USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 849 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 23 ASN : amide:sc= -4.61! C(o=-4.6!,f=-5.2!) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.0825 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 5 ASN : amide:sc= -0.701 K(o=-0.7,f=-4.9!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 100:sc= 0.0864 USER MOD Single : A 15 GLN : amide:sc= -2.96! K(o=-3!,f=-0.74) USER MOD Single : A 16 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-2.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -24:sc= 0.893 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0847 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.609 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -5.93! C(o=-5.9!,f=-6.9!) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0482) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.89) USER MOD Single : A 62 LYS NZ :NH3+ -156:sc=-0.00422 (180deg=-0.535) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 120:sc=0.000698 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 71:sc= -0.333 USER MOD Single : A 84 ASN : amide:sc= -6.3! C(o=-6.3!,f=-9.1!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -130:sc= -1.18 USER MOD Single : A 91 SER OG : rot -87:sc= -3.96! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -1.82! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 51:sc= -0.146 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00808 USER MOD Single : A 102 HIS : no HE2:sc= -1.76 K(o=-1.8,f=-4.6!) USER MOD Single : A 103 TYR OH : rot -75:sc= -1.59! USER MOD Single : A 104 GLN : amide:sc= -0.371 K(o=-0.37,f=-3.4!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 159:sc= -1.34 (180deg=-2.19!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.632 19.960 2.137 1.00 0.00 N ATOM 2 CA ALA A 1 7.785 18.939 1.458 1.00 0.00 C ATOM 3 C ALA A 1 7.217 17.973 2.500 1.00 0.00 C ATOM 4 O ALA A 1 7.710 17.878 3.607 1.00 0.00 O ATOM 5 CB ALA A 1 8.634 18.158 0.452 1.00 0.00 C ATOM 0 H1 ALA A 1 8.207 20.901 2.013 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.696 19.739 3.151 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.585 19.953 1.721 1.00 0.00 H new ATOM 0 HA ALA A 1 6.967 19.436 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.015 17.411 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.041 18.844 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.452 17.662 0.974 1.00 0.00 H new ATOM 13 N GLN A 2 6.181 17.257 2.156 1.00 0.00 N ATOM 14 CA GLN A 2 5.583 16.299 3.127 1.00 0.00 C ATOM 15 C GLN A 2 5.423 14.931 2.461 1.00 0.00 C ATOM 16 O GLN A 2 4.720 14.787 1.479 1.00 0.00 O ATOM 17 CB GLN A 2 4.213 16.813 3.573 1.00 0.00 C ATOM 18 CG GLN A 2 4.278 18.326 3.788 1.00 0.00 C ATOM 19 CD GLN A 2 2.951 18.816 4.373 1.00 0.00 C ATOM 20 OE1 GLN A 2 2.076 18.027 4.669 1.00 0.00 O ATOM 21 NE2 GLN A 2 2.763 20.096 4.552 1.00 0.00 N ATOM 0 H GLN A 2 5.724 17.295 1.245 1.00 0.00 H new ATOM 0 HA GLN A 2 6.236 16.206 3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.461 16.574 2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.910 16.317 4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.098 18.573 4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.479 18.830 2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.497 20.759 4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.882 20.433 4.940 1.00 0.00 H new ATOM 30 N VAL A 3 6.069 13.925 2.985 1.00 0.00 N ATOM 31 CA VAL A 3 5.952 12.567 2.381 1.00 0.00 C ATOM 32 C VAL A 3 4.554 12.008 2.652 1.00 0.00 C ATOM 33 O VAL A 3 3.923 12.339 3.637 1.00 0.00 O ATOM 34 CB VAL A 3 6.999 11.640 3.000 1.00 0.00 C ATOM 35 CG1 VAL A 3 8.387 12.270 2.857 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.684 11.434 4.482 1.00 0.00 C ATOM 0 H VAL A 3 6.673 13.985 3.805 1.00 0.00 H new ATOM 0 HA VAL A 3 6.116 12.633 1.305 1.00 0.00 H new ATOM 0 HB VAL A 3 6.982 10.678 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.134 11.610 3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.612 12.418 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.405 13.232 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.430 10.773 4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.702 12.396 4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.696 10.986 4.585 1.00 0.00 H new ATOM 46 N ILE A 4 4.063 11.165 1.787 1.00 0.00 N ATOM 47 CA ILE A 4 2.707 10.587 1.997 1.00 0.00 C ATOM 48 C ILE A 4 2.824 9.080 2.237 1.00 0.00 C ATOM 49 O ILE A 4 2.742 8.288 1.320 1.00 0.00 O ATOM 50 CB ILE A 4 1.848 10.844 0.757 1.00 0.00 C ATOM 51 CG1 ILE A 4 2.083 12.274 0.265 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.371 10.665 1.112 1.00 0.00 C ATOM 53 CD1 ILE A 4 2.839 12.240 -1.065 1.00 0.00 C ATOM 0 H ILE A 4 4.543 10.851 0.943 1.00 0.00 H new ATOM 0 HA ILE A 4 2.242 11.055 2.865 1.00 0.00 H new ATOM 0 HB ILE A 4 2.121 10.138 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.130 12.788 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.653 12.835 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.240 10.848 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.202 9.648 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.097 11.371 1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.006 13.259 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.799 11.742 -0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.252 11.695 -1.804 1.00 0.00 H new ATOM 65 N ASN A 5 3.015 8.678 3.464 1.00 0.00 N ATOM 66 CA ASN A 5 3.136 7.223 3.762 1.00 0.00 C ATOM 67 C ASN A 5 2.284 6.880 4.987 1.00 0.00 C ATOM 68 O ASN A 5 2.741 6.242 5.914 1.00 0.00 O ATOM 69 CB ASN A 5 4.599 6.879 4.047 1.00 0.00 C ATOM 70 CG ASN A 5 5.033 7.536 5.357 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.744 8.693 5.595 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.721 6.844 6.225 1.00 0.00 N ATOM 0 H ASN A 5 3.092 9.295 4.273 1.00 0.00 H new ATOM 0 HA ASN A 5 2.788 6.648 2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.723 5.798 4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.231 7.224 3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.015 7.274 7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.964 5.873 6.026 1.00 0.00 H new ATOM 79 N THR A 6 1.050 7.301 4.997 1.00 0.00 N ATOM 80 CA THR A 6 0.169 7.000 6.161 1.00 0.00 C ATOM 81 C THR A 6 -1.199 6.539 5.658 1.00 0.00 C ATOM 82 O THR A 6 -1.387 6.287 4.484 1.00 0.00 O ATOM 83 CB THR A 6 -0.001 8.259 7.013 1.00 0.00 C ATOM 84 OG1 THR A 6 0.219 9.407 6.204 1.00 0.00 O ATOM 85 CG2 THR A 6 1.005 8.243 8.164 1.00 0.00 C ATOM 0 H THR A 6 0.613 7.840 4.250 1.00 0.00 H new ATOM 0 HA THR A 6 0.621 6.212 6.763 1.00 0.00 H new ATOM 0 HB THR A 6 -1.011 8.287 7.421 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.109 10.216 6.747 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.881 9.141 8.768 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.835 7.362 8.784 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.018 8.214 7.762 1.00 0.00 H new ATOM 93 N PHE A 7 -2.158 6.426 6.536 1.00 0.00 N ATOM 94 CA PHE A 7 -3.512 5.983 6.105 1.00 0.00 C ATOM 95 C PHE A 7 -4.265 7.166 5.495 1.00 0.00 C ATOM 96 O PHE A 7 -4.665 7.135 4.349 1.00 0.00 O ATOM 97 CB PHE A 7 -4.284 5.453 7.315 1.00 0.00 C ATOM 98 CG PHE A 7 -3.670 4.152 7.769 1.00 0.00 C ATOM 99 CD1 PHE A 7 -3.586 3.071 6.884 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.183 4.028 9.074 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.015 1.866 7.305 1.00 0.00 C ATOM 102 CE2 PHE A 7 -2.612 2.822 9.496 1.00 0.00 C ATOM 103 CZ PHE A 7 -2.528 1.741 8.611 1.00 0.00 C ATOM 0 H PHE A 7 -2.061 6.621 7.532 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.417 5.192 5.361 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.258 6.182 8.125 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.332 5.302 7.055 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.962 3.167 5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.248 4.863 9.756 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.950 1.032 6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.236 2.726 10.504 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.087 0.810 8.936 1.00 0.00 H new ATOM 113 N ASP A 8 -4.463 8.211 6.251 1.00 0.00 N ATOM 114 CA ASP A 8 -5.190 9.394 5.711 1.00 0.00 C ATOM 115 C ASP A 8 -4.312 10.106 4.678 1.00 0.00 C ATOM 116 O ASP A 8 -4.801 10.734 3.760 1.00 0.00 O ATOM 117 CB ASP A 8 -5.516 10.358 6.853 1.00 0.00 C ATOM 118 CG ASP A 8 -7.026 10.373 7.093 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.550 9.355 7.513 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.635 11.403 6.850 1.00 0.00 O ATOM 0 H ASP A 8 -4.153 8.297 7.219 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.115 9.066 5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.996 10.052 7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.166 11.361 6.608 1.00 0.00 H new ATOM 125 N GLY A 9 -3.017 10.015 4.822 1.00 0.00 N ATOM 126 CA GLY A 9 -2.109 10.690 3.853 1.00 0.00 C ATOM 127 C GLY A 9 -2.209 10.004 2.491 1.00 0.00 C ATOM 128 O GLY A 9 -2.414 10.642 1.478 1.00 0.00 O ATOM 0 H GLY A 9 -2.550 9.502 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.377 11.743 3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.082 10.653 4.215 1.00 0.00 H new ATOM 132 N VAL A 10 -2.067 8.708 2.457 1.00 0.00 N ATOM 133 CA VAL A 10 -2.156 7.987 1.156 1.00 0.00 C ATOM 134 C VAL A 10 -3.585 8.085 0.625 1.00 0.00 C ATOM 135 O VAL A 10 -3.810 8.441 -0.514 1.00 0.00 O ATOM 136 CB VAL A 10 -1.781 6.517 1.356 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.744 5.810 0.000 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.401 6.431 2.012 1.00 0.00 C ATOM 0 H VAL A 10 -1.894 8.118 3.271 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.468 8.437 0.440 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.521 6.036 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.477 4.763 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.725 5.873 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.003 6.289 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.131 5.385 2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.338 6.911 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.425 6.936 2.978 1.00 0.00 H new ATOM 148 N ALA A 11 -4.555 7.787 1.444 1.00 0.00 N ATOM 149 CA ALA A 11 -5.967 7.882 0.983 1.00 0.00 C ATOM 150 C ALA A 11 -6.197 9.282 0.421 1.00 0.00 C ATOM 151 O ALA A 11 -6.896 9.468 -0.555 1.00 0.00 O ATOM 152 CB ALA A 11 -6.909 7.639 2.164 1.00 0.00 C ATOM 0 H ALA A 11 -4.431 7.483 2.410 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.163 7.134 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.943 7.709 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.728 6.646 2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.728 8.389 2.934 1.00 0.00 H new ATOM 158 N ASP A 12 -5.597 10.269 1.028 1.00 0.00 N ATOM 159 CA ASP A 12 -5.760 11.661 0.531 1.00 0.00 C ATOM 160 C ASP A 12 -5.173 11.753 -0.877 1.00 0.00 C ATOM 161 O ASP A 12 -5.839 12.146 -1.815 1.00 0.00 O ATOM 162 CB ASP A 12 -5.012 12.622 1.455 1.00 0.00 C ATOM 163 CG ASP A 12 -6.016 13.390 2.316 1.00 0.00 C ATOM 164 OD1 ASP A 12 -6.516 14.400 1.850 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.267 12.954 3.428 1.00 0.00 O ATOM 0 H ASP A 12 -5.000 10.169 1.849 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.817 11.927 0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.321 12.068 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.415 13.318 0.866 1.00 0.00 H new ATOM 170 N TYR A 13 -3.931 11.387 -1.031 1.00 0.00 N ATOM 171 CA TYR A 13 -3.300 11.445 -2.377 1.00 0.00 C ATOM 172 C TYR A 13 -4.081 10.543 -3.333 1.00 0.00 C ATOM 173 O TYR A 13 -3.984 10.663 -4.539 1.00 0.00 O ATOM 174 CB TYR A 13 -1.853 10.958 -2.283 1.00 0.00 C ATOM 175 CG TYR A 13 -1.089 11.410 -3.505 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.118 10.638 -4.672 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.351 12.599 -3.469 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.408 11.056 -5.805 1.00 0.00 C ATOM 179 CE2 TYR A 13 0.358 13.018 -4.601 1.00 0.00 C ATOM 180 CZ TYR A 13 0.329 12.246 -5.769 1.00 0.00 C ATOM 181 OH TYR A 13 1.028 12.658 -6.886 1.00 0.00 O ATOM 0 H TYR A 13 -3.326 11.050 -0.282 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.312 12.471 -2.746 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.384 11.351 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.828 9.871 -2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.687 9.721 -4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.329 13.193 -2.568 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.429 10.461 -6.706 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.927 13.936 -4.574 1.00 0.00 H new ATOM 0 HH TYR A 13 0.512 13.343 -7.360 1.00 0.00 H new ATOM 191 N LEU A 14 -4.860 9.640 -2.801 1.00 0.00 N ATOM 192 CA LEU A 14 -5.652 8.728 -3.671 1.00 0.00 C ATOM 193 C LEU A 14 -6.849 9.489 -4.244 1.00 0.00 C ATOM 194 O LEU A 14 -6.955 9.683 -5.434 1.00 0.00 O ATOM 195 CB LEU A 14 -6.141 7.537 -2.843 1.00 0.00 C ATOM 196 CG LEU A 14 -5.100 6.416 -2.898 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.000 5.744 -1.527 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.522 5.377 -3.938 1.00 0.00 C ATOM 0 H LEU A 14 -4.981 9.495 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.030 8.366 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.308 7.842 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.096 7.180 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.132 6.836 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.259 4.946 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.701 6.481 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.969 5.326 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.780 4.579 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.490 4.959 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.596 5.851 -4.917 1.00 0.00 H new ATOM 210 N GLN A 15 -7.750 9.929 -3.411 1.00 0.00 N ATOM 211 CA GLN A 15 -8.927 10.684 -3.928 1.00 0.00 C ATOM 212 C GLN A 15 -8.470 12.060 -4.423 1.00 0.00 C ATOM 213 O GLN A 15 -9.225 12.797 -5.023 1.00 0.00 O ATOM 214 CB GLN A 15 -9.956 10.856 -2.807 1.00 0.00 C ATOM 215 CG GLN A 15 -9.464 11.912 -1.816 1.00 0.00 C ATOM 216 CD GLN A 15 -10.546 12.172 -0.766 1.00 0.00 C ATOM 217 OE1 GLN A 15 -10.669 13.270 -0.263 1.00 0.00 O ATOM 218 NE2 GLN A 15 -11.341 11.198 -0.412 1.00 0.00 N ATOM 0 H GLN A 15 -7.724 9.800 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.381 10.134 -4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.917 11.155 -3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.112 9.907 -2.295 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.548 11.573 -1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.224 12.836 -2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.237 10.276 -0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.066 11.360 0.287 1.00 0.00 H new ATOM 227 N THR A 16 -7.237 12.412 -4.170 1.00 0.00 N ATOM 228 CA THR A 16 -6.731 13.740 -4.620 1.00 0.00 C ATOM 229 C THR A 16 -6.093 13.609 -5.998 1.00 0.00 C ATOM 230 O THR A 16 -6.570 14.153 -6.974 1.00 0.00 O ATOM 231 CB THR A 16 -5.688 14.252 -3.623 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.325 14.559 -2.391 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.020 15.509 -4.182 1.00 0.00 C ATOM 0 H THR A 16 -6.559 11.836 -3.671 1.00 0.00 H new ATOM 0 HA THR A 16 -7.563 14.443 -4.674 1.00 0.00 H new ATOM 0 HB THR A 16 -4.932 13.484 -3.460 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.155 13.840 -1.747 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.278 15.873 -3.472 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.532 15.272 -5.127 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.774 16.279 -4.346 1.00 0.00 H new ATOM 241 N TYR A 17 -5.019 12.892 -6.076 1.00 0.00 N ATOM 242 CA TYR A 17 -4.329 12.711 -7.386 1.00 0.00 C ATOM 243 C TYR A 17 -4.902 11.485 -8.100 1.00 0.00 C ATOM 244 O TYR A 17 -4.451 11.106 -9.162 1.00 0.00 O ATOM 245 CB TYR A 17 -2.831 12.506 -7.149 1.00 0.00 C ATOM 246 CG TYR A 17 -2.238 13.756 -6.546 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.243 13.932 -5.156 1.00 0.00 C ATOM 248 CD2 TYR A 17 -1.683 14.738 -7.373 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.692 15.090 -4.596 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.132 15.896 -6.813 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.136 16.073 -5.425 1.00 0.00 C ATOM 252 OH TYR A 17 -0.593 17.214 -4.872 1.00 0.00 O ATOM 0 H TYR A 17 -4.580 12.417 -5.287 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.483 13.597 -8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.671 11.658 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.332 12.272 -8.090 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.672 13.174 -4.517 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.680 14.602 -8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.695 15.226 -3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.703 16.654 -7.452 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.250 17.792 -5.585 1.00 0.00 H new ATOM 262 N HIS A 18 -5.893 10.863 -7.524 1.00 0.00 N ATOM 263 CA HIS A 18 -6.497 9.664 -8.165 1.00 0.00 C ATOM 264 C HIS A 18 -5.388 8.740 -8.667 1.00 0.00 C ATOM 265 O HIS A 18 -5.433 8.233 -9.770 1.00 0.00 O ATOM 266 CB HIS A 18 -7.387 10.107 -9.325 1.00 0.00 C ATOM 267 CG HIS A 18 -8.615 10.770 -8.764 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.821 10.799 -9.446 1.00 0.00 N ATOM 269 CD2 HIS A 18 -8.840 11.420 -7.574 1.00 0.00 C ATOM 270 CE1 HIS A 18 -10.709 11.447 -8.667 1.00 0.00 C ATOM 271 NE2 HIS A 18 -10.162 11.847 -7.517 1.00 0.00 N ATOM 0 H HIS A 18 -6.311 11.135 -6.634 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.103 9.121 -7.440 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.847 10.798 -9.973 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.667 9.249 -9.936 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.102 11.575 -6.801 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.739 11.622 -8.940 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.616 12.357 -6.759 1.00 0.00 H new ATOM 279 N LYS A 19 -4.395 8.515 -7.849 1.00 0.00 N ATOM 280 CA LYS A 19 -3.271 7.623 -8.248 1.00 0.00 C ATOM 281 C LYS A 19 -2.200 7.659 -7.158 1.00 0.00 C ATOM 282 O LYS A 19 -1.765 8.714 -6.742 1.00 0.00 O ATOM 283 CB LYS A 19 -2.665 8.104 -9.567 1.00 0.00 C ATOM 284 CG LYS A 19 -2.105 9.516 -9.386 1.00 0.00 C ATOM 285 CD LYS A 19 -2.165 10.266 -10.720 1.00 0.00 C ATOM 286 CE LYS A 19 -0.799 10.886 -11.020 1.00 0.00 C ATOM 287 NZ LYS A 19 -0.986 12.250 -11.589 1.00 0.00 N ATOM 0 H LYS A 19 -4.315 8.915 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.642 6.606 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.873 7.425 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.423 8.099 -10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.679 10.052 -8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.076 9.467 -9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.450 9.583 -11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.928 11.044 -10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.204 10.939 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.250 10.259 -11.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.057 12.671 -11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.538 12.187 -12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.493 12.845 -10.904 1.00 0.00 H new ATOM 301 N LEU A 20 -1.767 6.520 -6.693 1.00 0.00 N ATOM 302 CA LEU A 20 -0.721 6.507 -5.632 1.00 0.00 C ATOM 303 C LEU A 20 0.378 7.503 -6.012 1.00 0.00 C ATOM 304 O LEU A 20 0.613 7.742 -7.180 1.00 0.00 O ATOM 305 CB LEU A 20 -0.119 5.103 -5.519 1.00 0.00 C ATOM 306 CG LEU A 20 -1.105 4.173 -4.810 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.412 2.847 -4.492 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.576 4.825 -3.507 1.00 0.00 C ATOM 0 H LEU A 20 -2.090 5.602 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.162 6.785 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.112 4.715 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.819 5.143 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.963 3.992 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.113 2.182 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.074 2.382 -5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.445 3.031 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.279 4.162 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.718 5.006 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.067 5.772 -3.731 1.00 0.00 H new ATOM 320 N PRO A 21 1.020 8.056 -5.017 1.00 0.00 N ATOM 321 CA PRO A 21 2.100 9.033 -5.230 1.00 0.00 C ATOM 322 C PRO A 21 3.153 8.466 -6.181 1.00 0.00 C ATOM 323 O PRO A 21 3.257 7.270 -6.370 1.00 0.00 O ATOM 324 CB PRO A 21 2.696 9.262 -3.836 1.00 0.00 C ATOM 325 CG PRO A 21 1.748 8.590 -2.811 1.00 0.00 C ATOM 326 CD PRO A 21 0.729 7.752 -3.603 1.00 0.00 C ATOM 0 HA PRO A 21 1.741 9.958 -5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.697 8.834 -3.771 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.791 10.328 -3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.312 7.959 -2.124 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.240 9.343 -2.208 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.842 6.688 -3.394 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.295 8.021 -3.342 1.00 0.00 H new ATOM 334 N ASP A 22 3.942 9.318 -6.777 1.00 0.00 N ATOM 335 CA ASP A 22 4.993 8.829 -7.708 1.00 0.00 C ATOM 336 C ASP A 22 6.075 8.102 -6.908 1.00 0.00 C ATOM 337 O ASP A 22 6.987 7.522 -7.464 1.00 0.00 O ATOM 338 CB ASP A 22 5.611 10.014 -8.451 1.00 0.00 C ATOM 339 CG ASP A 22 4.623 10.536 -9.496 1.00 0.00 C ATOM 340 OD1 ASP A 22 3.475 10.126 -9.453 1.00 0.00 O ATOM 341 OD2 ASP A 22 5.031 11.337 -10.321 1.00 0.00 O ATOM 0 H ASP A 22 3.903 10.330 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 22 4.552 8.144 -8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.863 10.807 -7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.540 9.709 -8.934 1.00 0.00 H new ATOM 346 N ASN A 23 5.981 8.129 -5.606 1.00 0.00 N ATOM 347 CA ASN A 23 7.006 7.438 -4.774 1.00 0.00 C ATOM 348 C ASN A 23 6.532 6.020 -4.447 1.00 0.00 C ATOM 349 O ASN A 23 7.187 5.291 -3.729 1.00 0.00 O ATOM 350 CB ASN A 23 7.215 8.217 -3.475 1.00 0.00 C ATOM 351 CG ASN A 23 5.858 8.646 -2.913 1.00 0.00 C ATOM 352 OD1 ASN A 23 5.453 9.781 -3.069 1.00 0.00 O ATOM 353 ND2 ASN A 23 5.131 7.779 -2.261 1.00 0.00 N ATOM 0 H ASN A 23 5.241 8.598 -5.084 1.00 0.00 H new ATOM 0 HA ASN A 23 7.945 7.387 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.742 7.599 -2.749 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.837 9.093 -3.660 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.224 8.055 -1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.470 6.826 -2.129 1.00 0.00 H new ATOM 360 N TYR A 24 5.399 5.621 -4.960 1.00 0.00 N ATOM 361 CA TYR A 24 4.898 4.250 -4.665 1.00 0.00 C ATOM 362 C TYR A 24 5.343 3.285 -5.763 1.00 0.00 C ATOM 363 O TYR A 24 4.677 3.116 -6.765 1.00 0.00 O ATOM 364 CB TYR A 24 3.371 4.258 -4.585 1.00 0.00 C ATOM 365 CG TYR A 24 2.955 4.267 -3.134 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.869 3.065 -2.423 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.666 5.479 -2.500 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.493 3.076 -1.075 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.290 5.491 -1.151 1.00 0.00 C ATOM 370 CZ TYR A 24 2.204 4.289 -0.438 1.00 0.00 C ATOM 371 OH TYR A 24 1.834 4.299 0.890 1.00 0.00 O ATOM 0 H TYR A 24 4.802 6.183 -5.567 1.00 0.00 H new ATOM 0 HA TYR A 24 5.308 3.924 -3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.972 5.134 -5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.963 3.381 -5.088 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.093 2.129 -2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.733 6.406 -3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.426 2.148 -0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.066 6.427 -0.661 1.00 0.00 H new ATOM 0 HH TYR A 24 1.455 3.428 1.131 1.00 0.00 H new ATOM 381 N ILE A 25 6.460 2.639 -5.576 1.00 0.00 N ATOM 382 CA ILE A 25 6.942 1.674 -6.600 1.00 0.00 C ATOM 383 C ILE A 25 6.612 0.254 -6.138 1.00 0.00 C ATOM 384 O ILE A 25 6.968 -0.151 -5.049 1.00 0.00 O ATOM 385 CB ILE A 25 8.455 1.818 -6.774 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.137 1.731 -5.407 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.770 3.172 -7.415 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.402 0.877 -5.522 1.00 0.00 C ATOM 0 H ILE A 25 7.060 2.739 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 25 6.454 1.876 -7.553 1.00 0.00 H new ATOM 0 HB ILE A 25 8.823 1.018 -7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.390 2.729 -5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.456 1.295 -4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.848 3.274 -7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.285 3.235 -8.389 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.401 3.973 -6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.889 0.814 -4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.135 -0.125 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.084 1.332 -6.240 1.00 0.00 H new ATOM 400 N THR A 26 5.927 -0.502 -6.950 1.00 0.00 N ATOM 401 CA THR A 26 5.571 -1.892 -6.551 1.00 0.00 C ATOM 402 C THR A 26 6.800 -2.585 -5.959 1.00 0.00 C ATOM 403 O THR A 26 7.894 -2.060 -5.992 1.00 0.00 O ATOM 404 CB THR A 26 5.093 -2.666 -7.778 1.00 0.00 C ATOM 405 OG1 THR A 26 6.214 -3.034 -8.570 1.00 0.00 O ATOM 406 CG2 THR A 26 4.147 -1.791 -8.602 1.00 0.00 C ATOM 0 H THR A 26 5.598 -0.217 -7.873 1.00 0.00 H new ATOM 0 HA THR A 26 4.776 -1.863 -5.805 1.00 0.00 H new ATOM 0 HB THR A 26 4.564 -3.563 -7.458 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.909 -3.532 -9.357 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.808 -2.346 -9.477 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.287 -1.512 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.671 -0.891 -8.924 1.00 0.00 H new ATOM 414 N LYS A 27 6.632 -3.763 -5.424 1.00 0.00 N ATOM 415 CA LYS A 27 7.812 -4.474 -4.840 1.00 0.00 C ATOM 416 C LYS A 27 8.736 -4.914 -5.972 1.00 0.00 C ATOM 417 O LYS A 27 9.938 -4.774 -5.888 1.00 0.00 O ATOM 418 CB LYS A 27 7.394 -5.711 -4.025 1.00 0.00 C ATOM 419 CG LYS A 27 5.871 -5.819 -3.919 1.00 0.00 C ATOM 420 CD LYS A 27 5.504 -7.023 -3.048 1.00 0.00 C ATOM 421 CE LYS A 27 4.487 -7.895 -3.785 1.00 0.00 C ATOM 422 NZ LYS A 27 3.111 -7.542 -3.336 1.00 0.00 N ATOM 0 H LYS A 27 5.744 -4.261 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 27 8.320 -3.784 -4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.793 -6.610 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.827 -5.654 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.460 -4.906 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.434 -5.928 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.397 -7.604 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.089 -6.685 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.579 -7.748 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.686 -8.949 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.419 -8.135 -3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.028 -7.704 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.924 -6.540 -3.545 1.00 0.00 H new ATOM 436 N SER A 28 8.189 -5.434 -7.036 1.00 0.00 N ATOM 437 CA SER A 28 9.051 -5.866 -8.170 1.00 0.00 C ATOM 438 C SER A 28 9.939 -4.690 -8.570 1.00 0.00 C ATOM 439 O SER A 28 11.108 -4.846 -8.875 1.00 0.00 O ATOM 440 CB SER A 28 8.176 -6.274 -9.355 1.00 0.00 C ATOM 441 OG SER A 28 8.080 -7.692 -9.403 1.00 0.00 O ATOM 0 H SER A 28 7.188 -5.578 -7.168 1.00 0.00 H new ATOM 0 HA SER A 28 9.663 -6.718 -7.874 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.184 -5.834 -9.257 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.602 -5.895 -10.284 1.00 0.00 H new ATOM 0 HG SER A 28 7.518 -7.956 -10.161 1.00 0.00 H new ATOM 447 N GLU A 29 9.390 -3.509 -8.552 1.00 0.00 N ATOM 448 CA GLU A 29 10.190 -2.311 -8.913 1.00 0.00 C ATOM 449 C GLU A 29 11.371 -2.204 -7.951 1.00 0.00 C ATOM 450 O GLU A 29 12.480 -1.911 -8.347 1.00 0.00 O ATOM 451 CB GLU A 29 9.317 -1.059 -8.801 1.00 0.00 C ATOM 452 CG GLU A 29 8.820 -0.658 -10.191 1.00 0.00 C ATOM 453 CD GLU A 29 8.252 0.762 -10.141 1.00 0.00 C ATOM 454 OE1 GLU A 29 9.040 1.693 -10.095 1.00 0.00 O ATOM 455 OE2 GLU A 29 7.040 0.895 -10.148 1.00 0.00 O ATOM 0 H GLU A 29 8.419 -3.323 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 29 10.553 -2.399 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.470 -1.251 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.888 -0.243 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.638 -0.709 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.054 -1.356 -10.530 1.00 0.00 H new ATOM 462 N ALA A 30 11.149 -2.456 -6.688 1.00 0.00 N ATOM 463 CA ALA A 30 12.273 -2.380 -5.717 1.00 0.00 C ATOM 464 C ALA A 30 13.286 -3.471 -6.057 1.00 0.00 C ATOM 465 O ALA A 30 14.481 -3.284 -5.936 1.00 0.00 O ATOM 466 CB ALA A 30 11.744 -2.589 -4.296 1.00 0.00 C ATOM 0 H ALA A 30 10.244 -2.709 -6.291 1.00 0.00 H new ATOM 0 HA ALA A 30 12.748 -1.401 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.571 -2.533 -3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.013 -1.815 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.271 -3.568 -4.224 1.00 0.00 H new ATOM 472 N GLN A 31 12.819 -4.609 -6.495 1.00 0.00 N ATOM 473 CA GLN A 31 13.754 -5.706 -6.858 1.00 0.00 C ATOM 474 C GLN A 31 14.620 -5.237 -8.025 1.00 0.00 C ATOM 475 O GLN A 31 15.789 -5.557 -8.115 1.00 0.00 O ATOM 476 CB GLN A 31 12.959 -6.945 -7.273 1.00 0.00 C ATOM 477 CG GLN A 31 12.730 -7.840 -6.053 1.00 0.00 C ATOM 478 CD GLN A 31 11.865 -9.037 -6.454 1.00 0.00 C ATOM 479 OE1 GLN A 31 10.986 -9.440 -5.718 1.00 0.00 O ATOM 480 NE2 GLN A 31 12.079 -9.626 -7.598 1.00 0.00 N ATOM 0 H GLN A 31 11.829 -4.824 -6.616 1.00 0.00 H new ATOM 0 HA GLN A 31 14.382 -5.960 -6.004 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.003 -6.648 -7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.499 -7.495 -8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.685 -8.184 -5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.241 -7.274 -5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.817 -9.288 -8.216 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.508 -10.425 -7.875 1.00 0.00 H new ATOM 489 N ALA A 32 14.051 -4.477 -8.921 1.00 0.00 N ATOM 490 CA ALA A 32 14.835 -3.981 -10.080 1.00 0.00 C ATOM 491 C ALA A 32 16.007 -3.140 -9.581 1.00 0.00 C ATOM 492 O ALA A 32 17.090 -3.165 -10.132 1.00 0.00 O ATOM 493 CB ALA A 32 13.938 -3.128 -10.980 1.00 0.00 C ATOM 0 H ALA A 32 13.076 -4.180 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 32 15.215 -4.829 -10.649 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.516 -2.765 -11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.104 -3.731 -11.339 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.555 -2.280 -10.413 1.00 0.00 H new ATOM 499 N LEU A 33 15.786 -2.393 -8.546 1.00 0.00 N ATOM 500 CA LEU A 33 16.865 -1.531 -7.989 1.00 0.00 C ATOM 501 C LEU A 33 17.793 -2.355 -7.096 1.00 0.00 C ATOM 502 O LEU A 33 18.853 -1.909 -6.703 1.00 0.00 O ATOM 503 CB LEU A 33 16.229 -0.407 -7.184 1.00 0.00 C ATOM 504 CG LEU A 33 15.546 0.550 -8.154 1.00 0.00 C ATOM 505 CD1 LEU A 33 14.036 0.309 -8.132 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.855 1.987 -7.744 1.00 0.00 C ATOM 0 H LEU A 33 14.895 -2.339 -8.053 1.00 0.00 H new ATOM 0 HA LEU A 33 17.456 -1.113 -8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.505 -0.810 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.986 0.119 -6.602 1.00 0.00 H new ATOM 0 HG LEU A 33 15.916 0.378 -9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.548 0.994 -8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.827 -0.719 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.655 0.480 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.368 2.675 -8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.485 2.165 -6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.933 2.149 -7.769 1.00 0.00 H new ATOM 518 N GLY A 34 17.403 -3.555 -6.777 1.00 0.00 N ATOM 519 CA GLY A 34 18.262 -4.414 -5.912 1.00 0.00 C ATOM 520 C GLY A 34 17.639 -4.533 -4.519 1.00 0.00 C ATOM 521 O GLY A 34 18.257 -4.216 -3.523 1.00 0.00 O ATOM 0 H GLY A 34 16.526 -3.981 -7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.370 -5.403 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.262 -3.987 -5.838 1.00 0.00 H new ATOM 525 N TRP A 35 16.419 -4.992 -4.442 1.00 0.00 N ATOM 526 CA TRP A 35 15.758 -5.136 -3.112 1.00 0.00 C ATOM 527 C TRP A 35 15.211 -6.560 -2.978 1.00 0.00 C ATOM 528 O TRP A 35 14.321 -6.965 -3.700 1.00 0.00 O ATOM 529 CB TRP A 35 14.615 -4.113 -3.001 1.00 0.00 C ATOM 530 CG TRP A 35 13.590 -4.573 -2.007 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.685 -4.429 -0.665 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.321 -5.245 -2.258 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.554 -4.968 -0.077 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.684 -5.483 -1.018 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.668 -5.666 -3.429 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.441 -6.117 -0.944 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.419 -6.303 -3.359 1.00 0.00 C ATOM 538 CH2 TRP A 35 9.807 -6.528 -2.119 1.00 0.00 C ATOM 0 H TRP A 35 15.852 -5.273 -5.241 1.00 0.00 H new ATOM 0 HA TRP A 35 16.476 -4.952 -2.313 1.00 0.00 H new ATOM 0 HB2 TRP A 35 15.014 -3.145 -2.698 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.148 -3.974 -3.976 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.508 -3.969 -0.139 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.384 -4.983 0.929 1.00 0.00 H new ATOM 0 HE3 TRP A 35 12.131 -5.498 -4.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 9.974 -6.288 0.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.927 -6.621 -4.266 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.846 -7.019 -2.072 1.00 0.00 H new ATOM 549 N VAL A 36 15.731 -7.319 -2.054 1.00 0.00 N ATOM 550 CA VAL A 36 15.233 -8.711 -1.871 1.00 0.00 C ATOM 551 C VAL A 36 14.086 -8.700 -0.863 1.00 0.00 C ATOM 552 O VAL A 36 14.277 -8.436 0.307 1.00 0.00 O ATOM 553 CB VAL A 36 16.364 -9.598 -1.349 1.00 0.00 C ATOM 554 CG1 VAL A 36 15.934 -11.065 -1.420 1.00 0.00 C ATOM 555 CG2 VAL A 36 17.612 -9.392 -2.210 1.00 0.00 C ATOM 0 H VAL A 36 16.478 -7.037 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 36 14.882 -9.104 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 36 16.587 -9.333 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.739 -11.699 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.044 -11.213 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.712 -11.329 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.419 -10.024 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.389 -9.658 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 36 17.918 -8.347 -2.162 1.00 0.00 H new ATOM 565 N ALA A 37 12.892 -8.980 -1.306 1.00 0.00 N ATOM 566 CA ALA A 37 11.735 -8.979 -0.369 1.00 0.00 C ATOM 567 C ALA A 37 12.060 -9.857 0.842 1.00 0.00 C ATOM 568 O ALA A 37 11.464 -9.728 1.892 1.00 0.00 O ATOM 569 CB ALA A 37 10.500 -9.529 -1.084 1.00 0.00 C ATOM 0 H ALA A 37 12.668 -9.209 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 37 11.537 -7.960 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.652 -9.529 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.270 -8.903 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.696 -10.548 -1.418 1.00 0.00 H new ATOM 575 N SER A 38 13.003 -10.750 0.702 1.00 0.00 N ATOM 576 CA SER A 38 13.367 -11.636 1.843 1.00 0.00 C ATOM 577 C SER A 38 14.361 -10.915 2.759 1.00 0.00 C ATOM 578 O SER A 38 14.182 -10.857 3.959 1.00 0.00 O ATOM 579 CB SER A 38 14.005 -12.918 1.308 1.00 0.00 C ATOM 580 OG SER A 38 13.785 -13.001 -0.094 1.00 0.00 O ATOM 0 H SER A 38 13.536 -10.903 -0.154 1.00 0.00 H new ATOM 0 HA SER A 38 12.469 -11.884 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 38 15.074 -12.923 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.577 -13.787 1.807 1.00 0.00 H new ATOM 0 HG SER A 38 14.194 -13.821 -0.441 1.00 0.00 H new ATOM 586 N LYS A 39 15.407 -10.365 2.203 1.00 0.00 N ATOM 587 CA LYS A 39 16.408 -9.650 3.047 1.00 0.00 C ATOM 588 C LYS A 39 15.775 -8.388 3.636 1.00 0.00 C ATOM 589 O LYS A 39 16.311 -7.777 4.539 1.00 0.00 O ATOM 590 CB LYS A 39 17.616 -9.261 2.189 1.00 0.00 C ATOM 591 CG LYS A 39 18.369 -10.522 1.762 1.00 0.00 C ATOM 592 CD LYS A 39 19.845 -10.185 1.539 1.00 0.00 C ATOM 593 CE LYS A 39 20.677 -11.467 1.606 1.00 0.00 C ATOM 594 NZ LYS A 39 21.251 -11.757 0.261 1.00 0.00 N ATOM 0 H LYS A 39 15.611 -10.380 1.204 1.00 0.00 H new ATOM 0 HA LYS A 39 16.732 -10.305 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.287 -8.706 1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 39 18.278 -8.603 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.273 -11.292 2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.935 -10.925 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.977 -9.704 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.186 -9.478 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 39 21.477 -11.357 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.056 -12.300 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.817 -12.628 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.480 -11.879 -0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.857 -10.966 -0.036 1.00 0.00 H new ATOM 608 N GLY A 40 14.638 -7.993 3.134 1.00 0.00 N ATOM 609 CA GLY A 40 13.970 -6.772 3.666 1.00 0.00 C ATOM 610 C GLY A 40 15.001 -5.657 3.851 1.00 0.00 C ATOM 611 O GLY A 40 15.649 -5.561 4.874 1.00 0.00 O ATOM 0 H GLY A 40 14.142 -8.464 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.188 -6.446 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.488 -6.995 4.618 1.00 0.00 H new ATOM 615 N ASN A 41 15.155 -4.810 2.870 1.00 0.00 N ATOM 616 CA ASN A 41 16.140 -3.698 2.994 1.00 0.00 C ATOM 617 C ASN A 41 15.792 -2.594 1.990 1.00 0.00 C ATOM 618 O ASN A 41 16.651 -2.064 1.317 1.00 0.00 O ATOM 619 CB ASN A 41 17.556 -4.226 2.721 1.00 0.00 C ATOM 620 CG ASN A 41 17.783 -4.374 1.213 1.00 0.00 C ATOM 621 OD1 ASN A 41 18.808 -3.972 0.699 1.00 0.00 O ATOM 622 ND2 ASN A 41 16.863 -4.936 0.479 1.00 0.00 N ATOM 0 H ASN A 41 14.642 -4.840 1.989 1.00 0.00 H new ATOM 0 HA ASN A 41 16.102 -3.291 4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.294 -3.543 3.142 1.00 0.00 H new ATOM 0 HB3 ASN A 41 17.694 -5.189 3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.004 -5.038 -0.526 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.002 -5.274 0.910 1.00 0.00 H new ATOM 629 N LEU A 42 14.539 -2.249 1.884 1.00 0.00 N ATOM 630 CA LEU A 42 14.138 -1.182 0.922 1.00 0.00 C ATOM 631 C LEU A 42 14.859 0.117 1.274 1.00 0.00 C ATOM 632 O LEU A 42 15.500 0.730 0.446 1.00 0.00 O ATOM 633 CB LEU A 42 12.627 -0.957 1.013 1.00 0.00 C ATOM 634 CG LEU A 42 12.087 -0.509 -0.347 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.504 -1.509 -1.428 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.560 -0.440 -0.287 1.00 0.00 C ATOM 0 H LEU A 42 13.775 -2.659 2.421 1.00 0.00 H new ATOM 0 HA LEU A 42 14.404 -1.488 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.131 -1.876 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.407 -0.203 1.768 1.00 0.00 H new ATOM 0 HG LEU A 42 12.493 0.473 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.116 -1.184 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.592 -1.563 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.101 -2.493 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.172 -0.121 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.161 -1.424 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.258 0.275 0.479 1.00 0.00 H new ATOM 648 N ALA A 43 14.756 0.542 2.499 1.00 0.00 N ATOM 649 CA ALA A 43 15.434 1.805 2.910 1.00 0.00 C ATOM 650 C ALA A 43 16.936 1.709 2.618 1.00 0.00 C ATOM 651 O ALA A 43 17.641 2.700 2.627 1.00 0.00 O ATOM 652 CB ALA A 43 15.221 2.031 4.407 1.00 0.00 C ATOM 0 H ALA A 43 14.232 0.071 3.236 1.00 0.00 H new ATOM 0 HA ALA A 43 15.012 2.639 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.716 2.954 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.154 2.106 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.641 1.194 4.965 1.00 0.00 H new ATOM 658 N ASP A 44 17.436 0.529 2.370 1.00 0.00 N ATOM 659 CA ASP A 44 18.894 0.381 2.090 1.00 0.00 C ATOM 660 C ASP A 44 19.168 0.546 0.590 1.00 0.00 C ATOM 661 O ASP A 44 19.996 1.339 0.188 1.00 0.00 O ATOM 662 CB ASP A 44 19.360 -1.006 2.540 1.00 0.00 C ATOM 663 CG ASP A 44 20.016 -0.900 3.918 1.00 0.00 C ATOM 664 OD1 ASP A 44 19.525 -0.132 4.730 1.00 0.00 O ATOM 665 OD2 ASP A 44 21.001 -1.586 4.138 1.00 0.00 O ATOM 0 H ASP A 44 16.899 -0.338 2.349 1.00 0.00 H new ATOM 0 HA ASP A 44 19.438 1.151 2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.513 -1.691 2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 44 20.067 -1.416 1.819 1.00 0.00 H new ATOM 670 N VAL A 45 18.496 -0.205 -0.238 1.00 0.00 N ATOM 671 CA VAL A 45 18.738 -0.095 -1.706 1.00 0.00 C ATOM 672 C VAL A 45 17.808 0.958 -2.317 1.00 0.00 C ATOM 673 O VAL A 45 18.238 1.815 -3.065 1.00 0.00 O ATOM 674 CB VAL A 45 18.480 -1.452 -2.365 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.365 -2.511 -1.705 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.009 -1.839 -2.185 1.00 0.00 C ATOM 0 H VAL A 45 17.791 -0.889 0.037 1.00 0.00 H new ATOM 0 HA VAL A 45 19.772 0.206 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 45 18.712 -1.389 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.184 -3.479 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.413 -2.238 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.130 -2.571 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.827 -2.806 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.777 -1.903 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.375 -1.084 -2.650 1.00 0.00 H new ATOM 686 N ALA A 46 16.542 0.906 -2.009 1.00 0.00 N ATOM 687 CA ALA A 46 15.596 1.908 -2.577 1.00 0.00 C ATOM 688 C ALA A 46 14.992 2.743 -1.443 1.00 0.00 C ATOM 689 O ALA A 46 13.862 2.527 -1.052 1.00 0.00 O ATOM 690 CB ALA A 46 14.478 1.182 -3.329 1.00 0.00 C ATOM 0 H ALA A 46 16.121 0.214 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 46 16.130 2.564 -3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.785 1.913 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.908 0.589 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.944 0.526 -2.642 1.00 0.00 H new ATOM 696 N PRO A 47 15.768 3.676 -0.949 1.00 0.00 N ATOM 697 CA PRO A 47 15.332 4.563 0.145 1.00 0.00 C ATOM 698 C PRO A 47 14.109 5.378 -0.284 1.00 0.00 C ATOM 699 O PRO A 47 13.844 5.546 -1.458 1.00 0.00 O ATOM 700 CB PRO A 47 16.531 5.487 0.403 1.00 0.00 C ATOM 701 CG PRO A 47 17.653 5.093 -0.591 1.00 0.00 C ATOM 702 CD PRO A 47 17.137 3.921 -1.439 1.00 0.00 C ATOM 0 HA PRO A 47 15.042 4.007 1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.247 6.530 0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.878 5.385 1.431 1.00 0.00 H new ATOM 0 HG2 PRO A 47 17.915 5.939 -1.227 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.557 4.807 -0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.139 4.170 -2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.765 3.038 -1.317 1.00 0.00 H new ATOM 710 N GLY A 48 13.364 5.887 0.660 1.00 0.00 N ATOM 711 CA GLY A 48 12.160 6.692 0.311 1.00 0.00 C ATOM 712 C GLY A 48 11.398 6.014 -0.828 1.00 0.00 C ATOM 713 O GLY A 48 11.171 6.598 -1.868 1.00 0.00 O ATOM 0 H GLY A 48 13.538 5.779 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.514 6.794 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.457 7.698 0.014 1.00 0.00 H new ATOM 717 N LYS A 49 10.999 4.787 -0.640 1.00 0.00 N ATOM 718 CA LYS A 49 10.251 4.078 -1.717 1.00 0.00 C ATOM 719 C LYS A 49 9.086 3.297 -1.104 1.00 0.00 C ATOM 720 O LYS A 49 9.276 2.312 -0.421 1.00 0.00 O ATOM 721 CB LYS A 49 11.190 3.113 -2.443 1.00 0.00 C ATOM 722 CG LYS A 49 12.294 3.904 -3.149 1.00 0.00 C ATOM 723 CD LYS A 49 12.105 3.807 -4.664 1.00 0.00 C ATOM 724 CE LYS A 49 12.254 5.196 -5.290 1.00 0.00 C ATOM 725 NZ LYS A 49 12.261 5.073 -6.776 1.00 0.00 N ATOM 0 H LYS A 49 11.157 4.245 0.210 1.00 0.00 H new ATOM 0 HA LYS A 49 9.862 4.807 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.628 2.413 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.631 2.523 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.266 4.947 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.272 3.513 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.841 3.124 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.121 3.398 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.434 5.840 -4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.178 5.663 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.530 5.984 -7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.946 4.344 -7.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.312 4.805 -7.107 1.00 0.00 H new ATOM 739 N SER A 50 7.880 3.731 -1.351 1.00 0.00 N ATOM 740 CA SER A 50 6.699 3.017 -0.791 1.00 0.00 C ATOM 741 C SER A 50 6.247 1.940 -1.778 1.00 0.00 C ATOM 742 O SER A 50 6.140 2.177 -2.963 1.00 0.00 O ATOM 743 CB SER A 50 5.560 4.015 -0.569 1.00 0.00 C ATOM 744 OG SER A 50 6.062 5.155 0.115 1.00 0.00 O ATOM 0 H SER A 50 7.662 4.551 -1.918 1.00 0.00 H new ATOM 0 HA SER A 50 6.966 2.554 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.129 4.311 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.762 3.551 0.011 1.00 0.00 H new ATOM 0 HG SER A 50 5.336 5.797 0.257 1.00 0.00 H new ATOM 750 N ILE A 51 5.984 0.756 -1.302 1.00 0.00 N ATOM 751 CA ILE A 51 5.541 -0.330 -2.220 1.00 0.00 C ATOM 752 C ILE A 51 4.015 -0.325 -2.304 1.00 0.00 C ATOM 753 O ILE A 51 3.333 -0.637 -1.349 1.00 0.00 O ATOM 754 CB ILE A 51 6.019 -1.679 -1.682 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.488 -1.567 -1.266 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.878 -2.739 -2.774 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.365 -1.463 -2.515 1.00 0.00 C ATOM 0 H ILE A 51 6.056 0.493 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 51 5.963 -0.167 -3.212 1.00 0.00 H new ATOM 0 HB ILE A 51 5.417 -1.963 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.632 -0.691 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.778 -2.437 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.218 -3.702 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.833 -2.816 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.482 -2.456 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.411 -1.383 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.229 -2.352 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.081 -0.579 -3.086 1.00 0.00 H new ATOM 769 N GLY A 52 3.470 0.032 -3.436 1.00 0.00 N ATOM 770 CA GLY A 52 1.987 0.059 -3.565 1.00 0.00 C ATOM 771 C GLY A 52 1.591 -0.091 -5.033 1.00 0.00 C ATOM 772 O GLY A 52 2.416 -0.012 -5.921 1.00 0.00 O ATOM 0 H GLY A 52 3.986 0.305 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.547 -0.746 -2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.595 0.995 -3.167 1.00 0.00 H new ATOM 776 N GLY A 53 0.331 -0.303 -5.293 1.00 0.00 N ATOM 777 CA GLY A 53 -0.124 -0.452 -6.704 1.00 0.00 C ATOM 778 C GLY A 53 -0.173 -1.934 -7.080 1.00 0.00 C ATOM 779 O GLY A 53 -0.297 -2.285 -8.237 1.00 0.00 O ATOM 0 H GLY A 53 -0.404 -0.380 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.110 -0.004 -6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.554 0.080 -7.372 1.00 0.00 H new ATOM 783 N ASP A 54 -0.081 -2.808 -6.116 1.00 0.00 N ATOM 784 CA ASP A 54 -0.126 -4.266 -6.426 1.00 0.00 C ATOM 785 C ASP A 54 -1.491 -4.828 -6.026 1.00 0.00 C ATOM 786 O ASP A 54 -2.074 -4.422 -5.040 1.00 0.00 O ATOM 787 CB ASP A 54 0.972 -4.991 -5.646 1.00 0.00 C ATOM 788 CG ASP A 54 2.301 -4.863 -6.394 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.451 -5.521 -7.411 1.00 0.00 O ATOM 790 OD2 ASP A 54 3.145 -4.112 -5.938 1.00 0.00 O ATOM 0 H ASP A 54 0.023 -2.577 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 54 0.032 -4.415 -7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.063 -4.566 -4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.712 -6.042 -5.523 1.00 0.00 H new ATOM 795 N ILE A 55 -2.007 -5.757 -6.782 1.00 0.00 N ATOM 796 CA ILE A 55 -3.336 -6.341 -6.441 1.00 0.00 C ATOM 797 C ILE A 55 -3.397 -6.635 -4.940 1.00 0.00 C ATOM 798 O ILE A 55 -2.391 -6.883 -4.305 1.00 0.00 O ATOM 799 CB ILE A 55 -3.539 -7.639 -7.226 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.779 -7.305 -8.702 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.750 -8.389 -6.667 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.301 -8.545 -9.431 1.00 0.00 C ATOM 0 H ILE A 55 -1.567 -6.137 -7.620 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.122 -5.632 -6.702 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.652 -8.266 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.498 -6.490 -8.789 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.853 -6.963 -9.163 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.895 -9.314 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.580 -8.623 -5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.639 -7.765 -6.760 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.471 -8.305 -10.481 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.567 -9.347 -9.356 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.238 -8.867 -8.976 1.00 0.00 H new ATOM 814 N PHE A 56 -4.570 -6.611 -4.370 1.00 0.00 N ATOM 815 CA PHE A 56 -4.697 -6.890 -2.911 1.00 0.00 C ATOM 816 C PHE A 56 -4.967 -8.384 -2.707 1.00 0.00 C ATOM 817 O PHE A 56 -5.794 -8.974 -3.375 1.00 0.00 O ATOM 818 CB PHE A 56 -5.854 -6.059 -2.331 1.00 0.00 C ATOM 819 CG PHE A 56 -6.328 -6.669 -1.030 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.449 -6.780 0.054 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.647 -7.127 -0.912 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.887 -7.347 1.256 1.00 0.00 C ATOM 823 CE2 PHE A 56 -8.085 -7.695 0.290 1.00 0.00 C ATOM 824 CZ PHE A 56 -7.205 -7.806 1.375 1.00 0.00 C ATOM 0 H PHE A 56 -5.447 -6.410 -4.851 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.774 -6.619 -2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.527 -5.033 -2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.677 -6.019 -3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.432 -6.428 -0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.325 -7.042 -1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.209 -7.431 2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.102 -8.048 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.543 -8.245 2.302 1.00 0.00 H new ATOM 834 N SER A 57 -4.278 -8.998 -1.785 1.00 0.00 N ATOM 835 CA SER A 57 -4.495 -10.449 -1.533 1.00 0.00 C ATOM 836 C SER A 57 -5.991 -10.743 -1.510 1.00 0.00 C ATOM 837 O SER A 57 -6.575 -11.143 -2.499 1.00 0.00 O ATOM 838 CB SER A 57 -3.882 -10.829 -0.185 1.00 0.00 C ATOM 839 OG SER A 57 -2.634 -11.472 -0.401 1.00 0.00 O ATOM 0 H SER A 57 -3.573 -8.556 -1.195 1.00 0.00 H new ATOM 0 HA SER A 57 -4.022 -11.030 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.744 -9.939 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.555 -11.490 0.360 1.00 0.00 H new ATOM 0 HG SER A 57 -2.238 -11.715 0.462 1.00 0.00 H new ATOM 845 N ASN A 58 -6.604 -10.551 -0.384 1.00 0.00 N ATOM 846 CA ASN A 58 -8.067 -10.813 -0.257 1.00 0.00 C ATOM 847 C ASN A 58 -8.300 -12.311 -0.061 1.00 0.00 C ATOM 848 O ASN A 58 -9.226 -12.882 -0.601 1.00 0.00 O ATOM 849 CB ASN A 58 -8.790 -10.342 -1.521 1.00 0.00 C ATOM 850 CG ASN A 58 -10.279 -10.160 -1.220 1.00 0.00 C ATOM 851 OD1 ASN A 58 -11.002 -11.125 -1.068 1.00 0.00 O ATOM 852 ND2 ASN A 58 -10.771 -8.955 -1.127 1.00 0.00 N ATOM 0 H ASN A 58 -6.153 -10.219 0.469 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.458 -10.268 0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.361 -9.402 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.656 -11.069 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.762 -8.823 -0.927 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.164 -8.145 -1.255 1.00 0.00 H new ATOM 859 N ARG A 59 -7.466 -12.952 0.712 1.00 0.00 N ATOM 860 CA ARG A 59 -7.640 -14.413 0.946 1.00 0.00 C ATOM 861 C ARG A 59 -8.915 -14.647 1.757 1.00 0.00 C ATOM 862 O ARG A 59 -9.732 -15.482 1.420 1.00 0.00 O ATOM 863 CB ARG A 59 -6.436 -14.951 1.722 1.00 0.00 C ATOM 864 CG ARG A 59 -5.938 -16.239 1.063 1.00 0.00 C ATOM 865 CD ARG A 59 -4.415 -16.318 1.182 1.00 0.00 C ATOM 866 NE ARG A 59 -3.940 -17.634 0.666 1.00 0.00 N ATOM 867 CZ ARG A 59 -4.648 -18.712 0.868 1.00 0.00 C ATOM 868 NH1 ARG A 59 -4.835 -19.153 2.083 1.00 0.00 N ATOM 869 NH2 ARG A 59 -5.171 -19.349 -0.144 1.00 0.00 N ATOM 0 H ARG A 59 -6.672 -12.527 1.191 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.716 -14.930 -0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.639 -14.207 1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.714 -15.144 2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.396 -17.105 1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.233 -16.261 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.954 -15.507 0.618 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.115 -16.194 2.222 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.060 -17.692 0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.428 -18.655 2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.388 -19.995 2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.027 -19.005 -1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.724 -20.191 0.014 1.00 0.00 H new ATOM 883 N GLU A 60 -9.094 -13.916 2.823 1.00 0.00 N ATOM 884 CA GLU A 60 -10.318 -14.095 3.652 1.00 0.00 C ATOM 885 C GLU A 60 -11.505 -13.426 2.956 1.00 0.00 C ATOM 886 O GLU A 60 -12.545 -14.026 2.768 1.00 0.00 O ATOM 887 CB GLU A 60 -10.103 -13.452 5.024 1.00 0.00 C ATOM 888 CG GLU A 60 -10.266 -14.511 6.115 1.00 0.00 C ATOM 889 CD GLU A 60 -8.905 -15.135 6.429 1.00 0.00 C ATOM 890 OE1 GLU A 60 -8.145 -14.516 7.156 1.00 0.00 O ATOM 891 OE2 GLU A 60 -8.646 -16.221 5.937 1.00 0.00 O ATOM 0 H GLU A 60 -8.445 -13.203 3.155 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.521 -15.159 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.108 -13.009 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.820 -12.645 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.687 -14.060 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.964 -15.281 5.787 1.00 0.00 H new ATOM 898 N GLY A 61 -11.356 -12.189 2.568 1.00 0.00 N ATOM 899 CA GLY A 61 -12.475 -11.484 1.881 1.00 0.00 C ATOM 900 C GLY A 61 -13.133 -10.498 2.849 1.00 0.00 C ATOM 901 O GLY A 61 -14.306 -10.600 3.151 1.00 0.00 O ATOM 0 H GLY A 61 -10.508 -11.636 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.101 -10.954 1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.210 -12.207 1.527 1.00 0.00 H new ATOM 905 N LYS A 62 -12.390 -9.544 3.338 1.00 0.00 N ATOM 906 CA LYS A 62 -12.980 -8.554 4.283 1.00 0.00 C ATOM 907 C LYS A 62 -13.264 -7.245 3.545 1.00 0.00 C ATOM 908 O LYS A 62 -13.874 -6.338 4.078 1.00 0.00 O ATOM 909 CB LYS A 62 -12.002 -8.291 5.429 1.00 0.00 C ATOM 910 CG LYS A 62 -12.499 -8.990 6.696 1.00 0.00 C ATOM 911 CD LYS A 62 -12.317 -10.501 6.550 1.00 0.00 C ATOM 912 CE LYS A 62 -13.240 -11.224 7.533 1.00 0.00 C ATOM 913 NZ LYS A 62 -12.960 -12.687 7.492 1.00 0.00 N ATOM 0 H LYS A 62 -11.402 -9.407 3.125 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.911 -8.953 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.010 -8.656 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.911 -7.219 5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.947 -8.629 7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.550 -8.754 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.543 -10.808 5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.279 -10.773 6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.086 -10.841 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.282 -11.035 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.799 -13.210 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.728 -12.969 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.157 -12.904 8.116 1.00 0.00 H new ATOM 927 N LEU A 63 -12.831 -7.140 2.320 1.00 0.00 N ATOM 928 CA LEU A 63 -13.079 -5.892 1.545 1.00 0.00 C ATOM 929 C LEU A 63 -14.390 -6.035 0.763 1.00 0.00 C ATOM 930 O LEU A 63 -14.677 -7.091 0.236 1.00 0.00 O ATOM 931 CB LEU A 63 -11.929 -5.666 0.561 1.00 0.00 C ATOM 932 CG LEU A 63 -10.693 -5.165 1.309 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.474 -5.244 0.387 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.909 -3.712 1.736 1.00 0.00 C ATOM 0 H LEU A 63 -12.315 -7.865 1.821 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.147 -5.046 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.697 -6.595 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.225 -4.940 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.527 -5.784 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.592 -4.887 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.318 -6.278 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.643 -4.624 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.028 -3.355 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.074 -3.094 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.779 -3.650 2.390 1.00 0.00 H new ATOM 946 N PRO A 64 -15.148 -4.968 0.706 1.00 0.00 N ATOM 947 CA PRO A 64 -16.434 -4.959 -0.014 1.00 0.00 C ATOM 948 C PRO A 64 -16.206 -5.247 -1.500 1.00 0.00 C ATOM 949 O PRO A 64 -16.100 -4.345 -2.308 1.00 0.00 O ATOM 950 CB PRO A 64 -16.986 -3.541 0.182 1.00 0.00 C ATOM 951 CG PRO A 64 -15.965 -2.753 1.043 1.00 0.00 C ATOM 952 CD PRO A 64 -14.789 -3.693 1.351 1.00 0.00 C ATOM 0 HA PRO A 64 -17.123 -5.719 0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.133 -3.051 -0.781 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.958 -3.573 0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.618 -1.868 0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.430 -2.407 1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.853 -3.299 0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.653 -3.818 2.425 1.00 0.00 H new ATOM 960 N GLY A 65 -16.124 -6.497 -1.868 1.00 0.00 N ATOM 961 CA GLY A 65 -15.898 -6.838 -3.300 1.00 0.00 C ATOM 962 C GLY A 65 -17.183 -7.409 -3.902 1.00 0.00 C ATOM 963 O GLY A 65 -18.093 -7.795 -3.196 1.00 0.00 O ATOM 0 H GLY A 65 -16.204 -7.296 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.590 -5.950 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.090 -7.564 -3.388 1.00 0.00 H new ATOM 967 N LYS A 66 -17.261 -7.466 -5.203 1.00 0.00 N ATOM 968 CA LYS A 66 -18.485 -8.012 -5.853 1.00 0.00 C ATOM 969 C LYS A 66 -18.112 -9.242 -6.683 1.00 0.00 C ATOM 970 O LYS A 66 -16.951 -9.533 -6.893 1.00 0.00 O ATOM 971 CB LYS A 66 -19.096 -6.947 -6.766 1.00 0.00 C ATOM 972 CG LYS A 66 -19.801 -5.889 -5.915 1.00 0.00 C ATOM 973 CD LYS A 66 -21.201 -5.632 -6.477 1.00 0.00 C ATOM 974 CE LYS A 66 -21.086 -4.931 -7.832 1.00 0.00 C ATOM 975 NZ LYS A 66 -22.442 -4.778 -8.430 1.00 0.00 N ATOM 0 H LYS A 66 -16.530 -7.158 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 66 -19.209 -8.293 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.318 -6.482 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -19.805 -7.406 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.869 -6.225 -4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.223 -4.965 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -21.739 -6.574 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.775 -5.016 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.619 -3.954 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.446 -5.509 -8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.363 -4.301 -9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.871 -5.716 -8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.039 -4.209 -7.796 1.00 0.00 H new ATOM 989 N SER A 67 -19.088 -9.966 -7.156 1.00 0.00 N ATOM 990 CA SER A 67 -18.789 -11.177 -7.973 1.00 0.00 C ATOM 991 C SER A 67 -17.904 -10.786 -9.159 1.00 0.00 C ATOM 992 O SER A 67 -18.366 -10.227 -10.133 1.00 0.00 O ATOM 993 CB SER A 67 -20.097 -11.778 -8.487 1.00 0.00 C ATOM 994 OG SER A 67 -20.884 -12.202 -7.383 1.00 0.00 O ATOM 0 H SER A 67 -20.079 -9.772 -7.013 1.00 0.00 H new ATOM 0 HA SER A 67 -18.268 -11.912 -7.359 1.00 0.00 H new ATOM 0 HB2 SER A 67 -20.643 -11.041 -9.076 1.00 0.00 H new ATOM 0 HB3 SER A 67 -19.889 -12.621 -9.146 1.00 0.00 H new ATOM 0 HG SER A 67 -21.724 -12.586 -7.709 1.00 0.00 H new ATOM 1000 N GLY A 68 -16.633 -11.076 -9.085 1.00 0.00 N ATOM 1001 CA GLY A 68 -15.721 -10.720 -10.209 1.00 0.00 C ATOM 1002 C GLY A 68 -15.199 -9.295 -10.011 1.00 0.00 C ATOM 1003 O GLY A 68 -15.293 -8.461 -10.888 1.00 0.00 O ATOM 0 H GLY A 68 -16.187 -11.544 -8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.888 -11.421 -10.251 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.250 -10.796 -11.159 1.00 0.00 H new ATOM 1007 N ARG A 69 -14.651 -9.010 -8.861 1.00 0.00 N ATOM 1008 CA ARG A 69 -14.125 -7.640 -8.603 1.00 0.00 C ATOM 1009 C ARG A 69 -12.669 -7.731 -8.140 1.00 0.00 C ATOM 1010 O ARG A 69 -12.219 -8.760 -7.674 1.00 0.00 O ATOM 1011 CB ARG A 69 -14.964 -6.970 -7.514 1.00 0.00 C ATOM 1012 CG ARG A 69 -14.816 -5.451 -7.613 1.00 0.00 C ATOM 1013 CD ARG A 69 -15.373 -4.799 -6.347 1.00 0.00 C ATOM 1014 NE ARG A 69 -15.440 -3.324 -6.537 1.00 0.00 N ATOM 1015 CZ ARG A 69 -16.147 -2.593 -5.721 1.00 0.00 C ATOM 1016 NH1 ARG A 69 -17.370 -2.940 -5.427 1.00 0.00 N ATOM 1017 NH2 ARG A 69 -15.632 -1.514 -5.198 1.00 0.00 N ATOM 0 H ARG A 69 -14.545 -9.668 -8.089 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.179 -7.051 -9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -16.011 -7.251 -7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.643 -7.313 -6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.767 -5.185 -7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.347 -5.080 -8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -16.365 -5.194 -6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.739 -5.038 -5.493 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.933 -2.885 -7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -17.773 -3.783 -5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.923 -2.368 -4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.676 -1.242 -5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.185 -0.942 -4.560 1.00 0.00 H new ATOM 1031 N THR A 70 -11.927 -6.665 -8.264 1.00 0.00 N ATOM 1032 CA THR A 70 -10.503 -6.695 -7.831 1.00 0.00 C ATOM 1033 C THR A 70 -10.255 -5.588 -6.803 1.00 0.00 C ATOM 1034 O THR A 70 -11.088 -4.731 -6.585 1.00 0.00 O ATOM 1035 CB THR A 70 -9.597 -6.476 -9.044 1.00 0.00 C ATOM 1036 OG1 THR A 70 -10.382 -6.489 -10.228 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.552 -7.591 -9.111 1.00 0.00 C ATOM 0 H THR A 70 -12.246 -5.775 -8.647 1.00 0.00 H new ATOM 0 HA THR A 70 -10.282 -7.663 -7.381 1.00 0.00 H new ATOM 0 HB THR A 70 -9.093 -5.514 -8.952 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.803 -6.347 -11.006 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.907 -7.434 -9.976 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.950 -7.580 -8.203 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.053 -8.555 -9.203 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.112 -5.601 -6.173 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.803 -4.552 -5.161 1.00 0.00 C ATOM 1047 C TRP A 71 -7.342 -4.127 -5.304 1.00 0.00 C ATOM 1048 O TRP A 71 -6.499 -4.902 -5.711 1.00 0.00 O ATOM 1049 CB TRP A 71 -9.021 -5.114 -3.754 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.417 -4.829 -3.307 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.511 -5.516 -3.702 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.888 -3.803 -2.385 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.625 -4.978 -3.083 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.293 -3.918 -2.263 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.240 -2.792 -1.651 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -13.029 -3.063 -1.440 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -10.978 -1.931 -0.822 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.369 -2.066 -0.718 1.00 0.00 C ATOM 0 H TRP A 71 -8.378 -6.294 -6.316 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.458 -3.695 -5.319 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.840 -6.189 -3.750 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.309 -4.668 -3.060 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.515 -6.349 -4.389 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.576 -5.322 -3.216 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.169 -2.677 -1.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.101 -3.172 -1.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.470 -1.160 -0.261 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.930 -1.400 -0.080 1.00 0.00 H new ATOM 1069 N ARG A 72 -7.030 -2.909 -4.961 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.618 -2.451 -5.065 1.00 0.00 C ATOM 1071 C ARG A 72 -5.062 -2.254 -3.654 1.00 0.00 C ATOM 1072 O ARG A 72 -5.740 -1.759 -2.776 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.557 -1.131 -5.835 1.00 0.00 C ATOM 1074 CG ARG A 72 -5.840 -1.389 -7.316 1.00 0.00 C ATOM 1075 CD ARG A 72 -7.350 -1.480 -7.543 1.00 0.00 C ATOM 1076 NE ARG A 72 -7.649 -1.283 -8.989 1.00 0.00 N ATOM 1077 CZ ARG A 72 -8.817 -1.619 -9.470 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -9.727 -2.132 -8.685 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -9.075 -1.443 -10.737 1.00 0.00 N ATOM 0 H ARG A 72 -7.690 -2.213 -4.614 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.025 -3.195 -5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.287 -0.429 -5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.575 -0.674 -5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.419 -0.587 -7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.358 -2.314 -7.633 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.720 -2.451 -7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.864 -0.725 -6.948 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.940 -0.885 -9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.527 -2.271 -7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.638 -2.393 -9.063 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.365 -1.043 -11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.986 -1.705 -11.113 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.842 -2.647 -3.421 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.265 -2.489 -2.056 1.00 0.00 C ATOM 1095 C GLU A 73 -2.055 -1.553 -2.097 1.00 0.00 C ATOM 1096 O GLU A 73 -1.436 -1.360 -3.128 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.830 -3.858 -1.528 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.595 -4.331 -2.296 1.00 0.00 C ATOM 1099 CD GLU A 73 -0.372 -4.277 -1.377 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -0.121 -5.260 -0.700 1.00 0.00 O ATOM 1101 OE2 GLU A 73 0.291 -3.253 -1.367 1.00 0.00 O ATOM 0 H GLU A 73 -3.221 -3.069 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.022 -2.061 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.607 -3.795 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.640 -4.578 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.746 -5.348 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.434 -3.701 -3.171 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.713 -0.973 -0.978 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.541 -0.053 -0.937 1.00 0.00 C ATOM 1110 C ALA A 74 0.124 -0.146 0.439 1.00 0.00 C ATOM 1111 O ALA A 74 -0.510 -0.462 1.424 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.012 1.383 -1.180 1.00 0.00 C ATOM 0 H ALA A 74 -2.196 -1.097 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 74 0.174 -0.335 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.156 2.057 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.491 1.448 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.725 1.668 -0.406 1.00 0.00 H new ATOM 1118 N ASP A 75 1.398 0.125 0.516 1.00 0.00 N ATOM 1119 CA ASP A 75 2.097 0.049 1.831 1.00 0.00 C ATOM 1120 C ASP A 75 1.722 1.269 2.675 1.00 0.00 C ATOM 1121 O ASP A 75 1.574 2.363 2.168 1.00 0.00 O ATOM 1122 CB ASP A 75 3.610 0.031 1.604 1.00 0.00 C ATOM 1123 CG ASP A 75 4.180 -1.317 2.052 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.775 -1.791 3.100 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.012 -1.852 1.337 1.00 0.00 O ATOM 0 H ASP A 75 1.985 0.395 -0.273 1.00 0.00 H new ATOM 0 HA ASP A 75 1.798 -0.861 2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.832 0.199 0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.081 0.840 2.162 1.00 0.00 H new ATOM 1130 N ILE A 76 1.564 1.094 3.960 1.00 0.00 N ATOM 1131 CA ILE A 76 1.194 2.250 4.825 1.00 0.00 C ATOM 1132 C ILE A 76 2.120 2.301 6.044 1.00 0.00 C ATOM 1133 O ILE A 76 2.200 1.365 6.815 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.254 2.096 5.290 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.196 2.309 4.101 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.557 3.136 6.370 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.220 3.791 3.724 1.00 0.00 C ATOM 0 H ILE A 76 1.675 0.204 4.446 1.00 0.00 H new ATOM 0 HA ILE A 76 1.297 3.174 4.256 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.400 1.096 5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.865 1.712 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.201 1.972 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.590 3.026 6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.114 2.988 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.411 4.137 5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.891 3.940 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.571 4.377 4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.215 4.113 3.452 1.00 0.00 H new ATOM 1149 N ASN A 77 2.817 3.390 6.225 1.00 0.00 N ATOM 1150 CA ASN A 77 3.735 3.507 7.395 1.00 0.00 C ATOM 1151 C ASN A 77 4.953 2.602 7.188 1.00 0.00 C ATOM 1152 O ASN A 77 4.838 1.395 7.128 1.00 0.00 O ATOM 1153 CB ASN A 77 2.999 3.087 8.669 1.00 0.00 C ATOM 1154 CG ASN A 77 2.879 4.288 9.608 1.00 0.00 C ATOM 1155 OD1 ASN A 77 1.792 4.766 9.867 1.00 0.00 O ATOM 1156 ND2 ASN A 77 3.959 4.801 10.134 1.00 0.00 N ATOM 0 H ASN A 77 2.790 4.205 5.612 1.00 0.00 H new ATOM 0 HA ASN A 77 4.065 4.541 7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.009 2.706 8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.537 2.278 9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.890 5.602 10.762 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.872 4.400 9.917 1.00 0.00 H new ATOM 1163 N TYR A 78 6.119 3.179 7.084 1.00 0.00 N ATOM 1164 CA TYR A 78 7.342 2.361 6.889 1.00 0.00 C ATOM 1165 C TYR A 78 8.579 3.250 7.032 1.00 0.00 C ATOM 1166 O TYR A 78 8.691 4.279 6.396 1.00 0.00 O ATOM 1167 CB TYR A 78 7.322 1.731 5.495 1.00 0.00 C ATOM 1168 CG TYR A 78 8.657 1.080 5.219 1.00 0.00 C ATOM 1169 CD1 TYR A 78 9.240 0.245 6.179 1.00 0.00 C ATOM 1170 CD2 TYR A 78 9.310 1.311 4.003 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.477 -0.359 5.923 1.00 0.00 C ATOM 1172 CE2 TYR A 78 10.546 0.707 3.746 1.00 0.00 C ATOM 1173 CZ TYR A 78 11.130 -0.128 4.706 1.00 0.00 C ATOM 1174 OH TYR A 78 12.349 -0.722 4.455 1.00 0.00 O ATOM 0 H TYR A 78 6.274 4.186 7.126 1.00 0.00 H new ATOM 0 HA TYR A 78 7.373 1.572 7.641 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.524 0.991 5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.114 2.492 4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.736 0.067 7.117 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.860 1.956 3.263 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.927 -1.003 6.664 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.049 0.885 2.807 1.00 0.00 H new ATOM 0 HH TYR A 78 12.278 -1.292 3.661 1.00 0.00 H new ATOM 1184 N THR A 79 9.509 2.864 7.863 1.00 0.00 N ATOM 1185 CA THR A 79 10.733 3.695 8.042 1.00 0.00 C ATOM 1186 C THR A 79 11.970 2.871 7.699 1.00 0.00 C ATOM 1187 O THR A 79 12.987 3.394 7.287 1.00 0.00 O ATOM 1188 CB THR A 79 10.821 4.171 9.493 1.00 0.00 C ATOM 1189 OG1 THR A 79 9.731 3.639 10.232 1.00 0.00 O ATOM 1190 CG2 THR A 79 10.773 5.699 9.534 1.00 0.00 C ATOM 0 H THR A 79 9.474 2.013 8.424 1.00 0.00 H new ATOM 0 HA THR A 79 10.681 4.559 7.379 1.00 0.00 H new ATOM 0 HB THR A 79 11.758 3.828 9.932 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.788 3.942 11.162 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.836 6.037 10.568 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.612 6.105 8.968 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.837 6.046 9.095 1.00 0.00 H new ATOM 1198 N SER A 80 11.891 1.587 7.868 1.00 0.00 N ATOM 1199 CA SER A 80 13.059 0.718 7.559 1.00 0.00 C ATOM 1200 C SER A 80 12.809 -0.692 8.096 1.00 0.00 C ATOM 1201 O SER A 80 11.743 -1.001 8.590 1.00 0.00 O ATOM 1202 CB SER A 80 14.300 1.303 8.224 1.00 0.00 C ATOM 1203 OG SER A 80 15.149 1.861 7.230 1.00 0.00 O ATOM 0 H SER A 80 11.064 1.096 8.209 1.00 0.00 H new ATOM 0 HA SER A 80 13.205 0.668 6.480 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.013 2.069 8.945 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.830 0.527 8.777 1.00 0.00 H new ATOM 0 HG SER A 80 14.740 2.675 6.869 1.00 0.00 H new ATOM 1209 N GLY A 81 13.788 -1.552 8.007 1.00 0.00 N ATOM 1210 CA GLY A 81 13.608 -2.943 8.514 1.00 0.00 C ATOM 1211 C GLY A 81 12.581 -3.673 7.649 1.00 0.00 C ATOM 1212 O GLY A 81 11.973 -3.095 6.770 1.00 0.00 O ATOM 0 H GLY A 81 14.704 -1.352 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.559 -3.475 8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.276 -2.923 9.552 1.00 0.00 H new ATOM 1216 N PHE A 82 12.381 -4.940 7.890 1.00 0.00 N ATOM 1217 CA PHE A 82 11.393 -5.707 7.080 1.00 0.00 C ATOM 1218 C PHE A 82 10.121 -4.874 6.905 1.00 0.00 C ATOM 1219 O PHE A 82 9.793 -4.046 7.731 1.00 0.00 O ATOM 1220 CB PHE A 82 11.051 -7.016 7.797 1.00 0.00 C ATOM 1221 CG PHE A 82 11.966 -8.113 7.309 1.00 0.00 C ATOM 1222 CD1 PHE A 82 11.659 -8.810 6.134 1.00 0.00 C ATOM 1223 CD2 PHE A 82 13.121 -8.433 8.031 1.00 0.00 C ATOM 1224 CE1 PHE A 82 12.507 -9.828 5.682 1.00 0.00 C ATOM 1225 CE2 PHE A 82 13.970 -9.451 7.580 1.00 0.00 C ATOM 1226 CZ PHE A 82 13.663 -10.148 6.406 1.00 0.00 C ATOM 0 H PHE A 82 12.859 -5.477 8.613 1.00 0.00 H new ATOM 0 HA PHE A 82 11.820 -5.929 6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.158 -6.891 8.875 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.012 -7.285 7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.768 -8.562 5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.358 -7.894 8.937 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.270 -10.366 4.776 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.861 -9.698 8.138 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.318 -10.933 6.058 1.00 0.00 H new ATOM 1236 N ARG A 83 9.402 -5.087 5.836 1.00 0.00 N ATOM 1237 CA ARG A 83 8.155 -4.308 5.612 1.00 0.00 C ATOM 1238 C ARG A 83 7.330 -4.287 6.901 1.00 0.00 C ATOM 1239 O ARG A 83 7.642 -4.964 7.859 1.00 0.00 O ATOM 1240 CB ARG A 83 7.346 -4.968 4.496 1.00 0.00 C ATOM 1241 CG ARG A 83 8.285 -5.354 3.353 1.00 0.00 C ATOM 1242 CD ARG A 83 7.606 -5.062 2.016 1.00 0.00 C ATOM 1243 NE ARG A 83 6.201 -5.556 2.057 1.00 0.00 N ATOM 1244 CZ ARG A 83 5.917 -6.679 2.661 1.00 0.00 C ATOM 1245 NH1 ARG A 83 6.663 -7.733 2.465 1.00 0.00 N ATOM 1246 NH2 ARG A 83 4.888 -6.748 3.460 1.00 0.00 N ATOM 0 H ARG A 83 9.626 -5.767 5.110 1.00 0.00 H new ATOM 0 HA ARG A 83 8.405 -3.286 5.327 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.834 -5.852 4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.577 -4.285 4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.217 -4.795 3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.541 -6.411 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.621 -3.991 1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.150 -5.547 1.205 1.00 0.00 H new ATOM 0 HE ARG A 83 5.459 -5.016 1.612 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.468 -7.679 1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.441 -8.610 2.937 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.305 -5.925 3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.666 -7.625 3.932 1.00 0.00 H new ATOM 1260 N ASN A 84 6.280 -3.512 6.934 1.00 0.00 N ATOM 1261 CA ASN A 84 5.442 -3.451 8.166 1.00 0.00 C ATOM 1262 C ASN A 84 4.129 -4.198 7.928 1.00 0.00 C ATOM 1263 O ASN A 84 3.928 -4.810 6.898 1.00 0.00 O ATOM 1264 CB ASN A 84 5.140 -1.990 8.510 1.00 0.00 C ATOM 1265 CG ASN A 84 5.006 -1.175 7.223 1.00 0.00 C ATOM 1266 OD1 ASN A 84 5.989 -0.875 6.575 1.00 0.00 O ATOM 1267 ND2 ASN A 84 3.822 -0.802 6.822 1.00 0.00 N ATOM 0 H ASN A 84 5.967 -2.920 6.164 1.00 0.00 H new ATOM 0 HA ASN A 84 5.981 -3.915 8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.219 -1.926 9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.937 -1.580 9.130 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.722 -0.259 5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.997 -1.054 7.366 1.00 0.00 H new ATOM 1274 N SER A 85 3.233 -4.151 8.875 1.00 0.00 N ATOM 1275 CA SER A 85 1.932 -4.857 8.706 1.00 0.00 C ATOM 1276 C SER A 85 0.825 -3.832 8.445 1.00 0.00 C ATOM 1277 O SER A 85 -0.338 -4.172 8.348 1.00 0.00 O ATOM 1278 CB SER A 85 1.610 -5.644 9.976 1.00 0.00 C ATOM 1279 OG SER A 85 2.802 -6.231 10.481 1.00 0.00 O ATOM 0 H SER A 85 3.346 -3.654 9.759 1.00 0.00 H new ATOM 0 HA SER A 85 1.998 -5.543 7.861 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.171 -4.985 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.873 -6.418 9.761 1.00 0.00 H new ATOM 0 HG SER A 85 2.598 -6.735 11.297 1.00 0.00 H new ATOM 1285 N ASP A 86 1.175 -2.579 8.332 1.00 0.00 N ATOM 1286 CA ASP A 86 0.139 -1.538 8.079 1.00 0.00 C ATOM 1287 C ASP A 86 0.058 -1.251 6.578 1.00 0.00 C ATOM 1288 O ASP A 86 1.054 -1.003 5.925 1.00 0.00 O ATOM 1289 CB ASP A 86 0.512 -0.256 8.826 1.00 0.00 C ATOM 1290 CG ASP A 86 0.660 -0.560 10.317 1.00 0.00 C ATOM 1291 OD1 ASP A 86 1.464 -1.415 10.651 1.00 0.00 O ATOM 1292 OD2 ASP A 86 -0.034 0.066 11.101 1.00 0.00 O ATOM 0 H ASP A 86 2.132 -2.232 8.404 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.829 -1.895 8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.444 0.149 8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.255 0.503 8.673 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.123 -1.280 6.027 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.273 -1.009 4.569 1.00 0.00 C ATOM 1299 C ARG A 87 -2.683 -0.486 4.298 1.00 0.00 C ATOM 1300 O ARG A 87 -3.493 -0.377 5.191 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.055 -2.303 3.783 1.00 0.00 C ATOM 1302 CG ARG A 87 0.382 -2.789 3.981 1.00 0.00 C ATOM 1303 CD ARG A 87 0.775 -3.708 2.822 1.00 0.00 C ATOM 1304 NE ARG A 87 1.732 -4.740 3.308 1.00 0.00 N ATOM 1305 CZ ARG A 87 1.971 -5.801 2.587 1.00 0.00 C ATOM 1306 NH1 ARG A 87 2.690 -5.704 1.502 1.00 0.00 N ATOM 1307 NH2 ARG A 87 1.491 -6.958 2.953 1.00 0.00 N ATOM 0 H ARG A 87 -1.992 -1.480 6.523 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.537 -0.267 4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.757 -3.066 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.250 -2.134 2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.061 -1.938 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.470 -3.322 4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.112 -4.186 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.228 -3.126 2.020 1.00 0.00 H new ATOM 0 HE ARG A 87 2.201 -4.617 4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.065 -4.799 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.877 -6.533 0.938 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.930 -7.032 3.802 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.677 -7.788 2.390 1.00 0.00 H new ATOM 1321 N ILE A 88 -2.986 -0.166 3.072 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.349 0.343 2.753 1.00 0.00 C ATOM 1323 C ILE A 88 -4.862 -0.347 1.488 1.00 0.00 C ATOM 1324 O ILE A 88 -4.097 -0.744 0.631 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.294 1.855 2.534 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.717 2.397 2.377 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.492 2.163 1.269 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.811 3.781 3.022 1.00 0.00 C ATOM 0 H ILE A 88 -2.350 -0.235 2.277 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.024 0.128 3.582 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.814 2.327 3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.980 2.458 1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.430 1.717 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.455 3.241 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.479 1.777 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.970 1.691 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.824 4.167 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.566 3.706 4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.109 4.458 2.535 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.152 -0.499 1.370 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.718 -1.169 0.165 1.00 0.00 C ATOM 1342 C LEU A 89 -7.688 -0.222 -0.544 1.00 0.00 C ATOM 1343 O LEU A 89 -8.767 0.046 -0.059 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.477 -2.430 0.595 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.491 -3.493 1.085 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.347 -3.626 0.083 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.931 -3.084 2.449 1.00 0.00 C ATOM 0 H LEU A 89 -6.839 -0.188 2.056 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.907 -1.436 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.185 -2.186 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.057 -2.818 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.006 -4.449 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.644 -4.383 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.746 -3.921 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.833 -2.670 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.229 -3.842 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.417 -2.127 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.748 -2.991 3.165 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.326 0.278 -1.695 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.255 1.192 -2.418 1.00 0.00 C ATOM 1361 C TYR A 90 -8.897 0.440 -3.587 1.00 0.00 C ATOM 1362 O TYR A 90 -8.253 -0.331 -4.273 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.509 2.426 -2.939 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.204 2.028 -3.590 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.079 1.758 -2.800 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -6.117 1.948 -4.984 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -3.867 1.404 -3.407 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.907 1.594 -5.590 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.782 1.322 -4.803 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.588 0.974 -5.401 1.00 0.00 O ATOM 0 H TYR A 90 -6.437 0.096 -2.161 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.028 1.527 -1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.133 2.957 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.315 3.114 -2.116 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.146 1.823 -1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.984 2.160 -5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.999 1.195 -2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.841 1.531 -6.666 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.375 1.620 -6.107 1.00 0.00 H new ATOM 1380 N SER A 91 -10.169 0.643 -3.806 1.00 0.00 N ATOM 1381 CA SER A 91 -10.858 -0.076 -4.921 1.00 0.00 C ATOM 1382 C SER A 91 -11.158 0.888 -6.073 1.00 0.00 C ATOM 1383 O SER A 91 -10.941 2.080 -5.976 1.00 0.00 O ATOM 1384 CB SER A 91 -12.171 -0.667 -4.406 1.00 0.00 C ATOM 1385 OG SER A 91 -11.985 -1.131 -3.076 1.00 0.00 O ATOM 0 H SER A 91 -10.760 1.273 -3.264 1.00 0.00 H new ATOM 0 HA SER A 91 -10.206 -0.871 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.958 0.086 -4.434 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.491 -1.487 -5.049 1.00 0.00 H new ATOM 0 HG SER A 91 -11.652 -2.053 -3.095 1.00 0.00 H new ATOM 1391 N SER A 92 -11.658 0.373 -7.168 1.00 0.00 N ATOM 1392 CA SER A 92 -11.974 1.247 -8.334 1.00 0.00 C ATOM 1393 C SER A 92 -13.098 2.210 -7.962 1.00 0.00 C ATOM 1394 O SER A 92 -13.239 3.271 -8.536 1.00 0.00 O ATOM 1395 CB SER A 92 -12.407 0.385 -9.520 1.00 0.00 C ATOM 1396 OG SER A 92 -13.824 0.264 -9.520 1.00 0.00 O ATOM 0 H SER A 92 -11.861 -0.617 -7.303 1.00 0.00 H new ATOM 0 HA SER A 92 -11.087 1.817 -8.609 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.069 0.834 -10.454 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.946 -0.601 -9.455 1.00 0.00 H new ATOM 0 HG SER A 92 -14.105 -0.287 -10.280 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.890 1.852 -6.997 1.00 0.00 N ATOM 1403 CA ASP A 93 -14.995 2.742 -6.572 1.00 0.00 C ATOM 1404 C ASP A 93 -14.482 3.679 -5.478 1.00 0.00 C ATOM 1405 O ASP A 93 -15.242 4.273 -4.739 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.165 1.907 -6.041 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.823 1.360 -4.654 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.651 1.343 -4.318 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.741 0.968 -3.953 1.00 0.00 O ATOM 0 H ASP A 93 -13.818 0.975 -6.482 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.344 3.327 -7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.066 2.518 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.377 1.085 -6.724 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.187 3.808 -5.377 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.587 4.697 -4.346 1.00 0.00 C ATOM 1416 C TRP A 94 -12.866 4.146 -2.948 1.00 0.00 C ATOM 1417 O TRP A 94 -12.940 4.882 -1.984 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.155 6.111 -4.477 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.297 6.895 -5.416 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.757 7.727 -6.379 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.840 6.932 -5.505 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.679 8.270 -7.054 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.476 7.811 -6.553 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -9.808 6.296 -4.788 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.141 8.049 -6.878 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.464 6.532 -5.114 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.131 7.406 -6.157 1.00 0.00 C ATOM 0 H TRP A 94 -12.512 3.329 -5.973 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.508 4.735 -4.499 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.180 6.072 -4.847 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.186 6.596 -3.501 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.797 7.933 -6.587 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.762 8.929 -7.828 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.053 5.621 -3.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.889 8.726 -7.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.682 6.037 -4.558 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.095 7.583 -6.404 1.00 0.00 H new ATOM 1438 N LEU A 95 -12.993 2.854 -2.824 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.234 2.259 -1.482 1.00 0.00 C ATOM 1440 C LEU A 95 -11.890 2.158 -0.765 1.00 0.00 C ATOM 1441 O LEU A 95 -11.022 1.412 -1.173 1.00 0.00 O ATOM 1442 CB LEU A 95 -13.837 0.861 -1.635 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.342 0.913 -1.366 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -15.908 -0.508 -1.358 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.598 1.569 -0.008 1.00 0.00 C ATOM 0 H LEU A 95 -12.940 2.186 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.927 2.879 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.651 0.483 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.358 0.170 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.829 1.496 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.980 -0.471 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.728 -0.977 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.419 -1.090 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.671 1.605 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.110 0.988 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.196 2.582 -0.012 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.696 2.916 0.280 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.388 2.867 0.992 1.00 0.00 C ATOM 1459 C ILE A 96 -10.539 2.198 2.359 1.00 0.00 C ATOM 1460 O ILE A 96 -11.130 2.742 3.274 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.859 4.291 1.179 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.255 5.146 -0.026 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.335 4.253 1.294 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.545 6.499 0.051 1.00 0.00 C ATOM 0 H ILE A 96 -12.382 3.563 0.669 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.688 2.283 0.395 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.285 4.721 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.987 4.635 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.335 5.291 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.955 5.266 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.050 3.643 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.912 3.823 0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.828 7.108 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.835 7.010 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.466 6.344 0.047 1.00 0.00 H new ATOM 1476 N TYR A 97 -9.984 1.026 2.507 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.057 0.309 3.810 1.00 0.00 C ATOM 1478 C TYR A 97 -8.641 0.216 4.384 1.00 0.00 C ATOM 1479 O TYR A 97 -7.784 -0.438 3.827 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.611 -1.100 3.592 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.118 -1.053 3.546 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.773 -0.772 2.342 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.862 -1.294 4.708 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.172 -0.731 2.298 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.260 -1.252 4.665 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.915 -0.972 3.460 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.294 -0.932 3.418 1.00 0.00 O ATOM 0 H TYR A 97 -9.478 0.531 1.773 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.712 0.844 4.498 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.222 -1.514 2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.283 -1.759 4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.199 -0.587 1.446 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.357 -1.512 5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.677 -0.514 1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.834 -1.436 5.561 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.654 -1.123 4.309 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.380 0.875 5.477 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.005 0.825 6.051 1.00 0.00 C ATOM 1499 C LYS A 98 -6.880 -0.351 7.023 1.00 0.00 C ATOM 1500 O LYS A 98 -7.725 -0.571 7.868 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.714 2.131 6.796 1.00 0.00 C ATOM 1502 CG LYS A 98 -7.861 2.439 7.759 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.303 3.092 9.026 1.00 0.00 C ATOM 1504 CE LYS A 98 -7.903 4.489 9.189 1.00 0.00 C ATOM 1505 NZ LYS A 98 -7.352 5.125 10.419 1.00 0.00 N ATOM 0 H LYS A 98 -9.052 1.442 5.995 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.288 0.695 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.777 2.047 7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.594 2.948 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.582 3.103 7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.392 1.522 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.538 2.480 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.217 3.156 8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.672 5.100 8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.989 4.425 9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.759 6.075 10.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.594 4.545 11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.318 5.199 10.338 1.00 0.00 H new ATOM 1519 N THR A 99 -5.818 -1.101 6.906 1.00 0.00 N ATOM 1520 CA THR A 99 -5.604 -2.262 7.811 1.00 0.00 C ATOM 1521 C THR A 99 -4.335 -2.024 8.634 1.00 0.00 C ATOM 1522 O THR A 99 -3.288 -1.713 8.097 1.00 0.00 O ATOM 1523 CB THR A 99 -5.435 -3.534 6.978 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.767 -4.518 7.755 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.611 -3.221 5.729 1.00 0.00 C ATOM 0 H THR A 99 -5.083 -0.956 6.214 1.00 0.00 H new ATOM 0 HA THR A 99 -6.461 -2.375 8.474 1.00 0.00 H new ATOM 0 HB THR A 99 -6.414 -3.908 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.216 -4.611 8.621 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.491 -4.128 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.123 -2.464 5.135 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.630 -2.848 6.024 1.00 0.00 H new ATOM 1533 N THR A 100 -4.415 -2.162 9.928 1.00 0.00 N ATOM 1534 CA THR A 100 -3.210 -1.939 10.774 1.00 0.00 C ATOM 1535 C THR A 100 -2.766 -3.265 11.397 1.00 0.00 C ATOM 1536 O THR A 100 -2.179 -3.296 12.460 1.00 0.00 O ATOM 1537 CB THR A 100 -3.543 -0.940 11.884 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.923 -1.038 12.209 1.00 0.00 O ATOM 1539 CG2 THR A 100 -3.230 0.479 11.406 1.00 0.00 C ATOM 0 H THR A 100 -5.261 -2.419 10.436 1.00 0.00 H new ATOM 0 HA THR A 100 -2.404 -1.542 10.157 1.00 0.00 H new ATOM 0 HB THR A 100 -2.944 -1.164 12.767 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.137 -0.400 12.921 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.467 1.190 12.197 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.172 0.554 11.157 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.828 0.706 10.523 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.040 -4.360 10.743 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.631 -5.681 11.299 1.00 0.00 C ATOM 1549 C ASP A 101 -2.365 -6.658 10.150 1.00 0.00 C ATOM 1550 O ASP A 101 -2.411 -7.860 10.321 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.749 -6.231 12.188 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.107 -5.784 11.643 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.211 -5.609 10.441 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.018 -5.622 12.437 1.00 0.00 O ATOM 0 H ASP A 101 -3.529 -4.397 9.849 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.724 -5.560 11.891 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.699 -7.319 12.220 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.622 -5.876 13.211 1.00 0.00 H new ATOM 1559 N HIS A 102 -2.090 -6.149 8.979 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.823 -7.043 7.817 1.00 0.00 C ATOM 1561 C HIS A 102 -3.148 -7.591 7.283 1.00 0.00 C ATOM 1562 O HIS A 102 -3.460 -8.754 7.439 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.928 -8.205 8.254 1.00 0.00 C ATOM 1564 CG HIS A 102 -0.269 -8.811 7.045 1.00 0.00 C ATOM 1565 ND1 HIS A 102 -0.989 -9.175 5.917 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.040 -9.122 6.771 1.00 0.00 C ATOM 1567 CE1 HIS A 102 -0.116 -9.679 5.025 1.00 0.00 C ATOM 1568 NE2 HIS A 102 1.134 -9.669 5.495 1.00 0.00 N ATOM 0 H HIS A 102 -2.039 -5.150 8.777 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.319 -6.477 7.033 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.172 -7.852 8.955 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.519 -8.958 8.775 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -1.996 -9.078 5.787 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.870 -8.966 7.444 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -0.393 -10.047 4.048 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.932 -6.755 6.659 1.00 0.00 N ATOM 1577 CA TYR A 103 -5.239 -7.218 6.116 1.00 0.00 C ATOM 1578 C TYR A 103 -6.018 -7.960 7.205 1.00 0.00 C ATOM 1579 O TYR A 103 -6.917 -8.727 6.924 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.999 -8.152 4.928 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.887 -7.597 4.068 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.906 -6.251 3.684 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.839 -8.428 3.657 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.876 -5.736 2.887 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.810 -7.914 2.859 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.828 -6.568 2.475 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.813 -6.061 1.690 1.00 0.00 O ATOM 0 H TYR A 103 -3.723 -5.769 6.502 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.817 -6.355 5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.736 -9.149 5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.912 -8.253 4.341 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.715 -5.610 4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.824 -9.466 3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.890 -4.698 2.590 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.002 -8.556 2.540 1.00 0.00 H new ATOM 0 HH TYR A 103 -1.139 -5.937 0.774 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.690 -7.729 8.449 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.422 -8.414 9.553 1.00 0.00 C ATOM 1599 C GLN A 104 -7.608 -7.547 9.972 1.00 0.00 C ATOM 1600 O GLN A 104 -8.536 -8.001 10.611 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.486 -8.618 10.745 1.00 0.00 C ATOM 1602 CG GLN A 104 -4.897 -10.029 10.697 1.00 0.00 C ATOM 1603 CD GLN A 104 -5.629 -10.923 11.699 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -6.314 -10.438 12.577 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -5.510 -12.220 11.606 1.00 0.00 N ATOM 0 H GLN A 104 -4.948 -7.096 8.747 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.777 -9.386 9.212 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.686 -7.878 10.723 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.031 -8.472 11.678 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.991 -10.439 9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.833 -9.998 10.931 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.935 -12.628 10.869 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.992 -12.825 12.270 1.00 0.00 H new ATOM 1614 N THR A 105 -7.578 -6.301 9.601 1.00 0.00 N ATOM 1615 CA THR A 105 -8.692 -5.377 9.948 1.00 0.00 C ATOM 1616 C THR A 105 -8.899 -4.413 8.781 1.00 0.00 C ATOM 1617 O THR A 105 -8.035 -4.256 7.942 1.00 0.00 O ATOM 1618 CB THR A 105 -8.337 -4.590 11.212 1.00 0.00 C ATOM 1619 OG1 THR A 105 -9.468 -3.836 11.630 1.00 0.00 O ATOM 1620 CG2 THR A 105 -7.172 -3.644 10.920 1.00 0.00 C ATOM 0 H THR A 105 -6.820 -5.877 9.066 1.00 0.00 H new ATOM 0 HA THR A 105 -9.605 -5.943 10.133 1.00 0.00 H new ATOM 0 HB THR A 105 -8.047 -5.283 12.002 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.244 -3.332 12.440 1.00 0.00 H new ATOM 0 HG21 THR A 105 -6.922 -3.085 11.822 1.00 0.00 H new ATOM 0 HG22 THR A 105 -6.305 -4.222 10.599 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.457 -2.949 10.130 1.00 0.00 H new ATOM 1628 N PHE A 106 -10.029 -3.771 8.703 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.256 -2.836 7.567 1.00 0.00 C ATOM 1630 C PHE A 106 -11.163 -1.685 8.003 1.00 0.00 C ATOM 1631 O PHE A 106 -12.292 -1.886 8.402 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.912 -3.597 6.415 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.977 -4.683 5.941 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.959 -4.382 5.028 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -10.128 -5.991 6.415 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -8.092 -5.390 4.589 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -9.261 -6.998 5.977 1.00 0.00 C ATOM 1638 CZ PHE A 106 -8.244 -6.699 5.063 1.00 0.00 C ATOM 0 H PHE A 106 -10.798 -3.851 9.368 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.300 -2.426 7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.857 -4.031 6.742 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.141 -2.915 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.843 -3.372 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.914 -6.223 7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.306 -5.158 3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.377 -8.007 6.344 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.577 -7.477 4.723 1.00 0.00 H new ATOM 1648 N THR A 107 -10.674 -0.480 7.921 1.00 0.00 N ATOM 1649 CA THR A 107 -11.503 0.691 8.318 1.00 0.00 C ATOM 1650 C THR A 107 -11.894 1.475 7.065 1.00 0.00 C ATOM 1651 O THR A 107 -11.051 1.880 6.288 1.00 0.00 O ATOM 1652 CB THR A 107 -10.697 1.592 9.257 1.00 0.00 C ATOM 1653 OG1 THR A 107 -9.977 0.788 10.180 1.00 0.00 O ATOM 1654 CG2 THR A 107 -11.647 2.519 10.018 1.00 0.00 C ATOM 0 H THR A 107 -9.734 -0.255 7.595 1.00 0.00 H new ATOM 0 HA THR A 107 -12.402 0.349 8.831 1.00 0.00 H new ATOM 0 HB THR A 107 -9.998 2.191 8.674 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.459 1.364 10.781 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.072 3.160 10.686 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.199 3.136 9.309 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.348 1.922 10.602 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.163 1.690 6.859 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.604 2.445 5.653 1.00 0.00 C ATOM 1664 C LYS A 108 -13.415 3.943 5.893 1.00 0.00 C ATOM 1665 O LYS A 108 -14.207 4.580 6.558 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.082 2.153 5.381 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.505 2.830 4.076 1.00 0.00 C ATOM 1668 CD LYS A 108 -17.018 3.061 4.089 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.441 3.753 2.793 1.00 0.00 C ATOM 1670 NZ LYS A 108 -16.973 5.169 2.809 1.00 0.00 N ATOM 0 H LYS A 108 -13.914 1.376 7.473 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.009 2.137 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.245 1.077 5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.693 2.517 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.982 3.779 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.228 2.208 3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.541 2.110 4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.296 3.673 4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.020 3.229 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.525 3.718 2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -16.933 5.532 1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -17.634 5.747 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.026 5.217 3.236 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.369 4.510 5.358 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.130 5.968 5.559 1.00 0.00 C ATOM 1686 C ILE A 109 -12.484 6.726 4.279 1.00 0.00 C ATOM 1687 O ILE A 109 -12.077 7.854 4.082 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.658 6.201 5.901 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -9.790 5.841 4.693 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.262 5.323 7.089 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.349 6.283 4.950 1.00 0.00 C ATOM 0 H ILE A 109 -11.671 4.029 4.792 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.754 6.328 6.377 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.509 7.250 6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.825 4.766 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.176 6.327 3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.213 5.490 7.331 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.879 5.578 7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.412 4.274 6.832 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.731 6.027 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.322 7.361 5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.966 5.777 5.836 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.240 6.118 3.407 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.619 6.806 2.141 1.00 0.00 C ATOM 1705 C ARG A 110 -14.497 5.877 1.299 1.00 0.00 C ATOM 1706 O ARG A 110 -15.344 6.384 0.583 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.354 7.162 1.357 1.00 0.00 C ATOM 1708 CG ARG A 110 -12.203 8.683 1.294 1.00 0.00 C ATOM 1709 CD ARG A 110 -10.753 9.066 1.596 1.00 0.00 C ATOM 1710 NE ARG A 110 -10.722 10.048 2.716 1.00 0.00 N ATOM 1711 CZ ARG A 110 -9.602 10.293 3.339 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -8.988 9.335 3.979 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -9.095 11.495 3.322 1.00 0.00 N ATOM 1714 OXT ARG A 110 -14.306 4.675 1.385 1.00 0.00 O ATOM 0 H ARG A 110 -13.612 5.174 3.516 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.172 7.717 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.480 6.719 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.410 6.750 0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.488 9.047 0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.872 9.155 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.179 8.178 1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.287 9.495 0.709 1.00 0.00 H new ATOM 0 HE ARG A 110 -11.577 10.529 2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.384 8.395 3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.112 9.526 4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.574 12.244 2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.219 11.686 3.809 1.00 0.00 H new TER 1728 ARG A 110