR A 2 1.312 -3.251 -7.323 1.00 0.00 O ATOM 0 H TYR A 2 1.717 2.157 -3.732 1.00 0.00 H new ATOM 0 HA TYR A 2 -0.082 2.686 -4.777 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.848 0.525 -3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.009 1.455 -5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.380 0.963 -7.130 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.734 -1.546 -3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 2 0.758 -0.873 -8.336 1.00 0.00 H new ATOM 0 HE2 TYR A 2 0.414 -3.370 -4.873 1.00 0.00 H new ATOM 0 HH TYR A 2 1.384 -4.025 -6.726 1.00 0.00 H new ATOM 39 N LEU A 3 -1.008 4.385 -3.050 1.00 0.00 N ATOM 40 CA LEU A 3 -1.747 5.371 -2.211 1.00 0.00 C ATOM 41 C LEU A 3 -3.165 5.730 -2.774 1.00 0.00 C ATOM 42 O LEU A 3 -3.373 5.868 -3.983 1.00 0.00 O ATOM 43 CB LEU A 3 -0.845 6.598 -1.875 1.00 0.00 C ATOM 44 CG LEU A 3 -0.635 7.755 -2.896 1.00 0.00 C ATOM 45 CD1 LEU A 3 0.094 8.923 -2.217 1.00 0.00 C ATOM 46 CD2 LEU A 3 0.184 7.363 -4.132 1.00 0.00 C ATOM 0 H LEU A 3 -0.345 4.808 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.975 4.893 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.245 7.046 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.143 6.208 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.636 8.027 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.238 9.729 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.502 9.286 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.064 8.584 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.283 8.225 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.174 7.028 -3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.322 6.557 -4.663 1.00 0.00 H new ATOM 58 N THR A 4 -4.144 5.902 -1.871 1.00 0.00 N ATOM 59 CA THR A 4 -5.574 6.181 -2.221 1.00 0.00 C ATOM 60 C THR A 4 -5.788 7.484 -3.074 1.00 0.00 C ATOM 61 O THR A 4 -5.013 8.436 -2.977 1.00 0.00 O ATOM 62 CB THR A 4 -6.349 6.204 -0.858 1.00 0.00 C ATOM 63 OG1 THR A 4 -6.171 4.969 -0.166 1.00 0.00 O ATOM 64 CG2 THR A 4 -7.874 6.385 -0.933 1.00 0.00 C ATOM 0 H THR A 4 -3.979 5.854 -0.866 1.00 0.00 H new ATOM 0 HA THR A 4 -5.957 5.404 -2.883 1.00 0.00 H new ATOM 0 HB THR A 4 -5.922 7.076 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.658 4.997 0.684 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.291 6.384 0.074 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.104 7.333 -1.420 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.310 5.567 -1.507 1.00 0.00 H new ATOM 72 N LEU A 5 -6.870 7.547 -3.874 1.00 0.00 N ATOM 73 CA LEU A 5 -7.263 8.746 -4.687 1.00 0.00 C ATOM 74 C LEU A 5 -7.186 10.151 -3.989 1.00 0.00 C ATOM 75 O LEU A 5 -6.572 11.085 -4.518 1.00 0.00 O ATOM 76 CB LEU A 5 -8.647 8.367 -5.313 1.00 0.00 C ATOM 77 CG LEU A 5 -9.345 9.406 -6.240 1.00 0.00 C ATOM 78 CD1 LEU A 5 -10.126 8.736 -7.387 1.00 0.00 C ATOM 79 CD2 LEU A 5 -10.337 10.281 -5.453 1.00 0.00 C ATOM 0 H LEU A 5 -7.513 6.763 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.513 8.938 -5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.514 7.448 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.331 8.138 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.542 10.015 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.594 9.502 -8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.442 8.146 -7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.895 8.085 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.807 10.996 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.103 9.649 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.805 10.819 -4.669 1.00 0.00 H new ATOM 91 N GLN A 6 -7.747 10.260 -2.776 1.00 0.00 N ATOM 92 CA GLN A 6 -7.576 11.460 -1.903 1.00 0.00 C ATOM 93 C GLN A 6 -6.131 11.692 -1.337 1.00 0.00 C ATOM 94 O GLN A 6 -5.679 12.841 -1.314 1.00 0.00 O ATOM 95 CB GLN A 6 -8.649 11.417 -0.781 1.00 0.00 C ATOM 96 CG GLN A 6 -10.105 11.641 -1.268 1.00 0.00 C ATOM 97 CD GLN A 6 -11.169 11.475 -0.182 1.00 0.00 C ATOM 98 OE1 GLN A 6 -11.697 10.392 0.046 1.00 0.00 O ATOM 99 NE2 GLN A 6 -11.526 12.528 0.513 1.00 0.00 N ATOM 0 H GLN A 6 -8.330 9.532 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.724 12.332 -2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.593 10.451 -0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.408 12.177 -0.037 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.184 12.644 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.316 10.941 -2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.091 13.432 0.329 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.239 12.443 1.238 1.00 0.00 H new ATOM 108 N GLU A 7 -5.389 10.637 -0.936 1.00 0.00 N ATOM 109 CA GLU A 7 -3.921 10.743 -0.669 1.00 0.00 C ATOM 110 C GLU A 7 -3.031 11.136 -1.897 1.00 0.00 C ATOM 111 O GLU A 7 -2.107 11.929 -1.713 1.00 0.00 O ATOM 112 CB GLU A 7 -3.381 9.447 -0.007 1.00 0.00 C ATOM 113 CG GLU A 7 -3.719 9.265 1.492 1.00 0.00 C ATOM 114 CD GLU A 7 -2.903 8.147 2.138 1.00 0.00 C ATOM 115 OE1 GLU A 7 -1.684 8.589 2.573 1.00 0.00 O ATOM 116 OE2 GLU A 7 -3.294 6.987 2.227 1.00 0.00 O ATOM 0 H GLU A 7 -5.771 9.703 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.837 11.584 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.774 8.591 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.297 9.428 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.533 10.200 2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.781 9.045 1.599 1.00 0.00 H new ATOM 123 N TRP A 8 -3.292 10.632 -3.121 1.00 0.00 N ATOM 124 CA TRP A 8 -2.654 11.144 -4.369 1.00 0.00 C ATOM 125 C TRP A 8 -2.913 12.665 -4.641 1.00 0.00 C ATOM 126 O TRP A 8 -1.947 13.405 -4.838 1.00 0.00 O ATOM 127 CB TRP A 8 -3.057 10.221 -5.554 1.00 0.00 C ATOM 128 CG TRP A 8 -2.296 10.500 -6.863 1.00 0.00 C ATOM 129 CD1 TRP A 8 -1.043 9.957 -7.220 1.00 0.00 C ATOM 130 CD2 TRP A 8 -2.615 11.392 -7.880 1.00 0.00 C ATOM 131 NE1 TRP A 8 -0.579 10.482 -8.440 1.00 0.00 N ATOM 132 CE2 TRP A 8 -1.558 11.376 -8.823 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.700 12.293 -8.040 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -1.569 12.269 -9.922 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.681 13.174 -9.122 1.00 0.00 C ATOM 136 CH2 TRP A 8 -2.634 13.161 -10.050 1.00 0.00 C ATOM 0 H TRP A 8 -3.945 9.864 -3.280 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.572 11.101 -4.243 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.889 9.184 -5.264 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.126 10.332 -5.738 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.507 9.229 -6.630 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.286 10.253 -8.931 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.522 12.297 -7.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.769 12.260 -10.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.490 13.879 -9.245 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.651 13.853 -10.879 1.00 0.00 H new ATOM 147 N ASN A 9 -4.180 13.132 -4.616 1.00 0.00 N ATOM 148 CA ASN A 9 -4.501 14.586 -4.716 1.00 0.00 C ATOM 149 C ASN A 9 -3.866 15.494 -3.600 1.00 0.00 C ATOM 150 O ASN A 9 -3.296 16.534 -3.937 1.00 0.00 O ATOM 151 CB ASN A 9 -6.043 14.701 -4.838 1.00 0.00 C ATOM 152 CG ASN A 9 -6.537 16.078 -5.295 1.00 0.00 C ATOM 153 OD1 ASN A 9 -6.189 16.574 -6.362 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.372 16.729 -4.525 1.00 0.00 N ATOM 0 H ASN A 9 -5.000 12.531 -4.528 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.023 14.997 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.397 13.948 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.491 14.469 -3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.727 17.640 -4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.667 16.325 -3.636 1.00 0.00 H new ATOM 161 N ALA A 10 -3.895 15.088 -2.313 1.00 0.00 N ATOM 162 CA ALA A 10 -3.066 15.718 -1.245 1.00 0.00 C ATOM 163 C ALA A 10 -1.502 15.644 -1.391 1.00 0.00 C ATOM 164 O ALA A 10 -0.813 16.587 -0.994 1.00 0.00 O ATOM 165 CB ALA A 10 -3.550 15.107 0.084 1.00 0.00 C ATOM 0 H ALA A 10 -4.484 14.324 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.221 16.795 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.978 15.531 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.608 15.331 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.407 14.027 0.061 1.00 0.00 H new ATOM 171 N ARG A 11 -0.935 14.565 -1.966 1.00 0.00 N ATOM 172 CA ARG A 11 0.492 14.519 -2.414 1.00 0.00 C ATOM 173 C ARG A 11 0.907 15.510 -3.551 1.00 0.00 C ATOM 174 O ARG A 11 2.034 16.014 -3.512 1.00 0.00 O ATOM 175 CB ARG A 11 0.886 13.048 -2.770 1.00 0.00 C ATOM 176 CG ARG A 11 1.783 12.335 -1.732 1.00 0.00 C ATOM 177 CD ARG A 11 1.073 12.004 -0.405 1.00 0.00 C ATOM 178 NE ARG A 11 2.053 11.516 0.608 1.00 0.00 N ATOM 179 CZ ARG A 11 2.712 12.282 1.482 1.00 0.00 C ATOM 180 NH1 ARG A 11 2.542 13.577 1.586 1.00 0.00 N ATOM 181 NH2 ARG A 11 3.577 11.713 2.272 1.00 0.00 N ATOM 0 H ARG A 11 -1.443 13.697 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 11 1.062 14.880 -1.558 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.026 12.466 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.401 13.049 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.161 11.411 -2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.647 12.965 -1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.563 12.891 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.309 11.245 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 11 2.235 10.513 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.876 14.054 0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.076 14.108 2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.737 10.707 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.095 12.273 2.949 1.00 0.00 H new ATOM 195 N GLN A 12 0.042 15.796 -4.544 1.00 0.00 N ATOM 196 CA GLN A 12 0.315 16.836 -5.576 1.00 0.00 C ATOM 197 C GLN A 12 0.414 18.273 -4.955 1.00 0.00 C ATOM 198 O GLN A 12 -0.453 18.690 -4.181 1.00 0.00 O ATOM 199 CB GLN A 12 -0.766 16.786 -6.697 1.00 0.00 C ATOM 200 CG GLN A 12 -0.938 15.470 -7.508 1.00 0.00 C ATOM 201 CD GLN A 12 0.317 14.908 -8.191 1.00 0.00 C ATOM 202 OE1 GLN A 12 0.766 15.380 -9.231 1.00 0.00 O ATOM 203 NE2 GLN A 12 0.914 13.878 -7.640 1.00 0.00 N ATOM 0 H GLN A 12 -0.855 15.325 -4.660 1.00 0.00 H new ATOM 0 HA GLN A 12 1.287 16.614 -6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.727 17.021 -6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.545 17.585 -7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.330 14.706 -6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.694 15.640 -8.274 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.548 13.479 -6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.744 13.476 -8.076 1.00 0.00 H new ATOM 212 N ARG A 13 1.482 19.023 -5.297 1.00 0.00 N ATOM 213 CA ARG A 13 1.797 20.355 -4.680 1.00 0.00 C ATOM 214 C ARG A 13 0.654 21.427 -4.601 1.00 0.00 C ATOM 215 O ARG A 13 0.557 22.134 -3.595 1.00 0.00 O ATOM 216 CB ARG A 13 3.052 20.939 -5.394 1.00 0.00 C ATOM 217 CG ARG A 13 4.423 20.266 -5.101 1.00 0.00 C ATOM 218 CD ARG A 13 5.222 20.857 -3.920 1.00 0.00 C ATOM 219 NE ARG A 13 4.715 20.386 -2.601 1.00 0.00 N ATOM 220 CZ ARG A 13 5.110 20.851 -1.414 1.00 0.00 C ATOM 221 NH1 ARG A 13 5.982 21.819 -1.266 1.00 0.00 N ATOM 222 NH2 ARG A 13 4.604 20.316 -0.341 1.00 0.00 N ATOM 0 H ARG A 13 2.157 18.735 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 13 1.968 20.135 -3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.878 20.894 -6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.131 21.993 -5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.253 19.207 -4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.037 20.330 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.272 20.583 -4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.171 21.945 -3.959 1.00 0.00 H new ATOM 0 HE ARG A 13 4.010 19.649 -2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.398 22.260 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.244 22.131 -0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.923 19.561 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.888 20.652 0.579 1.00 0.00 H new ATOM 236 N ARG A 14 -0.198 21.538 -5.634 1.00 0.00 N ATOM 237 CA ARG A 14 -1.509 22.231 -5.523 1.00 0.00 C ATOM 238 C ARG A 14 -2.655 21.170 -5.670 1.00 0.00 C ATOM 239 O ARG A 14 -2.807 20.643 -6.780 1.00 0.00 O ATOM 240 CB ARG A 14 -1.593 23.359 -6.587 1.00 0.00 C ATOM 241 CG ARG A 14 -0.871 24.662 -6.156 1.00 0.00 C ATOM 242 CD ARG A 14 -0.776 25.741 -7.249 1.00 0.00 C ATOM 243 NE ARG A 14 0.331 25.424 -8.194 1.00 0.00 N ATOM 244 CZ ARG A 14 0.847 26.263 -9.092 1.00 0.00 C ATOM 245 NH1 ARG A 14 0.373 27.464 -9.319 1.00 0.00 N ATOM 246 NH2 ARG A 14 1.879 25.871 -9.781 1.00 0.00 N ATOM 0 H ARG A 14 -0.009 21.158 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.620 22.706 -4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.158 23.002 -7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.641 23.582 -6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.392 25.082 -5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.137 24.410 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.720 25.803 -7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.606 26.716 -6.793 1.00 0.00 H new ATOM 0 HE ARG A 14 0.728 24.485 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.434 27.801 -8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.811 28.061 -10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.272 24.943 -9.627 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.295 26.492 -10.475 1.00 0.00 H new ATOM 260 N PRO A 15 -3.489 20.833 -4.638 1.00 0.00 N ATOM 261 CA PRO A 15 -4.594 19.847 -4.791 1.00 0.00 C ATOM 262 C PRO A 15 -5.786 20.392 -5.647 1.00 0.00 C ATOM 263 O PRO A 15 -6.258 21.520 -5.463 1.00 0.00 O ATOM 264 CB PRO A 15 -4.956 19.530 -3.326 1.00 0.00 C ATOM 265 CG PRO A 15 -4.567 20.776 -2.529 1.00 0.00 C ATOM 266 CD PRO A 15 -3.336 21.323 -3.252 1.00 0.00 C ATOM 0 HA PRO A 15 -4.313 18.956 -5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.019 19.314 -3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.417 18.652 -2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.376 21.506 -2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.341 20.529 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.302 22.412 -3.215 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.413 20.960 -2.800 1.00 0.00 H new ATOM 274 N ARG A 16 -6.226 19.592 -6.627 1.00 0.00 N ATOM 275 CA ARG A 16 -7.321 19.971 -7.566 1.00 0.00 C ATOM 276 C ARG A 16 -8.682 19.290 -7.192 1.00 0.00 C ATOM 277 O ARG A 16 -8.799 18.518 -6.234 1.00 0.00 O ATOM 278 CB ARG A 16 -6.811 19.654 -9.015 1.00 0.00 C ATOM 279 CG ARG A 16 -6.169 20.839 -9.780 1.00 0.00 C ATOM 280 CD ARG A 16 -4.796 21.300 -9.246 1.00 0.00 C ATOM 281 NE ARG A 16 -4.282 22.462 -10.028 1.00 0.00 N ATOM 282 CZ ARG A 16 -4.548 23.747 -9.780 1.00 0.00 C ATOM 283 NH1 ARG A 16 -5.237 24.160 -8.743 1.00 0.00 N ATOM 284 NH2 ARG A 16 -4.106 24.639 -10.619 1.00 0.00 N ATOM 0 H ARG A 16 -5.842 18.663 -6.801 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.549 21.035 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.080 18.847 -8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.650 19.280 -9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.058 20.557 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.856 21.685 -9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.884 21.575 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.085 20.476 -9.302 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.674 22.257 -10.821 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.603 23.485 -8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.407 25.157 -8.608 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.573 24.348 -11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.293 25.629 -10.457 1.00 0.00 H new ATOM 298 N SER A 17 -9.741 19.577 -7.970 1.00 0.00 N ATOM 299 CA SER A 17 -11.039 18.861 -7.859 1.00 0.00 C ATOM 300 C SER A 17 -10.930 17.358 -8.278 1.00 0.00 C ATOM 301 O SER A 17 -10.386 17.028 -9.339 1.00 0.00 O ATOM 302 CB SER A 17 -12.084 19.593 -8.737 1.00 0.00 C ATOM 303 OG SER A 17 -12.276 20.952 -8.337 1.00 0.00 O ATOM 0 H SER A 17 -9.730 20.302 -8.687 1.00 0.00 H new ATOM 0 HA SER A 17 -11.347 18.869 -6.814 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.763 19.566 -9.778 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.035 19.063 -8.683 1.00 0.00 H new ATOM 0 HG SER A 17 -12.942 21.374 -8.920 1.00 0.00 H new ATOM 309 N LEU A 18 -11.487 16.447 -7.460 1.00 0.00 N ATOM 310 CA LEU A 18 -11.469 14.977 -7.748 1.00 0.00 C ATOM 311 C LEU A 18 -12.148 14.526 -9.096 1.00 0.00 C ATOM 312 O LEU A 18 -11.661 13.598 -9.744 1.00 0.00 O ATOM 313 CB LEU A 18 -12.041 14.191 -6.531 1.00 0.00 C ATOM 314 CG LEU A 18 -11.399 14.403 -5.128 1.00 0.00 C ATOM 315 CD1 LEU A 18 -12.155 13.578 -4.072 1.00 0.00 C ATOM 316 CD2 LEU A 18 -9.899 14.057 -5.073 1.00 0.00 C ATOM 0 H LEU A 18 -11.959 16.690 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.418 14.730 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.100 14.436 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.977 13.128 -6.765 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.482 15.469 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.699 13.733 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.197 13.895 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.105 12.521 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.522 14.230 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.757 13.009 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.354 14.687 -5.777 1.00 0.00 H new ATOM 328 N GLU A 19 -13.212 15.216 -9.554 1.00 0.00 N ATOM 329 CA GLU A 19 -13.737 15.102 -10.950 1.00 0.00 C ATOM 330 C GLU A 19 -12.743 15.480 -12.109 1.00 0.00 C ATOM 331 O GLU A 19 -12.752 14.809 -13.144 1.00 0.00 O ATOM 332 CB GLU A 19 -15.043 15.937 -11.066 1.00 0.00 C ATOM 333 CG GLU A 19 -16.243 15.434 -10.224 1.00 0.00 C ATOM 334 CD GLU A 19 -17.510 16.256 -10.436 1.00 0.00 C ATOM 335 OE1 GLU A 19 -17.594 17.312 -9.578 1.00 0.00 O ATOM 336 OE2 GLU A 19 -18.353 15.998 -11.290 1.00 0.00 O ATOM 0 H GLU A 19 -13.738 15.870 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.915 14.037 -11.102 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.823 16.963 -10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.344 15.962 -12.113 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.446 14.393 -10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.974 15.459 -9.168 1.00 0.00 H new ATOM 343 N THR A 20 -11.888 16.512 -11.948 1.00 0.00 N ATOM 344 CA THR A 20 -10.738 16.786 -12.872 1.00 0.00 C ATOM 345 C THR A 20 -9.650 15.658 -12.878 1.00 0.00 C ATOM 346 O THR A 20 -9.270 15.194 -13.957 1.00 0.00 O ATOM 347 CB THR A 20 -10.157 18.207 -12.579 1.00 0.00 C ATOM 348 OG1 THR A 20 -11.172 19.196 -12.723 1.00 0.00 O ATOM 349 CG2 THR A 20 -9.019 18.660 -13.510 1.00 0.00 C ATOM 0 H THR A 20 -11.964 17.182 -11.183 1.00 0.00 H new ATOM 0 HA THR A 20 -11.120 16.777 -13.893 1.00 0.00 H new ATOM 0 HB THR A 20 -9.766 18.117 -11.565 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.795 20.081 -12.535 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.688 19.658 -13.221 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.184 17.964 -13.430 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.377 18.680 -14.539 1.00 0.00 H new ATOM 357 N VAL A 21 -9.209 15.172 -11.700 1.00 0.00 N ATOM 358 CA VAL A 21 -8.401 13.913 -11.567 1.00 0.00 C ATOM 359 C VAL A 21 -9.062 12.655 -12.251 1.00 0.00 C ATOM 360 O VAL A 21 -8.391 11.956 -13.014 1.00 0.00 O ATOM 361 CB VAL A 21 -8.019 13.681 -10.057 1.00 0.00 C ATOM 362 CG1 VAL A 21 -7.173 12.408 -9.814 1.00 0.00 C ATOM 363 CG2 VAL A 21 -7.248 14.860 -9.409 1.00 0.00 C ATOM 0 H VAL A 21 -9.395 15.630 -10.808 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.478 14.051 -12.131 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.997 13.577 -9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.950 12.317 -8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.731 11.532 -10.144 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.241 12.478 -10.376 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.023 14.620 -8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.318 15.029 -9.952 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.860 15.761 -9.449 1.00 0.00 H new ATOM 373 N ARG A 22 -10.368 12.397 -12.034 1.00 0.00 N ATOM 374 CA ARG A 22 -11.126 11.336 -12.762 1.00 0.00 C ATOM 375 C ARG A 22 -11.269 11.546 -14.313 1.00 0.00 C ATOM 376 O ARG A 22 -11.156 10.567 -15.054 1.00 0.00 O ATOM 377 CB ARG A 22 -12.473 11.116 -12.011 1.00 0.00 C ATOM 378 CG ARG A 22 -13.155 9.738 -12.223 1.00 0.00 C ATOM 379 CD ARG A 22 -14.035 9.579 -13.486 1.00 0.00 C ATOM 380 NE ARG A 22 -15.488 9.758 -13.193 1.00 0.00 N ATOM 381 CZ ARG A 22 -16.190 10.881 -13.350 1.00 0.00 C ATOM 382 NH1 ARG A 22 -15.681 12.004 -13.793 1.00 0.00 N ATOM 383 NH2 ARG A 22 -17.456 10.859 -13.044 1.00 0.00 N ATOM 0 H ARG A 22 -10.932 12.909 -11.356 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.540 10.417 -12.739 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.297 11.251 -10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.170 11.895 -12.320 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.377 8.976 -12.254 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.773 9.528 -11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.726 10.308 -14.235 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.873 8.591 -13.917 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.991 8.944 -12.839 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.693 12.053 -14.041 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.273 12.829 -13.890 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.882 10.000 -12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.022 11.701 -13.152 1.00 0.00 H new ATOM 397 N ARG A 23 -11.465 12.784 -14.823 1.00 0.00 N ATOM 398 CA ARG A 23 -11.251 13.109 -16.269 1.00 0.00 C ATOM 399 C ARG A 23 -9.806 12.815 -16.806 1.00 0.00 C ATOM 400 O ARG A 23 -9.680 12.178 -17.854 1.00 0.00 O ATOM 401 CB ARG A 23 -11.686 14.575 -16.552 1.00 0.00 C ATOM 402 CG ARG A 23 -11.830 14.913 -18.062 1.00 0.00 C ATOM 403 CD ARG A 23 -12.146 16.386 -18.393 1.00 0.00 C ATOM 404 NE ARG A 23 -13.598 16.718 -18.281 1.00 0.00 N ATOM 405 CZ ARG A 23 -14.174 17.379 -17.275 1.00 0.00 C ATOM 406 NH1 ARG A 23 -13.557 17.686 -16.162 1.00 0.00 N ATOM 407 NH2 ARG A 23 -15.420 17.735 -17.406 1.00 0.00 N ATOM 0 H ARG A 23 -11.771 13.579 -14.262 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.885 12.424 -16.831 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.638 14.762 -16.056 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.956 15.252 -16.107 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.904 14.638 -18.567 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.619 14.289 -18.481 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.580 17.032 -17.722 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.807 16.604 -19.406 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.204 16.412 -19.042 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.582 17.418 -16.029 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.051 18.193 -15.428 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.928 17.507 -18.261 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.887 18.241 -16.654 1.00 0.00 H new ATOM 421 N TRP A 24 -8.741 13.227 -16.091 1.00 0.00 N ATOM 422 CA TRP A 24 -7.338 12.809 -16.394 1.00 0.00 C ATOM 423 C TRP A 24 -7.076 11.259 -16.433 1.00 0.00 C ATOM 424 O TRP A 24 -6.334 10.800 -17.304 1.00 0.00 O ATOM 425 CB TRP A 24 -6.363 13.539 -15.428 1.00 0.00 C ATOM 426 CG TRP A 24 -6.200 15.073 -15.517 1.00 0.00 C ATOM 427 CD1 TRP A 24 -6.883 16.001 -16.346 1.00 0.00 C ATOM 428 CD2 TRP A 24 -5.395 15.849 -14.697 1.00 0.00 C ATOM 429 NE1 TRP A 24 -6.487 17.331 -16.084 1.00 0.00 N ATOM 430 CE2 TRP A 24 -5.591 17.213 -15.034 1.00 0.00 C ATOM 431 CE3 TRP A 24 -4.541 15.495 -13.623 1.00 0.00 C ATOM 432 CZ2 TRP A 24 -4.947 18.229 -14.281 1.00 0.00 C ATOM 433 CZ3 TRP A 24 -3.935 16.511 -12.885 1.00 0.00 C ATOM 434 CH2 TRP A 24 -4.135 17.857 -13.209 1.00 0.00 C ATOM 0 H TRP A 24 -8.817 13.855 -15.291 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.152 13.114 -17.424 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.676 13.304 -14.411 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.376 13.098 -15.568 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.617 15.723 -17.088 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.790 18.182 -16.558 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.363 14.458 -13.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.083 19.270 -14.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.301 16.254 -12.049 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.652 18.622 -12.619 1.00 0.00 H new ATOM 445 N VAL A 25 -7.711 10.454 -15.557 1.00 0.00 N ATOM 446 CA VAL A 25 -7.760 8.962 -15.689 1.00 0.00 C ATOM 447 C VAL A 25 -8.593 8.479 -16.932 1.00 0.00 C ATOM 448 O VAL A 25 -8.075 7.666 -17.702 1.00 0.00 O ATOM 449 CB VAL A 25 -8.180 8.297 -14.327 1.00 0.00 C ATOM 450 CG1 VAL A 25 -8.289 6.753 -14.386 1.00 0.00 C ATOM 451 CG2 VAL A 25 -7.217 8.609 -13.155 1.00 0.00 C ATOM 0 H VAL A 25 -8.206 10.806 -14.738 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.751 8.611 -15.905 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.159 8.743 -14.151 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.583 6.371 -13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.037 6.469 -15.126 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.324 6.331 -14.665 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.573 8.116 -12.250 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.219 8.245 -13.398 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.181 9.686 -12.991 1.00 0.00 H new ATOM 461 N ARG A 26 -9.828 8.980 -17.172 1.00 0.00 N ATOM 462 CA ARG A 26 -10.586 8.720 -18.441 1.00 0.00 C ATOM 463 C ARG A 26 -9.804 8.970 -19.778 1.00 0.00 C ATOM 464 O ARG A 26 -9.807 8.095 -20.647 1.00 0.00 O ATOM 465 CB ARG A 26 -11.926 9.513 -18.485 1.00 0.00 C ATOM 466 CG ARG A 26 -13.060 9.093 -17.511 1.00 0.00 C ATOM 467 CD ARG A 26 -14.430 9.024 -18.226 1.00 0.00 C ATOM 468 NE ARG A 26 -15.600 8.959 -17.305 1.00 0.00 N ATOM 469 CZ ARG A 26 -16.158 7.841 -16.839 1.00 0.00 C ATOM 470 NH1 ARG A 26 -15.581 6.667 -16.895 1.00 0.00 N ATOM 471 NH2 ARG A 26 -17.339 7.921 -16.297 1.00 0.00 N ATOM 0 H ARG A 26 -10.330 9.569 -16.508 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.769 7.646 -18.396 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.698 10.562 -18.298 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.318 9.448 -19.500 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.826 8.121 -17.077 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.115 9.805 -16.687 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.536 9.898 -18.868 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.444 8.148 -18.875 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.008 9.844 -17.006 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.655 6.573 -17.312 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.058 5.846 -16.521 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.813 8.822 -16.237 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.790 7.082 -15.932 1.00 0.00 H new ATOM 485 N GLU A 27 -9.133 10.127 -19.941 1.00 0.00 N ATOM 486 CA GLU A 27 -8.243 10.378 -21.119 1.00 0.00 C ATOM 487 C GLU A 27 -6.802 9.737 -21.088 1.00 0.00 C ATOM 488 O GLU A 27 -6.003 10.015 -21.986 1.00 0.00 O ATOM 489 CB GLU A 27 -8.241 11.914 -21.380 1.00 0.00 C ATOM 490 CG GLU A 27 -7.432 12.766 -20.370 1.00 0.00 C ATOM 491 CD GLU A 27 -7.647 14.272 -20.469 1.00 0.00 C ATOM 492 OE1 GLU A 27 -6.898 14.838 -21.455 1.00 0.00 O ATOM 493 OE2 GLU A 27 -8.395 14.906 -19.729 1.00 0.00 O ATOM 0 H GLU A 27 -9.182 10.905 -19.283 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.667 9.834 -21.963 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.844 12.094 -22.379 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.273 12.265 -21.379 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.689 12.444 -19.361 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.372 12.557 -20.511 1.00 0.00 H new ATOM 500 N SER A 28 -6.464 8.892 -20.088 1.00 0.00 N ATOM 501 CA SER A 28 -5.111 8.274 -19.913 1.00 0.00 C ATOM 502 C SER A 28 -3.895 9.257 -19.765 1.00 0.00 C ATOM 503 O SER A 28 -2.837 9.069 -20.372 1.00 0.00 O ATOM 504 CB SER A 28 -4.905 7.127 -20.937 1.00 0.00 C ATOM 505 OG SER A 28 -5.919 6.131 -20.811 1.00 0.00 O ATOM 0 H SER A 28 -7.126 8.610 -19.365 1.00 0.00 H new ATOM 0 HA SER A 28 -5.116 7.837 -18.915 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.915 7.533 -21.948 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.926 6.673 -20.786 1.00 0.00 H new ATOM 0 HG SER A 28 -5.765 5.422 -21.470 1.00 0.00 H new ATOM 511 N ARG A 29 -4.031 10.275 -18.895 1.00 0.00 N ATOM 512 CA ARG A 29 -2.916 11.193 -18.524 1.00 0.00 C ATOM 513 C ARG A 29 -2.062 10.719 -17.306 1.00 0.00 C ATOM 514 O ARG A 29 -0.834 10.812 -17.377 1.00 0.00 O ATOM 515 CB ARG A 29 -3.463 12.633 -18.312 1.00 0.00 C ATOM 516 CG ARG A 29 -3.632 13.476 -19.607 1.00 0.00 C ATOM 517 CD ARG A 29 -2.653 14.662 -19.726 1.00 0.00 C ATOM 518 NE ARG A 29 -3.064 15.761 -18.804 1.00 0.00 N ATOM 519 CZ ARG A 29 -2.379 16.882 -18.585 1.00 0.00 C ATOM 520 NH1 ARG A 29 -1.202 17.129 -19.101 1.00 0.00 N ATOM 521 NH2 ARG A 29 -2.910 17.784 -17.811 1.00 0.00 N ATOM 0 H ARG A 29 -4.910 10.491 -18.426 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.221 11.184 -19.364 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.429 12.567 -17.812 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.791 13.164 -17.638 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.501 12.824 -20.470 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.652 13.857 -19.648 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.642 14.334 -19.486 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.634 15.026 -20.753 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.943 15.644 -18.299 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.758 16.442 -19.710 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.729 18.009 -18.894 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.826 17.621 -17.392 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.410 18.653 -17.624 1.00 0.00 H new ATOM 535 N ILE A 30 -2.677 10.286 -16.185 1.00 0.00 N ATOM 536 CA ILE A 30 -1.934 9.891 -14.947 1.00 0.00 C ATOM 537 C ILE A 30 -1.347 8.452 -15.130 1.00 0.00 C ATOM 538 O ILE A 30 -2.093 7.467 -15.146 1.00 0.00 O ATOM 539 CB ILE A 30 -2.810 10.077 -13.658 1.00 0.00 C ATOM 540 CG1 ILE A 30 -3.315 11.538 -13.438 1.00 0.00 C ATOM 541 CG2 ILE A 30 -2.038 9.634 -12.384 1.00 0.00 C ATOM 542 CD1 ILE A 30 -4.592 11.632 -12.587 1.00 0.00 C ATOM 0 H ILE A 30 -3.690 10.197 -16.102 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.087 10.560 -14.794 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.681 9.443 -13.824 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.526 12.117 -12.958 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.502 11.998 -14.408 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.671 9.775 -11.508 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.767 8.582 -12.470 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.134 10.234 -12.279 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.881 12.677 -12.478 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.396 11.082 -13.076 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.406 11.203 -11.602 1.00 0.00 H new ATOM 554 N PHE A 31 -0.013 8.361 -15.287 1.00 0.00 N ATOM 555 CA PHE A 31 0.674 7.101 -15.677 1.00 0.00 C ATOM 556 C PHE A 31 1.795 6.701 -14.641 1.00 0.00 C ATOM 557 O PHE A 31 2.577 7.585 -14.261 1.00 0.00 O ATOM 558 CB PHE A 31 1.209 7.277 -17.131 1.00 0.00 C ATOM 559 CG PHE A 31 1.284 5.959 -17.918 1.00 0.00 C ATOM 560 CD1 PHE A 31 0.148 5.486 -18.586 1.00 0.00 C ATOM 561 CD2 PHE A 31 2.451 5.189 -17.918 1.00 0.00 C ATOM 562 CE1 PHE A 31 0.178 4.255 -19.238 1.00 0.00 C ATOM 563 CE2 PHE A 31 2.476 3.954 -18.564 1.00 0.00 C ATOM 564 CZ PHE A 31 1.340 3.488 -19.221 1.00 0.00 C ATOM 0 H PHE A 31 0.621 9.148 -15.150 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.026 6.265 -15.661 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.564 7.974 -17.666 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.202 7.726 -17.093 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.755 6.078 -18.596 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.336 5.552 -17.416 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.699 3.896 -19.756 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.377 3.358 -18.555 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.360 2.530 -19.718 1.00 0.00 H new ATOM 574 N PRO A 32 1.938 5.423 -14.161 1.00 0.00 N ATOM 575 CA PRO A 32 1.072 4.268 -14.541 1.00 0.00 C ATOM 576 C PRO A 32 -0.405 4.322 -13.999 1.00 0.00 C ATOM 577 O PRO A 32 -0.645 4.978 -12.977 1.00 0.00 O ATOM 578 CB PRO A 32 1.883 3.066 -14.015 1.00 0.00 C ATOM 579 CG PRO A 32 2.690 3.608 -12.838 1.00 0.00 C ATOM 580 CD PRO A 32 3.039 5.037 -13.253 1.00 0.00 C ATOM 0 HA PRO A 32 0.881 4.235 -15.614 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.226 2.255 -13.701 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.537 2.664 -14.789 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.110 3.591 -11.915 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.587 3.014 -12.662 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.097 5.701 -12.390 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.005 5.082 -13.755 1.00 0.00 H new ATOM 588 N PRO A 33 -1.423 3.699 -14.665 1.00 0.00 N ATOM 589 CA PRO A 33 -2.851 3.892 -14.298 1.00 0.00 C ATOM 590 C PRO A 33 -3.268 3.289 -12.908 1.00 0.00 C ATOM 591 O PRO A 33 -2.740 2.233 -12.532 1.00 0.00 O ATOM 592 CB PRO A 33 -3.583 3.242 -15.490 1.00 0.00 C ATOM 593 CG PRO A 33 -2.617 2.179 -16.017 1.00 0.00 C ATOM 594 CD PRO A 33 -1.238 2.813 -15.833 1.00 0.00 C ATOM 0 HA PRO A 33 -3.099 4.943 -14.146 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.528 2.797 -15.178 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.817 3.979 -16.259 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.706 1.247 -15.459 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.813 1.945 -17.063 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.471 2.061 -15.649 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.931 3.372 -16.717 1.00 0.00 H new ATOM 602 N PRO A 34 -4.196 3.899 -12.114 1.00 0.00 N ATOM 603 CA PRO A 34 -4.528 3.395 -10.756 1.00 0.00 C ATOM 604 C PRO A 34 -5.319 2.048 -10.707 1.00 0.00 C ATOM 605 O PRO A 34 -6.175 1.755 -11.549 1.00 0.00 O ATOM 606 CB PRO A 34 -5.319 4.578 -10.180 1.00 0.00 C ATOM 607 CG PRO A 34 -5.952 5.276 -11.384 1.00 0.00 C ATOM 608 CD PRO A 34 -4.877 5.164 -12.460 1.00 0.00 C ATOM 0 HA PRO A 34 -3.638 3.119 -10.190 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.081 4.236 -9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.665 5.257 -9.633 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.879 4.790 -11.689 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.195 6.316 -11.164 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.308 5.130 -13.460 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.192 6.011 -12.437 1.00 0.00 H new ATOM 616 N VAL A 35 -5.037 1.247 -9.669 1.00 0.00 N ATOM 617 CA VAL A 35 -5.663 -0.092 -9.474 1.00 0.00 C ATOM 618 C VAL A 35 -7.078 0.099 -8.831 1.00 0.00 C ATOM 619 O VAL A 35 -7.208 0.496 -7.668 1.00 0.00 O ATOM 620 CB VAL A 35 -4.710 -1.028 -8.644 1.00 0.00 C ATOM 621 CG1 VAL A 35 -5.322 -2.415 -8.327 1.00 0.00 C ATOM 622 CG2 VAL A 35 -3.342 -1.293 -9.322 1.00 0.00 C ATOM 0 H VAL A 35 -4.372 1.498 -8.937 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.808 -0.595 -10.430 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.567 -0.459 -7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.608 -3.005 -7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.236 -2.286 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.554 -2.932 -9.258 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.742 -1.946 -8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.501 -1.771 -10.288 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.819 -0.348 -9.467 1.00 0.00 H new ATOM 632 N LYS A 36 -8.143 -0.216 -9.587 1.00 0.00 N ATOM 633 CA LYS A 36 -9.528 -0.243 -9.047 1.00 0.00 C ATOM 634 C LYS A 36 -9.761 -1.525 -8.181 1.00 0.00 C ATOM 635 O LYS A 36 -9.916 -2.628 -8.712 1.00 0.00 O ATOM 636 CB LYS A 36 -10.510 -0.145 -10.245 1.00 0.00 C ATOM 637 CG LYS A 36 -11.989 0.069 -9.844 1.00 0.00 C ATOM 638 CD LYS A 36 -12.945 -0.044 -11.046 1.00 0.00 C ATOM 639 CE LYS A 36 -14.419 -0.006 -10.616 1.00 0.00 C ATOM 640 NZ LYS A 36 -15.290 -0.237 -11.785 1.00 0.00 N ATOM 0 H LYS A 36 -8.079 -0.457 -10.576 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.700 0.603 -8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.198 0.678 -10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.435 -1.058 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.269 -0.667 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.100 1.052 -9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.750 0.772 -11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.747 -0.973 -11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.605 -0.766 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.650 0.959 -10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.286 -0.210 -11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.121 0.504 -12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.077 -1.168 -12.198 1.00 0.00 H new ATOM 653 N ASP A 37 -9.806 -1.368 -6.846 1.00 0.00 N ATOM 654 CA ASP A 37 -10.141 -2.495 -5.923 1.00 0.00 C ATOM 655 C ASP A 37 -11.673 -2.846 -5.919 1.00 0.00 C ATOM 656 O ASP A 37 -12.070 -3.970 -6.231 1.00 0.00 O ATOM 657 CB ASP A 37 -9.568 -2.131 -4.522 1.00 0.00 C ATOM 658 CG ASP A 37 -9.367 -3.338 -3.610 1.00 0.00 C ATOM 659 OD1 ASP A 37 -10.501 -3.673 -2.936 1.00 0.00 O ATOM 660 OD2 ASP A 37 -8.306 -3.942 -3.503 1.00 0.00 O ATOM 0 H ASP A 37 -9.618 -0.484 -6.374 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.678 -3.420 -6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.613 -1.621 -4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.243 -1.427 -4.035 1.00 0.00 H new ATOM 665 N GLY A 38 -12.506 -1.859 -5.570 1.00 0.00 N ATOM 666 CA GLY A 38 -13.992 -1.949 -5.632 1.00 0.00 C ATOM 667 C GLY A 38 -14.760 -0.835 -4.871 1.00 0.00 C ATOM 668 O GLY A 38 -15.859 -1.083 -4.375 1.00 0.00 O ATOM 0 H GLY A 38 -12.174 -0.957 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.297 -1.927 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.297 -2.916 -5.231 1.00 0.00 H new ATOM 672 N ARG A 39 -14.187 0.380 -4.777 1.00 0.00 N ATOM 673 CA ARG A 39 -14.765 1.545 -4.052 1.00 0.00 C ATOM 674 C ARG A 39 -13.927 2.828 -4.393 1.00 0.00 C ATOM 675 O ARG A 39 -14.483 3.770 -4.961 1.00 0.00 O ATOM 676 CB ARG A 39 -14.917 1.312 -2.514 1.00 0.00 C ATOM 677 CG ARG A 39 -15.892 2.304 -1.819 1.00 0.00 C ATOM 678 CD ARG A 39 -15.401 2.875 -0.479 1.00 0.00 C ATOM 679 NE ARG A 39 -15.528 1.928 0.660 1.00 0.00 N ATOM 680 CZ ARG A 39 -15.146 2.196 1.911 1.00 0.00 C ATOM 681 NH1 ARG A 39 -14.563 3.318 2.266 1.00 0.00 N ATOM 682 NH2 ARG A 39 -15.361 1.301 2.831 1.00 0.00 N ATOM 0 H ARG A 39 -13.288 0.591 -5.211 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.788 1.687 -4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -15.268 0.294 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -13.936 1.394 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -16.087 3.133 -2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -16.843 1.798 -1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.356 3.168 -0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -15.965 3.780 -0.252 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.935 1.011 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.380 4.040 1.569 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.293 3.467 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.812 0.419 2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.078 1.482 3.794 1.00 0.00 H new ATOM 696 N GLU A 40 -12.609 2.869 -4.073 1.00 0.00 N ATOM 697 CA GLU A 40 -11.689 3.948 -4.533 1.00 0.00 C ATOM 698 C GLU A 40 -10.551 3.364 -5.436 1.00 0.00 C ATOM 699 O GLU A 40 -10.113 2.215 -5.301 1.00 0.00 O ATOM 700 CB GLU A 40 -11.096 4.721 -3.312 1.00 0.00 C ATOM 701 CG GLU A 40 -11.986 5.841 -2.712 1.00 0.00 C ATOM 702 CD GLU A 40 -13.080 5.401 -1.745 1.00 0.00 C ATOM 703 OE1 GLU A 40 -12.570 5.004 -0.540 1.00 0.00 O ATOM 704 OE2 GLU A 40 -14.276 5.415 -2.018 1.00 0.00 O ATOM 0 H GLU A 40 -12.154 2.163 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.262 4.653 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.875 4.000 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.147 5.163 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.339 6.549 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.456 6.380 -3.535 1.00 0.00 H new ATOM 711 N TYR A 41 -10.038 4.220 -6.334 1.00 0.00 N ATOM 712 CA TYR A 41 -8.833 3.927 -7.155 1.00 0.00 C ATOM 713 C TYR A 41 -7.503 4.052 -6.336 1.00 0.00 C ATOM 714 O TYR A 41 -7.268 5.048 -5.642 1.00 0.00 O ATOM 715 CB TYR A 41 -8.852 4.923 -8.352 1.00 0.00 C ATOM 716 CG TYR A 41 -9.681 4.488 -9.570 1.00 0.00 C ATOM 717 CD1 TYR A 41 -9.123 3.621 -10.517 1.00 0.00 C ATOM 718 CD2 TYR A 41 -10.966 4.995 -9.780 1.00 0.00 C ATOM 719 CE1 TYR A 41 -9.826 3.299 -11.675 1.00 0.00 C ATOM 720 CE2 TYR A 41 -11.679 4.652 -10.928 1.00 0.00 C ATOM 721 CZ TYR A 41 -11.104 3.809 -11.877 1.00 0.00 C ATOM 722 OH TYR A 41 -11.802 3.486 -13.010 1.00 0.00 O ATOM 0 H TYR A 41 -10.441 5.139 -6.518 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.863 2.894 -7.500 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.236 5.880 -7.998 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.825 5.092 -8.676 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.143 3.200 -10.349 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.409 5.656 -9.050 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.379 2.653 -12.416 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.675 5.039 -11.082 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.677 3.926 -12.992 1.00 0.00 H new ATOM 732 N LEU A 42 -6.632 3.035 -6.444 1.00 0.00 N ATOM 733 CA LEU A 42 -5.339 2.979 -5.709 1.00 0.00 C ATOM 734 C LEU A 42 -4.175 3.383 -6.670 1.00 0.00 C ATOM 735 O LEU A 42 -3.725 2.600 -7.514 1.00 0.00 O ATOM 736 CB LEU A 42 -5.145 1.548 -5.127 1.00 0.00 C ATOM 737 CG LEU A 42 -6.186 1.007 -4.111 1.00 0.00 C ATOM 738 CD1 LEU A 42 -5.920 -0.486 -3.843 1.00 0.00 C ATOM 739 CD2 LEU A 42 -6.165 1.781 -2.781 1.00 0.00 C ATOM 0 H LEU A 42 -6.796 2.224 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.340 3.684 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.110 0.853 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.167 1.517 -4.646 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.173 1.143 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.652 -0.864 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.002 -1.043 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.917 -0.609 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.911 1.363 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.177 1.698 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.391 2.831 -2.967 1.00 0.00 H new ATOM 751 N PHE A 43 -3.697 4.628 -6.552 1.00 0.00 N ATOM 752 CA PHE A 43 -2.641 5.196 -7.437 1.00 0.00 C ATOM 753 C PHE A 43 -1.228 4.716 -7.013 1.00 0.00 C ATOM 754 O PHE A 43 -0.927 4.653 -5.822 1.00 0.00 O ATOM 755 CB PHE A 43 -2.719 6.750 -7.360 1.00 0.00 C ATOM 756 CG PHE A 43 -3.905 7.416 -8.081 1.00 0.00 C ATOM 757 CD1 PHE A 43 -5.189 7.368 -7.529 1.00 0.00 C ATOM 758 CD2 PHE A 43 -3.713 8.062 -9.308 1.00 0.00 C ATOM 759 CE1 PHE A 43 -6.265 7.938 -8.202 1.00 0.00 C ATOM 760 CE2 PHE A 43 -4.793 8.641 -9.971 1.00 0.00 C ATOM 761 CZ PHE A 43 -6.066 8.587 -9.414 1.00 0.00 C ATOM 0 H PHE A 43 -4.025 5.282 -5.841 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.810 4.854 -8.458 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.754 7.038 -6.309 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.796 7.159 -7.772 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.346 6.886 -6.575 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.725 8.112 -9.742 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.258 7.876 -7.781 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.641 9.133 -10.920 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.899 9.049 -9.923 1.00 0.00 H new ATOM 771 N HIS A 44 -0.320 4.426 -7.957 1.00 0.00 N ATOM 772 CA HIS A 44 1.090 4.105 -7.598 1.00 0.00 C ATOM 773 C HIS A 44 1.877 5.342 -7.031 1.00 0.00 C ATOM 774 O HIS A 44 1.602 6.498 -7.369 1.00 0.00 O ATOM 775 CB HIS A 44 1.758 3.441 -8.836 1.00 0.00 C ATOM 776 CG HIS A 44 3.074 2.727 -8.529 1.00 0.00 C ATOM 777 ND1 HIS A 44 4.312 3.181 -8.934 1.00 0.00 N ATOM 778 CD2 HIS A 44 3.231 1.630 -7.661 1.00 0.00 C ATOM 779 CE1 HIS A 44 5.120 2.304 -8.257 1.00 0.00 C ATOM 780 NE2 HIS A 44 4.569 1.341 -7.453 1.00 0.00 N ATOM 0 H HIS A 44 -0.520 4.404 -8.957 1.00 0.00 H new ATOM 0 HA HIS A 44 1.110 3.399 -6.768 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.061 2.724 -9.270 1.00 0.00 H new ATOM 0 HB3 HIS A 44 1.940 4.206 -9.591 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.413 1.084 -7.215 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.193 2.372 -8.358 1.00 0.00 H new ATOM 0 HE2 HIS A 44 5.011 0.626 -6.875 1.00 0.00 H new ATOM 788 N GLU A 45 2.884 5.092 -6.174 1.00 0.00 N ATOM 789 CA GLU A 45 3.778 6.167 -5.635 1.00 0.00 C ATOM 790 C GLU A 45 4.568 7.011 -6.705 1.00 0.00 C ATOM 791 O GLU A 45 4.754 8.213 -6.514 1.00 0.00 O ATOM 792 CB GLU A 45 4.694 5.528 -4.542 1.00 0.00 C ATOM 793 CG GLU A 45 4.950 6.385 -3.275 1.00 0.00 C ATOM 794 CD GLU A 45 5.782 7.655 -3.440 1.00 0.00 C ATOM 795 OE1 GLU A 45 7.103 7.380 -3.655 1.00 0.00 O ATOM 796 OE2 GLU A 45 5.310 8.786 -3.360 1.00 0.00 O ATOM 0 H GLU A 45 3.110 4.158 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 45 3.141 6.934 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.249 4.583 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.656 5.293 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.983 6.668 -2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.443 5.754 -2.536 1.00 0.00 H new ATOM 803 N SER A 46 4.973 6.407 -7.840 1.00 0.00 N ATOM 804 CA SER A 46 5.416 7.161 -9.054 1.00 0.00 C ATOM 805 C SER A 46 4.320 7.399 -10.164 1.00 0.00 C ATOM 806 O SER A 46 4.658 7.477 -11.349 1.00 0.00 O ATOM 807 CB SER A 46 6.660 6.402 -9.586 1.00 0.00 C ATOM 808 OG SER A 46 7.729 6.430 -8.640 1.00 0.00 O ATOM 0 H SER A 46 5.006 5.394 -7.952 1.00 0.00 H new ATOM 0 HA SER A 46 5.646 8.187 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.392 5.368 -9.804 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.989 6.851 -10.523 1.00 0.00 H new ATOM 0 HG SER A 46 8.499 5.943 -9.001 1.00 0.00 H new ATOM 814 N ALA A 47 3.026 7.578 -9.817 1.00 0.00 N ATOM 815 CA ALA A 47 1.964 7.960 -10.790 1.00 0.00 C ATOM 816 C ALA A 47 1.892 9.501 -11.016 1.00 0.00 C ATOM 817 O ALA A 47 1.705 10.270 -10.068 1.00 0.00 O ATOM 818 CB ALA A 47 0.631 7.381 -10.281 1.00 0.00 C ATOM 0 H ALA A 47 2.684 7.464 -8.863 1.00 0.00 H new ATOM 0 HA ALA A 47 2.197 7.544 -11.770 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.168 7.644 -10.974 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.708 6.296 -10.212 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.408 7.792 -9.297 1.00 0.00 H new ATOM 824 N VAL A 48 2.058 9.953 -12.271 1.00 0.00 N ATOM 825 CA VAL A 48 2.159 11.413 -12.606 1.00 0.00 C ATOM 826 C VAL A 48 1.395 11.741 -13.931 1.00 0.00 C ATOM 827 O VAL A 48 1.390 10.946 -14.880 1.00 0.00 O ATOM 828 CB VAL A 48 3.643 11.936 -12.641 1.00 0.00 C ATOM 829 CG1 VAL A 48 4.295 12.014 -11.242 1.00 0.00 C ATOM 830 CG2 VAL A 48 4.596 11.175 -13.594 1.00 0.00 C ATOM 0 H VAL A 48 2.127 9.339 -13.082 1.00 0.00 H new ATOM 0 HA VAL A 48 1.673 11.954 -11.794 1.00 0.00 H new ATOM 0 HB VAL A 48 3.520 12.941 -13.046 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.317 12.382 -11.337 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.722 12.693 -10.611 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.307 11.022 -10.790 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.592 11.616 -13.541 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.647 10.127 -13.298 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.222 11.245 -14.615 1.00 0.00 H new ATOM 840 N LYS A 49 0.760 12.932 -14.017 1.00 0.00 N ATOM 841 CA LYS A 49 0.071 13.386 -15.260 1.00 0.00 C ATOM 842 C LYS A 49 1.052 13.824 -16.395 1.00 0.00 C ATOM 843 O LYS A 49 1.893 14.708 -16.200 1.00 0.00 O ATOM 844 CB LYS A 49 -1.055 14.417 -14.960 1.00 0.00 C ATOM 845 CG LYS A 49 -0.710 15.882 -14.594 1.00 0.00 C ATOM 846 CD LYS A 49 -0.217 16.098 -13.150 1.00 0.00 C ATOM 847 CE LYS A 49 -0.252 17.583 -12.754 1.00 0.00 C ATOM 848 NZ LYS A 49 0.185 17.749 -11.355 1.00 0.00 N ATOM 0 H LYS A 49 0.707 13.598 -13.247 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.431 12.510 -15.671 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.702 14.449 -15.837 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.649 14.013 -14.140 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.057 16.240 -15.280 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.595 16.498 -14.755 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.839 15.523 -12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.800 15.719 -13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.396 18.158 -13.415 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.262 17.975 -12.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.515 18.318 -10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.272 16.815 -10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.106 18.231 -11.334 1.00 0.00 H new ATOM 861 N VAL A 50 0.939 13.206 -17.588 1.00 0.00 N ATOM 862 CA VAL A 50 1.908 13.432 -18.706 1.00 0.00 C ATOM 863 C VAL A 50 1.686 14.828 -19.385 1.00 0.00 C ATOM 864 O VAL A 50 0.712 15.053 -20.114 1.00 0.00 O ATOM 865 CB VAL A 50 1.977 12.229 -19.714 1.00 0.00 C ATOM 866 CG1 VAL A 50 2.435 10.909 -19.049 1.00 0.00 C ATOM 867 CG2 VAL A 50 0.695 11.933 -20.525 1.00 0.00 C ATOM 0 H VAL A 50 0.193 12.547 -17.812 1.00 0.00 H new ATOM 0 HA VAL A 50 2.905 13.468 -18.267 1.00 0.00 H new ATOM 0 HB VAL A 50 2.724 12.590 -20.421 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.463 10.116 -19.796 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.430 11.042 -18.624 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.736 10.638 -18.258 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.869 11.082 -21.184 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.122 11.702 -19.842 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.433 12.806 -21.122 1.00 0.00 H new ATOM 877 N ASP A 51 2.578 15.794 -19.101 1.00 0.00 N ATOM 878 CA ASP A 51 2.433 17.194 -19.590 1.00 0.00 C ATOM 879 C ASP A 51 3.301 17.476 -20.858 1.00 0.00 C ATOM 880 O ASP A 51 4.257 18.256 -20.814 1.00 0.00 O ATOM 881 CB ASP A 51 2.686 18.120 -18.368 1.00 0.00 C ATOM 882 CG ASP A 51 2.094 19.514 -18.543 1.00 0.00 C ATOM 883 OD1 ASP A 51 0.884 19.726 -18.595 1.00 0.00 O ATOM 884 OD2 ASP A 51 3.047 20.482 -18.643 1.00 0.00 O ATOM 0 H ASP A 51 3.412 15.639 -18.535 1.00 0.00 H new ATOM 0 HA ASP A 51 1.429 17.395 -19.963 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.260 17.660 -17.476 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.760 18.206 -18.200 1.00 0.00 H new ATOM 889 N LEU A 52 2.922 16.846 -21.994 1.00 0.00 N ATOM 890 CA LEU A 52 3.638 16.960 -23.306 1.00 0.00 C ATOM 891 C LEU A 52 5.072 16.317 -23.323 1.00 0.00 C ATOM 892 O LEU A 52 5.790 16.296 -22.319 1.00 0.00 O ATOM 893 CB LEU A 52 3.621 18.411 -23.883 1.00 0.00 C ATOM 894 CG LEU A 52 2.215 19.006 -24.200 1.00 0.00 C ATOM 895 CD1 LEU A 52 2.073 20.432 -23.641 1.00 0.00 C ATOM 896 CD2 LEU A 52 1.914 19.005 -25.709 1.00 0.00 C ATOM 0 H LEU A 52 2.105 16.237 -22.036 1.00 0.00 H new ATOM 0 HA LEU A 52 3.052 16.346 -23.990 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.120 19.069 -23.172 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.213 18.423 -24.798 1.00 0.00 H new ATOM 0 HG LEU A 52 1.487 18.360 -23.709 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.082 20.819 -23.879 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.206 20.414 -22.559 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.831 21.075 -24.089 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.925 19.428 -25.883 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.661 19.604 -26.229 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.943 17.982 -26.085 1.00 0.00 H new ATOM 908 N ASN A 53 5.502 15.801 -24.490 1.00 0.00 N ATOM 909 CA ASN A 53 6.841 15.157 -24.640 1.00 0.00 C ATOM 910 C ASN A 53 7.763 16.039 -25.539 1.00 0.00 C ATOM 911 O ASN A 53 7.835 15.861 -26.758 1.00 0.00 O ATOM 912 CB ASN A 53 6.666 13.699 -25.154 1.00 0.00 C ATOM 913 CG ASN A 53 5.996 12.730 -24.169 1.00 0.00 C ATOM 914 OD1 ASN A 53 4.805 12.450 -24.243 1.00 0.00 O ATOM 915 ND2 ASN A 53 6.721 12.200 -23.212 1.00 0.00 N ATOM 0 H ASN A 53 4.950 15.813 -25.347 1.00 0.00 H new ATOM 0 HA ASN A 53 7.342 15.086 -23.675 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.077 13.723 -26.071 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.647 13.304 -25.416 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.292 11.563 -22.541 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.713 12.425 -23.140 1.00 0.00 H new ATOM 922 N ARG A 54 8.469 17.001 -24.914 1.00 0.00 N ATOM 923 CA ARG A 54 9.423 17.905 -25.620 1.00 0.00 C ATOM 924 C ARG A 54 10.909 17.378 -25.597 1.00 0.00 C ATOM 925 O ARG A 54 11.361 16.959 -24.524 1.00 0.00 O ATOM 926 CB ARG A 54 9.290 19.349 -25.052 1.00 0.00 C ATOM 927 CG ARG A 54 9.734 19.588 -23.584 1.00 0.00 C ATOM 928 CD ARG A 54 9.608 21.060 -23.147 1.00 0.00 C ATOM 929 NE ARG A 54 10.069 21.235 -21.739 1.00 0.00 N ATOM 930 CZ ARG A 54 9.312 21.108 -20.646 1.00 0.00 C ATOM 931 NH1 ARG A 54 8.039 20.796 -20.677 1.00 0.00 N ATOM 932 NH2 ARG A 54 9.869 21.299 -19.486 1.00 0.00 N ATOM 0 H ARG A 54 8.401 17.180 -23.912 1.00 0.00 H new ATOM 0 HA ARG A 54 9.154 17.921 -26.676 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.869 20.016 -25.691 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.246 19.650 -25.140 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.131 18.966 -22.922 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.769 19.268 -23.467 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.199 21.693 -23.809 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.571 21.384 -23.238 1.00 0.00 H new ATOM 0 HE ARG A 54 11.051 21.473 -21.598 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.575 20.636 -21.571 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.513 20.713 -19.807 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.859 21.539 -19.429 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.316 21.209 -18.634 1.00 0.00 H new ATOM 946 N PRO A 55 11.722 17.416 -26.697 1.00 0.00 N ATOM 947 CA PRO A 55 13.159 17.021 -26.645 1.00 0.00 C ATOM 948 C PRO A 55 14.117 18.077 -25.991 1.00 0.00 C ATOM 949 O PRO A 55 13.808 19.270 -25.890 1.00 0.00 O ATOM 950 CB PRO A 55 13.447 16.766 -28.139 1.00 0.00 C ATOM 951 CG PRO A 55 12.542 17.744 -28.891 1.00 0.00 C ATOM 952 CD PRO A 55 11.265 17.791 -28.052 1.00 0.00 C ATOM 0 HA PRO A 55 13.343 16.165 -25.996 1.00 0.00 H new ATOM 0 HB2 PRO A 55 14.497 16.940 -28.374 1.00 0.00 H new ATOM 0 HB3 PRO A 55 13.226 15.734 -28.413 1.00 0.00 H new ATOM 0 HG2 PRO A 55 13.001 18.729 -28.973 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.340 17.401 -29.906 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.815 18.784 -28.062 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.513 17.097 -28.428 1.00 0.00 H new ATOM 960 N VAL A 56 15.302 17.618 -25.551 1.00 0.00 N ATOM 961 CA VAL A 56 16.313 18.487 -24.868 1.00 0.00 C ATOM 962 C VAL A 56 17.265 19.199 -25.894 1.00 0.00 C ATOM 963 O VAL A 56 17.969 18.549 -26.673 1.00 0.00 O ATOM 964 CB VAL A 56 17.096 17.724 -23.739 1.00 0.00 C ATOM 965 CG1 VAL A 56 16.201 17.344 -22.537 1.00 0.00 C ATOM 966 CG2 VAL A 56 17.889 16.471 -24.181 1.00 0.00 C ATOM 0 H VAL A 56 15.597 16.647 -25.651 1.00 0.00 H new ATOM 0 HA VAL A 56 15.758 19.278 -24.363 1.00 0.00 H new ATOM 0 HB VAL A 56 17.834 18.469 -23.443 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.798 16.820 -21.791 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.781 18.248 -22.096 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.393 16.696 -22.876 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.386 16.031 -23.316 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.205 15.742 -24.616 1.00 0.00 H new ATOM 0 HG23 VAL A 56 18.635 16.756 -24.923 1.00 0.00 H new ATOM 976 N THR A 57 17.289 20.543 -25.876 1.00 0.00 N ATOM 977 CA THR A 57 18.114 21.366 -26.815 1.00 0.00 C ATOM 978 C THR A 57 19.426 21.873 -26.134 1.00 0.00 C ATOM 979 O THR A 57 19.358 22.533 -25.090 1.00 0.00 O ATOM 980 CB THR A 57 17.310 22.602 -27.330 1.00 0.00 C ATOM 981 OG1 THR A 57 16.890 23.423 -26.239 1.00 0.00 O ATOM 982 CG2 THR A 57 16.075 22.275 -28.184 1.00 0.00 C ATOM 0 H THR A 57 16.744 21.100 -25.218 1.00 0.00 H new ATOM 0 HA THR A 57 18.373 20.719 -27.653 1.00 0.00 H new ATOM 0 HB THR A 57 18.014 23.121 -27.980 1.00 0.00 H new ATOM 0 HG1 THR A 57 17.502 23.301 -25.483 1.00 0.00 H new ATOM 0 HG21 THR A 57 15.589 23.201 -28.490 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.382 21.716 -29.068 1.00 0.00 H new ATOM 0 HG23 THR A 57 15.377 21.675 -27.600 1.00 0.00 H new ATOM 990 N GLY A 58 20.592 21.641 -26.763 1.00 0.00 N ATOM 991 CA GLY A 58 21.890 22.211 -26.299 1.00 0.00 C ATOM 992 C GLY A 58 22.695 22.978 -27.375 1.00 0.00 C ATOM 993 O GLY A 58 22.238 23.227 -28.496 1.00 0.00 O ATOM 0 H GLY A 58 20.672 21.061 -27.598 1.00 0.00 H new ATOM 0 HA2 GLY A 58 21.695 22.885 -25.465 1.00 0.00 H new ATOM 0 HA3 GLY A 58 22.508 21.400 -25.915 1.00 0.00 H new ATOM 997 N SER A 59 23.916 23.401 -27.012 1.00 0.00 N ATOM 998 CA SER A 59 24.848 24.118 -27.936 1.00 0.00 C ATOM 999 C SER A 59 26.305 24.108 -27.374 1.00 0.00 C ATOM 1000 O SER A 59 26.529 24.336 -26.180 1.00 0.00 O ATOM 1001 CB SER A 59 24.376 25.571 -28.209 1.00 0.00 C ATOM 1002 OG SER A 59 23.195 25.571 -29.012 1.00 0.00 O ATOM 0 H SER A 59 24.297 23.263 -26.076 1.00 0.00 H new ATOM 0 HA SER A 59 24.841 23.584 -28.886 1.00 0.00 H new ATOM 0 HB2 SER A 59 24.181 26.080 -27.265 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.166 26.127 -28.714 1.00 0.00 H new ATOM 0 HG SER A 59 22.940 24.648 -29.219 1.00 0.00 H new ATOM 1008 N LEU A 60 27.296 23.862 -28.250 1.00 0.00 N ATOM 1009 CA LEU A 60 28.745 23.873 -27.889 1.00 0.00 C ATOM 1010 C LEU A 60 29.554 24.931 -28.711 1.00 0.00 C ATOM 1011 O LEU A 60 29.256 25.200 -29.879 1.00 0.00 O ATOM 1012 CB LEU A 60 29.342 22.432 -27.977 1.00 0.00 C ATOM 1013 CG LEU A 60 29.662 21.798 -29.365 1.00 0.00 C ATOM 1014 CD1 LEU A 60 30.579 20.574 -29.192 1.00 0.00 C ATOM 1015 CD2 LEU A 60 28.408 21.371 -30.150 1.00 0.00 C ATOM 0 H LEU A 60 27.125 23.648 -29.233 1.00 0.00 H new ATOM 0 HA LEU A 60 28.835 24.193 -26.851 1.00 0.00 H new ATOM 0 HB2 LEU A 60 30.267 22.430 -27.400 1.00 0.00 H new ATOM 0 HB3 LEU A 60 28.648 21.763 -27.469 1.00 0.00 H new ATOM 0 HG LEU A 60 30.158 22.578 -29.942 1.00 0.00 H new ATOM 0 HD11 LEU A 60 30.795 20.140 -30.168 1.00 0.00 H new ATOM 0 HD12 LEU A 60 31.511 20.882 -28.717 1.00 0.00 H new ATOM 0 HD13 LEU A 60 30.081 19.832 -28.568 1.00 0.00 H new ATOM 0 HD21 LEU A 60 28.706 20.939 -31.105 1.00 0.00 H new ATOM 0 HD22 LEU A 60 27.853 20.631 -29.574 1.00 0.00 H new ATOM 0 HD23 LEU A 60 27.776 22.241 -30.327 1.00 0.00 H new ATOM 1027 N LEU A 61 30.614 25.497 -28.103 1.00 0.00 N ATOM 1028 CA LEU A 61 31.566 26.413 -28.798 1.00 0.00 C ATOM 1029 C LEU A 61 33.043 25.949 -28.585 1.00 0.00 C ATOM 1030 O LEU A 61 33.422 25.516 -27.490 1.00 0.00 O ATOM 1031 CB LEU A 61 31.277 27.890 -28.388 1.00 0.00 C ATOM 1032 CG LEU A 61 31.642 28.358 -26.945 1.00 0.00 C ATOM 1033 CD1 LEU A 61 33.068 28.937 -26.861 1.00 0.00 C ATOM 1034 CD2 LEU A 61 30.650 29.418 -26.437 1.00 0.00 C ATOM 0 H LEU A 61 30.842 25.339 -27.121 1.00 0.00 H new ATOM 0 HA LEU A 61 31.414 26.368 -29.876 1.00 0.00 H new ATOM 0 HB2 LEU A 61 31.807 28.536 -29.088 1.00 0.00 H new ATOM 0 HB3 LEU A 61 30.212 28.070 -28.533 1.00 0.00 H new ATOM 0 HG LEU A 61 31.588 27.469 -26.317 1.00 0.00 H new ATOM 0 HD11 LEU A 61 33.274 29.248 -25.837 1.00 0.00 H new ATOM 0 HD12 LEU A 61 33.788 28.176 -27.161 1.00 0.00 H new ATOM 0 HD13 LEU A 61 33.151 29.797 -27.526 1.00 0.00 H new ATOM 0 HD21 LEU A 61 30.930 29.725 -25.429 1.00 0.00 H new ATOM 0 HD22 LEU A 61 30.672 30.284 -27.099 1.00 0.00 H new ATOM 0 HD23 LEU A 61 29.644 28.998 -26.422 1.00 0.00 H new ATOM 1046 N LYS A 62 33.887 26.066 -29.627 1.00 0.00 N ATOM 1047 CA LYS A 62 35.341 25.745 -29.536 1.00 0.00 C ATOM 1048 C LYS A 62 36.195 26.924 -30.100 1.00 0.00 C ATOM 1049 O LYS A 62 35.870 27.488 -31.151 1.00 0.00 O ATOM 1050 CB LYS A 62 35.629 24.402 -30.273 1.00 0.00 C ATOM 1051 CG LYS A 62 36.766 23.572 -29.630 1.00 0.00 C ATOM 1052 CD LYS A 62 36.326 22.824 -28.341 1.00 0.00 C ATOM 1053 CE LYS A 62 37.224 23.028 -27.108 1.00 0.00 C ATOM 1054 NZ LYS A 62 38.544 22.385 -27.267 1.00 0.00 N ATOM 0 H LYS A 62 33.593 26.382 -30.551 1.00 0.00 H new ATOM 0 HA LYS A 62 35.625 25.618 -28.491 1.00 0.00 H new ATOM 0 HB2 LYS A 62 34.718 23.804 -30.289 1.00 0.00 H new ATOM 0 HB3 LYS A 62 35.888 24.615 -31.310 1.00 0.00 H new ATOM 0 HG2 LYS A 62 37.132 22.846 -30.356 1.00 0.00 H new ATOM 0 HG3 LYS A 62 37.599 24.233 -29.392 1.00 0.00 H new ATOM 0 HD2 LYS A 62 35.315 23.141 -28.087 1.00 0.00 H new ATOM 0 HD3 LYS A 62 36.280 21.757 -28.561 1.00 0.00 H new ATOM 0 HE2 LYS A 62 37.360 24.095 -26.932 1.00 0.00 H new ATOM 0 HE3 LYS A 62 36.727 22.621 -26.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 39.115 22.548 -26.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 38.417 21.362 -27.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 39.031 22.791 -28.092 1.00 0.00 H new ATOM 1067 N ARG A 63 37.291 27.298 -29.411 1.00 0.00 N ATOM 1068 CA ARG A 63 38.168 28.426 -29.843 1.00 0.00 C ATOM 1069 C ARG A 63 39.685 28.083 -29.698 1.00 0.00 C ATOM 1070 O ARG A 63 40.152 27.654 -28.637 1.00 0.00 O ATOM 1071 CB ARG A 63 37.717 29.758 -29.173 1.00 0.00 C ATOM 1072 CG ARG A 63 37.812 29.934 -27.634 1.00 0.00 C ATOM 1073 CD ARG A 63 39.216 30.311 -27.103 1.00 0.00 C ATOM 1074 NE ARG A 63 39.141 31.156 -25.874 1.00 0.00 N ATOM 1075 CZ ARG A 63 38.992 32.485 -25.859 1.00 0.00 C ATOM 1076 NH1 ARG A 63 38.888 33.214 -26.944 1.00 0.00 N ATOM 1077 NH2 ARG A 63 38.936 33.091 -24.709 1.00 0.00 N ATOM 0 H ARG A 63 37.598 26.841 -28.552 1.00 0.00 H new ATOM 0 HA ARG A 63 38.044 28.584 -30.914 1.00 0.00 H new ATOM 0 HB2 ARG A 63 38.300 30.560 -29.626 1.00 0.00 H new ATOM 0 HB3 ARG A 63 36.677 29.923 -29.453 1.00 0.00 H new ATOM 0 HG2 ARG A 63 37.105 30.705 -27.328 1.00 0.00 H new ATOM 0 HG3 ARG A 63 37.497 29.006 -27.157 1.00 0.00 H new ATOM 0 HD2 ARG A 63 39.777 29.402 -26.885 1.00 0.00 H new ATOM 0 HD3 ARG A 63 39.765 30.846 -27.878 1.00 0.00 H new ATOM 0 HE ARG A 63 39.209 30.681 -24.974 1.00 0.00 H new ATOM 0 HH11 ARG A 63 38.919 32.770 -27.862 1.00 0.00 H new ATOM 0 HH12 ARG A 63 38.776 34.225 -26.870 1.00 0.00 H new ATOM 0 HH21 ARG A 63 39.005 32.553 -23.845 1.00 0.00 H new ATOM 0 HH22 ARG A 63 38.823 34.104 -24.671 1.00 0.00 H new ATOM 1091 N ILE A 64 40.454 28.287 -30.782 1.00 0.00 N ATOM 1092 CA ILE A 64 41.910 27.950 -30.842 1.00 0.00 C ATOM 1093 C ILE A 64 42.709 29.288 -30.670 1.00 0.00 C ATOM 1094 O ILE A 64 42.584 30.195 -31.500 1.00 0.00 O ATOM 1095 CB ILE A 64 42.239 27.188 -32.183 1.00 0.00 C ATOM 1096 CG1 ILE A 64 41.459 25.844 -32.352 1.00 0.00 C ATOM 1097 CG2 ILE A 64 43.758 26.903 -32.344 1.00 0.00 C ATOM 1098 CD1 ILE A 64 41.400 25.294 -33.790 1.00 0.00 C ATOM 0 H ILE A 64 40.095 28.690 -31.648 1.00 0.00 H new ATOM 0 HA ILE A 64 42.202 27.270 -30.042 1.00 0.00 H new ATOM 0 HB ILE A 64 41.909 27.873 -32.964 1.00 0.00 H new ATOM 0 HG12 ILE A 64 41.920 25.092 -31.712 1.00 0.00 H new ATOM 0 HG13 ILE A 64 40.440 25.987 -31.993 1.00 0.00 H new ATOM 0 HG21 ILE A 64 43.932 26.377 -33.283 1.00 0.00 H new ATOM 0 HG22 ILE A 64 44.306 27.845 -32.349 1.00 0.00 H new ATOM 0 HG23 ILE A 64 44.103 26.287 -31.514 1.00 0.00 H new ATOM 0 HD11 ILE A 64 40.838 24.360 -33.800 1.00 0.00 H new ATOM 0 HD12 ILE A 64 40.909 26.020 -34.437 1.00 0.00 H new ATOM 0 HD13 ILE A 64 42.412 25.112 -34.152 1.00 0.00 H new ATOM 1110 N ARG A 65 43.538 29.405 -29.613 1.00 0.00 N ATOM 1111 CA ARG A 65 44.440 30.581 -29.423 1.00 0.00 C ATOM 1112 C ARG A 65 45.927 30.268 -29.795 1.00 0.00 C ATOM 1113 O ARG A 65 46.490 29.256 -29.365 1.00 0.00 O ATOM 1114 CB ARG A 65 44.278 31.201 -28.005 1.00 0.00 C ATOM 1115 CG ARG A 65 44.753 30.427 -26.744 1.00 0.00 C ATOM 1116 CD ARG A 65 43.711 29.461 -26.144 1.00 0.00 C ATOM 1117 NE ARG A 65 44.132 29.094 -24.762 1.00 0.00 N ATOM 1118 CZ ARG A 65 43.349 28.544 -23.834 1.00 0.00 C ATOM 1119 NH1 ARG A 65 42.142 28.097 -24.078 1.00 0.00 N ATOM 1120 NH2 ARG A 65 43.810 28.440 -22.620 1.00 0.00 N ATOM 0 H ARG A 65 43.608 28.706 -28.874 1.00 0.00 H new ATOM 0 HA ARG A 65 44.125 31.346 -30.133 1.00 0.00 H new ATOM 0 HB2 ARG A 65 44.801 32.157 -28.011 1.00 0.00 H new ATOM 0 HB3 ARG A 65 43.219 31.418 -27.868 1.00 0.00 H new ATOM 0 HG2 ARG A 65 45.648 29.860 -26.999 1.00 0.00 H new ATOM 0 HG3 ARG A 65 45.040 31.149 -25.979 1.00 0.00 H new ATOM 0 HD2 ARG A 65 42.728 29.931 -26.126 1.00 0.00 H new ATOM 0 HD3 ARG A 65 43.626 28.567 -26.762 1.00 0.00 H new ATOM 0 HE ARG A 65 45.101 29.279 -24.505 1.00 0.00 H new ATOM 0 HH11 ARG A 65 41.755 28.160 -25.020 1.00 0.00 H new ATOM 0 HH12 ARG A 65 41.589 27.685 -23.326 1.00 0.00 H new ATOM 0 HH21 ARG A 65 44.748 28.775 -22.400 1.00 0.00 H new ATOM 0 HH22 ARG A 65 43.233 28.023 -21.889 1.00 0.00 H new ATOM 1134 N ASN A 66 46.568 31.163 -30.567 1.00 0.00 N ATOM 1135 CA ASN A 66 48.008 31.049 -30.935 1.00 0.00 C ATOM 1136 C ASN A 66 48.987 31.682 -29.885 1.00 0.00 C ATOM 1137 O ASN A 66 48.674 32.692 -29.246 1.00 0.00 O ATOM 1138 CB ASN A 66 48.203 31.637 -32.366 1.00 0.00 C ATOM 1139 CG ASN A 66 47.964 33.146 -32.554 1.00 0.00 C ATOM 1140 OD1 ASN A 66 46.833 33.612 -32.638 1.00 0.00 O ATOM 1141 ND2 ASN A 66 49.000 33.950 -32.610 1.00 0.00 N ATOM 0 H ASN A 66 46.112 31.988 -30.957 1.00 0.00 H new ATOM 0 HA ASN A 66 48.276 29.992 -30.933 1.00 0.00 H new ATOM 0 HB2 ASN A 66 49.222 31.416 -32.684 1.00 0.00 H new ATOM 0 HB3 ASN A 66 47.535 31.104 -33.042 1.00 0.00 H new ATOM 0 HD21 ASN A 66 48.861 34.954 -32.723 1.00 0.00 H new ATOM 0 HD22 ASN A 66 49.944 33.571 -32.541 1.00 0.00 H new ATOM 1148 N GLY A 67 50.202 31.118 -29.770 1.00 0.00 N ATOM 1149 CA GLY A 67 51.335 31.786 -29.067 1.00 0.00 C ATOM 1150 C GLY A 67 52.377 32.453 -30.001 1.00 0.00 C ATOM 1151 O GLY A 67 52.254 32.438 -31.231 1.00 0.00 O ATOM 0 H GLY A 67 50.435 30.201 -30.152 1.00 0.00 H new ATOM 0 HA2 GLY A 67 50.931 32.544 -28.396 1.00 0.00 H new ATOM 0 HA3 GLY A 67 51.844 31.049 -28.446 1.00 0.00 H new ATOM 1155 N LYS A 68 53.420 33.052 -29.399 1.00 0.00 N ATOM 1156 CA LYS A 68 54.530 33.703 -30.159 1.00 0.00 C ATOM 1157 C LYS A 68 55.844 33.698 -29.305 1.00 0.00 C ATOM 1158 O LYS A 68 55.847 34.133 -28.149 1.00 0.00 O ATOM 1159 CB LYS A 68 54.099 35.134 -30.621 1.00 0.00 C ATOM 1160 CG LYS A 68 54.784 35.659 -31.906 1.00 0.00 C ATOM 1161 CD LYS A 68 56.174 36.290 -31.692 1.00 0.00 C ATOM 1162 CE LYS A 68 56.948 36.472 -33.006 1.00 0.00 C ATOM 1163 NZ LYS A 68 58.310 36.954 -32.705 1.00 0.00 N ATOM 0 H LYS A 68 53.528 33.105 -28.386 1.00 0.00 H new ATOM 0 HA LYS A 68 54.745 33.135 -31.064 1.00 0.00 H new ATOM 0 HB2 LYS A 68 53.021 35.135 -30.780 1.00 0.00 H new ATOM 0 HB3 LYS A 68 54.303 35.834 -29.811 1.00 0.00 H new ATOM 0 HG2 LYS A 68 54.881 34.833 -32.611 1.00 0.00 H new ATOM 0 HG3 LYS A 68 54.133 36.400 -32.370 1.00 0.00 H new ATOM 0 HD2 LYS A 68 56.058 37.259 -31.205 1.00 0.00 H new ATOM 0 HD3 LYS A 68 56.754 35.661 -31.017 1.00 0.00 H new ATOM 0 HE2 LYS A 68 56.995 35.527 -33.548 1.00 0.00 H new ATOM 0 HE3 LYS A 68 56.432 37.184 -33.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 58.875 36.966 -33.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 58.259 37.916 -32.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 58.757 36.321 -32.012 1.00 0.00 H new ATOM 1176 N LYS A 69 56.961 33.209 -29.879 1.00 0.00 N ATOM 1177 CA LYS A 69 58.292 33.166 -29.198 1.00 0.00 C ATOM 1178 C LYS A 69 59.244 34.351 -29.591 1.00 0.00 C ATOM 1179 O LYS A 69 59.191 34.881 -30.707 1.00 0.00 O ATOM 1180 CB LYS A 69 58.910 31.751 -29.427 1.00 0.00 C ATOM 1181 CG LYS A 69 59.390 31.373 -30.856 1.00 0.00 C ATOM 1182 CD LYS A 69 60.832 31.825 -31.202 1.00 0.00 C ATOM 1183 CE LYS A 69 60.935 32.523 -32.567 1.00 0.00 C ATOM 1184 NZ LYS A 69 62.332 32.924 -32.827 1.00 0.00 N ATOM 0 H LYS A 69 56.977 32.831 -30.826 1.00 0.00 H new ATOM 0 HA LYS A 69 58.151 33.320 -28.128 1.00 0.00 H new ATOM 0 HB2 LYS A 69 59.761 31.648 -28.754 1.00 0.00 H new ATOM 0 HB3 LYS A 69 58.170 31.012 -29.120 1.00 0.00 H new ATOM 0 HG2 LYS A 69 59.327 30.291 -30.970 1.00 0.00 H new ATOM 0 HG3 LYS A 69 58.704 31.810 -31.581 1.00 0.00 H new ATOM 0 HD2 LYS A 69 61.190 32.502 -30.427 1.00 0.00 H new ATOM 0 HD3 LYS A 69 61.490 30.956 -31.195 1.00 0.00 H new ATOM 0 HE2 LYS A 69 60.588 31.853 -33.354 1.00 0.00 H new ATOM 0 HE3 LYS A 69 60.287 33.399 -32.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 62.391 33.395 -33.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 62.649 33.579 -32.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 62.941 32.081 -32.828 1.00 0.00 H new ATOM 1197 N ALA A 70 60.151 34.745 -28.675 1.00 0.00 N ATOM 1198 CA ALA A 70 61.187 35.783 -28.945 1.00 0.00 C ATOM 1199 C ALA A 70 62.495 35.549 -28.118 1.00 0.00 C ATOM 1200 O ALA A 70 62.456 35.062 -26.983 1.00 0.00 O ATOM 1201 CB ALA A 70 60.576 37.170 -28.644 1.00 0.00 C ATOM 0 H ALA A 70 60.193 34.361 -27.731 1.00 0.00 H new ATOM 0 HA ALA A 70 61.482 35.723 -29.993 1.00 0.00 H new ATOM 0 HB1 ALA A 70 61.319 37.944 -28.835 1.00 0.00 H new ATOM 0 HB2 ALA A 70 59.709 37.333 -29.285 1.00 0.00 H new ATOM 0 HB3 ALA A 70 60.268 37.213 -27.599 1.00 0.00 H new ATOM 1207 N LYS A 71 63.658 35.929 -28.683 1.00 0.00 N ATOM 1208 CA LYS A 71 64.967 35.902 -27.962 1.00 0.00 C ATOM 1209 C LYS A 71 65.831 37.187 -28.220 1.00 0.00 C ATOM 1210 O LYS A 71 65.583 37.961 -29.152 1.00 0.00 O ATOM 1211 CB LYS A 71 65.706 34.559 -28.232 1.00 0.00 C ATOM 1212 CG LYS A 71 66.375 34.390 -29.615 1.00 0.00 C ATOM 1213 CD LYS A 71 67.307 33.163 -29.659 1.00 0.00 C ATOM 1214 CE LYS A 71 68.280 33.175 -30.846 1.00 0.00 C ATOM 1215 NZ LYS A 71 67.619 32.817 -32.117 1.00 0.00 N ATOM 0 H LYS A 71 63.728 36.263 -29.644 1.00 0.00 H new ATOM 0 HA LYS A 71 64.772 35.936 -26.890 1.00 0.00 H new ATOM 0 HB2 LYS A 71 66.473 34.435 -27.468 1.00 0.00 H new ATOM 0 HB3 LYS A 71 64.991 33.747 -28.100 1.00 0.00 H new ATOM 0 HG2 LYS A 71 65.605 34.288 -30.380 1.00 0.00 H new ATOM 0 HG3 LYS A 71 66.946 35.288 -29.854 1.00 0.00 H new ATOM 0 HD2 LYS A 71 67.878 33.117 -28.732 1.00 0.00 H new ATOM 0 HD3 LYS A 71 66.701 32.258 -29.705 1.00 0.00 H new ATOM 0 HE2 LYS A 71 68.726 34.166 -30.937 1.00 0.00 H new ATOM 0 HE3 LYS A 71 69.094 32.476 -30.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 68.316 32.839 -32.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 67.216 31.861 -32.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 66.859 33.498 -32.317 1.00 0.00 H new ATOM 1228 N SER A 72 66.890 37.392 -27.412 1.00 0.00 N ATOM 1229 CA SER A 72 67.851 38.517 -27.595 1.00 0.00 C ATOM 1230 C SER A 72 68.760 38.364 -28.846 1.00 0.00 C ATOM 1231 O SER A 72 69.365 37.314 -29.075 1.00 0.00 O ATOM 1232 CB SER A 72 68.713 38.651 -26.316 1.00 0.00 C ATOM 1233 OG SER A 72 67.925 38.949 -25.161 1.00 0.00 O ATOM 1234 OXT SER A 72 68.895 39.309 -29.623 1.00 0.00 O ATOM 0 H SER A 72 67.109 36.791 -26.617 1.00 0.00 H new ATOM 0 HA SER A 72 67.265 39.420 -27.765 1.00 0.00 H new ATOM 0 HB2 SER A 72 69.260 37.723 -26.150 1.00 0.00 H new ATOM 0 HB3 SER A 72 69.454 39.437 -26.460 1.00 0.00 H new ATOM 0 HG SER A 72 68.508 39.023 -24.377 1.00 0.00 H new TER 1240 SER A 72