USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 90 A O2' : rot 24:sc= 0.595 USER MOD Single : A 90 A O5' : rot -73:sc= 0.727 USER MOD Single : A 91 A O2' : rot 13:sc= 0.234 USER MOD Single : A 92 C O2' : rot 16:sc= 0.214 USER MOD Single : A 93 A O2' : rot -65:sc= 0.696 USER MOD Single : A 94 A O2' : rot 11:sc= 0.227 USER MOD Single : A 95 A O2' : rot 174:sc= 0 USER MOD Single : A 95 A O3' : rot 130:sc= 0.136 USER MOD Single : B 13 ASN : amide:sc= -0.63 K(o=-0.63,f=-4.4!) USER MOD Single : B 14 ASN : amide:sc= 0.112 K(o=0.11,f=-5.3!) USER MOD Single : B 16 CYS SG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot -4:sc= 1.16 USER MOD Single : B 22 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.3) USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -149:sc= 1.26 (180deg=0.931) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 175:sc= 0.969 (180deg=0.945) USER MOD Single : B 49 ASN : amide:sc= -0.269 K(o=-0.27,f=-4.2!) USER MOD Single : B 72 SER OG : rot -27:sc= 0.36 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL B 6 -1.866 1.291 -6.797 1.00 0.00 N ATOM 2 CA VAL B 6 -1.927 2.275 -5.699 1.00 0.00 C ATOM 3 C VAL B 6 -0.781 3.281 -5.791 1.00 0.00 C ATOM 4 O VAL B 6 0.327 2.920 -6.192 1.00 0.00 O ATOM 5 CB VAL B 6 -1.953 1.589 -4.325 1.00 0.00 C ATOM 6 CG1 VAL B 6 -2.307 2.598 -3.229 1.00 0.00 C ATOM 7 CG2 VAL B 6 -2.982 0.456 -4.306 1.00 0.00 C ATOM 0 HA VAL B 6 -2.862 2.824 -5.808 1.00 0.00 H new ATOM 0 HB VAL B 6 -0.960 1.180 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -2.321 2.095 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -1.563 3.394 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -3.290 3.024 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -2.984 -0.017 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -3.972 0.860 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -2.723 -0.283 -5.064 1.00 0.00 H new ATOM 17 N ILE B 7 -1.047 4.535 -5.422 1.00 0.00 N ATOM 18 CA ILE B 7 -0.042 5.588 -5.458 1.00 0.00 C ATOM 19 C ILE B 7 1.028 5.308 -4.397 1.00 0.00 C ATOM 20 O ILE B 7 0.753 4.656 -3.389 1.00 0.00 O ATOM 21 CB ILE B 7 -0.715 6.961 -5.262 1.00 0.00 C ATOM 22 CG1 ILE B 7 -1.410 7.434 -6.552 1.00 0.00 C ATOM 23 CG2 ILE B 7 0.313 8.031 -4.891 1.00 0.00 C ATOM 24 CD1 ILE B 7 -2.588 6.540 -6.940 1.00 0.00 C ATOM 0 H ILE B 7 -1.961 4.844 -5.092 1.00 0.00 H new ATOM 0 HA ILE B 7 0.451 5.606 -6.430 1.00 0.00 H new ATOM 0 HB ILE B 7 -1.443 6.832 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE B 7 -1.762 8.457 -6.418 1.00 0.00 H new ATOM 0 HG13 ILE B 7 -0.686 7.450 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.190 8.989 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE B 7 0.810 7.751 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE B 7 1.053 8.116 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE B 7 -3.044 6.916 -7.856 1.00 0.00 H new ATOM 0 HD12 ILE B 7 -2.234 5.522 -7.102 1.00 0.00 H new ATOM 0 HD13 ILE B 7 -3.327 6.544 -6.139 1.00 0.00 H new ATOM 36 N ARG B 8 2.256 5.798 -4.622 1.00 0.00 N ATOM 37 CA ARG B 8 3.380 5.542 -3.727 1.00 0.00 C ATOM 38 C ARG B 8 3.168 6.158 -2.341 1.00 0.00 C ATOM 39 O ARG B 8 2.213 6.899 -2.115 1.00 0.00 O ATOM 40 CB ARG B 8 4.685 6.044 -4.362 1.00 0.00 C ATOM 41 CG ARG B 8 4.652 7.516 -4.801 1.00 0.00 C ATOM 42 CD ARG B 8 4.335 8.480 -3.655 1.00 0.00 C ATOM 43 NE ARG B 8 4.710 9.854 -4.003 1.00 0.00 N ATOM 44 CZ ARG B 8 3.877 10.765 -4.510 1.00 0.00 C ATOM 45 NH1 ARG B 8 2.591 10.481 -4.692 1.00 0.00 N ATOM 46 NH2 ARG B 8 4.335 11.969 -4.834 1.00 0.00 N ATOM 0 H ARG B 8 2.491 6.379 -5.427 1.00 0.00 H new ATOM 0 HA ARG B 8 3.450 4.464 -3.582 1.00 0.00 H new ATOM 0 HB2 ARG B 8 5.498 5.908 -3.648 1.00 0.00 H new ATOM 0 HB3 ARG B 8 4.915 5.424 -5.229 1.00 0.00 H new ATOM 0 HG2 ARG B 8 5.617 7.781 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG B 8 3.906 7.638 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG B 8 3.271 8.438 -3.424 1.00 0.00 H new ATOM 0 HD3 ARG B 8 4.869 8.170 -2.757 1.00 0.00 H new ATOM 0 HE ARG B 8 5.678 10.134 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG B 8 2.232 9.559 -4.443 1.00 0.00 H new ATOM 0 HH12 ARG B 8 1.963 11.185 -5.080 1.00 0.00 H new ATOM 0 HH21 ARG B 8 5.320 12.194 -4.695 1.00 0.00 H new ATOM 0 HH22 ARG B 8 3.702 12.668 -5.222 1.00 0.00 H new ATOM 60 N GLY B 9 4.071 5.836 -1.414 1.00 0.00 N ATOM 61 CA GLY B 9 4.068 6.408 -0.078 1.00 0.00 C ATOM 62 C GLY B 9 2.922 5.927 0.823 1.00 0.00 C ATOM 63 O GLY B 9 2.527 6.678 1.712 1.00 0.00 O ATOM 0 H GLY B 9 4.825 5.168 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY B 9 5.016 6.172 0.406 1.00 0.00 H new ATOM 0 HA3 GLY B 9 4.015 7.493 -0.162 1.00 0.00 H new ATOM 67 N PRO B 10 2.369 4.713 0.636 1.00 0.00 N ATOM 68 CA PRO B 10 1.293 4.223 1.483 1.00 0.00 C ATOM 69 C PRO B 10 1.821 3.907 2.884 1.00 0.00 C ATOM 70 O PRO B 10 1.063 3.926 3.851 1.00 0.00 O ATOM 71 CB PRO B 10 0.787 2.953 0.796 1.00 0.00 C ATOM 72 CG PRO B 10 2.007 2.442 0.035 1.00 0.00 C ATOM 73 CD PRO B 10 2.740 3.721 -0.359 1.00 0.00 C ATOM 0 HA PRO B 10 0.499 4.960 1.605 1.00 0.00 H new ATOM 0 HB2 PRO B 10 0.431 2.220 1.521 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -0.044 3.166 0.124 1.00 0.00 H new ATOM 0 HG2 PRO B 10 2.628 1.798 0.658 1.00 0.00 H new ATOM 0 HG3 PRO B 10 1.720 1.858 -0.839 1.00 0.00 H new ATOM 0 HD2 PRO B 10 3.819 3.565 -0.372 1.00 0.00 H new ATOM 0 HD3 PRO B 10 2.452 4.044 -1.359 1.00 0.00 H new ATOM 81 N ALA B 11 3.122 3.615 2.989 1.00 0.00 N ATOM 82 CA ALA B 11 3.774 3.313 4.252 1.00 0.00 C ATOM 83 C ALA B 11 5.285 3.487 4.112 1.00 0.00 C ATOM 84 O ALA B 11 5.816 3.444 3.002 1.00 0.00 O ATOM 85 CB ALA B 11 3.430 1.882 4.665 1.00 0.00 C ATOM 0 H ALA B 11 3.751 3.583 2.187 1.00 0.00 H new ATOM 0 HA ALA B 11 3.422 3.999 5.023 1.00 0.00 H new ATOM 0 HB1 ALA B 11 3.917 1.650 5.612 1.00 0.00 H new ATOM 0 HB2 ALA B 11 2.350 1.786 4.779 1.00 0.00 H new ATOM 0 HB3 ALA B 11 3.778 1.189 3.899 1.00 0.00 H new ATOM 91 N GLY B 12 5.975 3.679 5.239 1.00 0.00 N ATOM 92 CA GLY B 12 7.419 3.873 5.245 1.00 0.00 C ATOM 93 C GLY B 12 8.173 2.547 5.166 1.00 0.00 C ATOM 94 O GLY B 12 9.396 2.541 5.053 1.00 0.00 O ATOM 0 H GLY B 12 5.548 3.704 6.165 1.00 0.00 H new ATOM 0 HA2 GLY B 12 7.704 4.503 4.403 1.00 0.00 H new ATOM 0 HA3 GLY B 12 7.710 4.403 6.152 1.00 0.00 H new ATOM 98 N ASN B 13 7.451 1.424 5.229 1.00 0.00 N ATOM 99 CA ASN B 13 8.055 0.098 5.214 1.00 0.00 C ATOM 100 C ASN B 13 8.271 -0.414 3.783 1.00 0.00 C ATOM 101 O ASN B 13 8.616 -1.579 3.595 1.00 0.00 O ATOM 102 CB ASN B 13 7.194 -0.874 6.029 1.00 0.00 C ATOM 103 CG ASN B 13 5.754 -0.937 5.535 1.00 0.00 C ATOM 104 OD1 ASN B 13 5.473 -0.663 4.370 1.00 0.00 O ATOM 105 ND2 ASN B 13 4.833 -1.301 6.424 1.00 0.00 N ATOM 0 H ASN B 13 6.433 1.414 5.292 1.00 0.00 H new ATOM 0 HA ASN B 13 9.041 0.166 5.674 1.00 0.00 H new ATOM 0 HB2 ASN B 13 7.634 -1.870 5.982 1.00 0.00 H new ATOM 0 HB3 ASN B 13 7.202 -0.571 7.076 1.00 0.00 H new ATOM 0 HD21 ASN B 13 3.853 -1.361 6.148 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.107 -1.520 7.382 1.00 0.00 H new ATOM 112 N ASN B 14 8.066 0.444 2.779 1.00 0.00 N ATOM 113 CA ASN B 14 8.201 0.052 1.383 1.00 0.00 C ATOM 114 C ASN B 14 9.661 -0.318 1.087 1.00 0.00 C ATOM 115 O ASN B 14 10.581 0.240 1.687 1.00 0.00 O ATOM 116 CB ASN B 14 7.728 1.207 0.495 1.00 0.00 C ATOM 117 CG ASN B 14 7.340 0.730 -0.899 1.00 0.00 C ATOM 118 OD1 ASN B 14 7.552 -0.426 -1.252 1.00 0.00 O ATOM 119 ND2 ASN B 14 6.769 1.623 -1.701 1.00 0.00 N ATOM 0 H ASN B 14 7.804 1.420 2.915 1.00 0.00 H new ATOM 0 HA ASN B 14 7.586 -0.823 1.175 1.00 0.00 H new ATOM 0 HB2 ASN B 14 6.874 1.697 0.962 1.00 0.00 H new ATOM 0 HB3 ASN B 14 8.520 1.952 0.416 1.00 0.00 H new ATOM 0 HD21 ASN B 14 6.491 1.356 -2.645 1.00 0.00 H new ATOM 0 HD22 ASN B 14 6.609 2.575 -1.372 1.00 0.00 H new ATOM 126 N ASP B 15 9.868 -1.256 0.159 1.00 0.00 N ATOM 127 CA ASP B 15 11.189 -1.793 -0.130 1.00 0.00 C ATOM 128 C ASP B 15 12.045 -0.880 -1.004 1.00 0.00 C ATOM 129 O ASP B 15 11.526 -0.143 -1.843 1.00 0.00 O ATOM 130 CB ASP B 15 11.071 -3.184 -0.760 1.00 0.00 C ATOM 131 CG ASP B 15 10.563 -4.233 0.230 1.00 0.00 C ATOM 132 OD1 ASP B 15 10.415 -3.896 1.427 1.00 0.00 O ATOM 133 OD2 ASP B 15 10.329 -5.377 -0.223 1.00 0.00 O ATOM 0 H ASP B 15 9.123 -1.660 -0.409 1.00 0.00 H new ATOM 0 HA ASP B 15 11.706 -1.865 0.827 1.00 0.00 H new ATOM 0 HB2 ASP B 15 10.395 -3.137 -1.614 1.00 0.00 H new ATOM 0 HB3 ASP B 15 12.045 -3.491 -1.142 1.00 0.00 H new ATOM 138 N CYS B 16 13.368 -0.940 -0.795 1.00 0.00 N ATOM 139 CA CYS B 16 14.378 -0.247 -1.592 1.00 0.00 C ATOM 140 C CYS B 16 14.213 1.277 -1.635 1.00 0.00 C ATOM 141 O CYS B 16 14.986 1.951 -2.319 1.00 0.00 O ATOM 142 CB CYS B 16 14.422 -0.843 -2.997 1.00 0.00 C ATOM 143 SG CYS B 16 14.991 -2.559 -2.897 1.00 0.00 S ATOM 0 H CYS B 16 13.773 -1.493 -0.039 1.00 0.00 H new ATOM 0 HA CYS B 16 15.333 -0.407 -1.092 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.433 -0.801 -3.454 1.00 0.00 H new ATOM 0 HB3 CYS B 16 15.091 -0.262 -3.631 1.00 0.00 H new ATOM 0 HG CYS B 16 15.029 -3.074 -4.090 1.00 0.00 H new ATOM 149 N ARG B 17 13.226 1.826 -0.925 1.00 0.00 N ATOM 150 CA ARG B 17 13.048 3.267 -0.844 1.00 0.00 C ATOM 151 C ARG B 17 13.942 3.886 0.219 1.00 0.00 C ATOM 152 O ARG B 17 14.217 3.269 1.249 1.00 0.00 O ATOM 153 CB ARG B 17 11.581 3.632 -0.600 1.00 0.00 C ATOM 154 CG ARG B 17 10.822 3.584 -1.927 1.00 0.00 C ATOM 155 CD ARG B 17 9.408 4.155 -1.785 1.00 0.00 C ATOM 156 NE ARG B 17 8.685 4.056 -3.059 1.00 0.00 N ATOM 157 CZ ARG B 17 8.716 4.993 -4.015 1.00 0.00 C ATOM 158 NH1 ARG B 17 9.410 6.117 -3.850 1.00 0.00 N ATOM 159 NH2 ARG B 17 8.049 4.803 -5.147 1.00 0.00 N ATOM 0 H ARG B 17 12.538 1.288 -0.398 1.00 0.00 H new ATOM 0 HA ARG B 17 13.345 3.682 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.135 2.938 0.113 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.510 4.628 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.370 4.149 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG B 17 10.766 2.554 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.867 3.613 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.460 5.197 -1.469 1.00 0.00 H new ATOM 0 HE ARG B 17 8.124 3.221 -3.226 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.928 6.274 -2.986 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.423 6.821 -4.588 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.515 3.945 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG B 17 8.071 5.515 -5.877 1.00 0.00 H new ATOM 173 N ILE B 18 14.387 5.114 -0.042 1.00 0.00 N ATOM 174 CA ILE B 18 15.141 5.915 0.910 1.00 0.00 C ATOM 175 C ILE B 18 14.529 7.313 0.977 1.00 0.00 C ATOM 176 O ILE B 18 13.646 7.656 0.191 1.00 0.00 O ATOM 177 CB ILE B 18 16.622 5.987 0.509 1.00 0.00 C ATOM 178 CG1 ILE B 18 16.814 6.774 -0.791 1.00 0.00 C ATOM 179 CG2 ILE B 18 17.206 4.584 0.385 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.280 7.165 -0.970 1.00 0.00 C ATOM 0 H ILE B 18 14.230 5.583 -0.934 1.00 0.00 H new ATOM 0 HA ILE B 18 15.090 5.450 1.895 1.00 0.00 H new ATOM 0 HB ILE B 18 17.158 6.520 1.295 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.486 6.172 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.192 7.669 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.256 4.651 0.100 1.00 0.00 H new ATOM 0 HG22 ILE B 18 17.122 4.069 1.342 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.658 4.028 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.397 7.723 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.596 7.785 -0.131 1.00 0.00 H new ATOM 0 HD13 ILE B 18 18.894 6.266 -1.008 1.00 0.00 H new ATOM 192 N TYR B 19 15.015 8.111 1.925 1.00 0.00 N ATOM 193 CA TYR B 19 14.532 9.460 2.172 1.00 0.00 C ATOM 194 C TYR B 19 15.598 10.540 2.033 1.00 0.00 C ATOM 195 O TYR B 19 16.778 10.300 2.289 1.00 0.00 O ATOM 196 CB TYR B 19 13.762 9.528 3.501 1.00 0.00 C ATOM 197 CG TYR B 19 13.838 10.862 4.212 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.819 11.821 4.069 1.00 0.00 C ATOM 199 CD2 TYR B 19 14.941 11.131 5.034 1.00 0.00 C ATOM 200 CE1 TYR B 19 12.905 13.044 4.755 1.00 0.00 C ATOM 201 CE2 TYR B 19 15.029 12.346 5.721 1.00 0.00 C ATOM 202 CZ TYR B 19 14.020 13.314 5.573 1.00 0.00 C ATOM 203 OH TYR B 19 14.135 14.503 6.225 1.00 0.00 O ATOM 0 H TYR B 19 15.769 7.830 2.552 1.00 0.00 H new ATOM 0 HA TYR B 19 13.828 9.692 1.372 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.715 9.293 3.310 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.146 8.755 4.167 1.00 0.00 H new ATOM 0 HD1 TYR B 19 11.971 11.617 3.432 1.00 0.00 H new ATOM 0 HD2 TYR B 19 15.726 10.397 5.137 1.00 0.00 H new ATOM 0 HE1 TYR B 19 12.117 13.776 4.655 1.00 0.00 H new ATOM 0 HE2 TYR B 19 15.873 12.541 6.366 1.00 0.00 H new ATOM 0 HH TYR B 19 13.392 15.089 5.971 1.00 0.00 H new ATOM 213 N VAL B 20 15.170 11.736 1.629 1.00 0.00 N ATOM 214 CA VAL B 20 16.045 12.882 1.453 1.00 0.00 C ATOM 215 C VAL B 20 15.376 14.130 2.012 1.00 0.00 C ATOM 216 O VAL B 20 14.165 14.291 1.868 1.00 0.00 O ATOM 217 CB VAL B 20 16.401 13.059 -0.029 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.490 14.121 -0.184 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.885 11.746 -0.645 1.00 0.00 C ATOM 0 H VAL B 20 14.193 11.933 1.414 1.00 0.00 H new ATOM 0 HA VAL B 20 16.973 12.715 2.000 1.00 0.00 H new ATOM 0 HB VAL B 20 15.499 13.376 -0.552 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.736 14.239 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL B 20 17.131 15.070 0.214 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.380 13.812 0.363 1.00 0.00 H new ATOM 0 HG21 VAL B 20 17.129 11.905 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.772 11.401 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL B 20 16.099 10.995 -0.565 1.00 0.00 H new ATOM 229 N GLY B 21 16.146 15.014 2.650 1.00 0.00 N ATOM 230 CA GLY B 21 15.580 16.192 3.288 1.00 0.00 C ATOM 231 C GLY B 21 16.564 17.355 3.302 1.00 0.00 C ATOM 232 O GLY B 21 17.734 17.198 2.949 1.00 0.00 O ATOM 0 H GLY B 21 17.159 14.932 2.735 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.673 16.490 2.762 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.291 15.948 4.310 1.00 0.00 H new ATOM 236 N ASN B 22 16.070 18.525 3.715 1.00 0.00 N ATOM 237 CA ASN B 22 16.813 19.777 3.704 1.00 0.00 C ATOM 238 C ASN B 22 17.267 20.154 2.289 1.00 0.00 C ATOM 239 O ASN B 22 18.307 20.786 2.118 1.00 0.00 O ATOM 240 CB ASN B 22 17.992 19.698 4.680 1.00 0.00 C ATOM 241 CG ASN B 22 18.566 21.081 4.957 1.00 0.00 C ATOM 242 OD1 ASN B 22 17.832 22.066 5.026 1.00 0.00 O ATOM 243 ND2 ASN B 22 19.881 21.169 5.123 1.00 0.00 N ATOM 0 H ASN B 22 15.120 18.625 4.074 1.00 0.00 H new ATOM 0 HA ASN B 22 16.148 20.574 4.038 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.665 19.242 5.615 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.768 19.054 4.266 1.00 0.00 H new ATOM 0 HD21 ASN B 22 20.311 22.074 5.314 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.460 20.332 5.059 1.00 0.00 H new ATOM 250 N LEU B 23 16.487 19.768 1.273 1.00 0.00 N ATOM 251 CA LEU B 23 16.769 20.168 -0.096 1.00 0.00 C ATOM 252 C LEU B 23 16.640 21.688 -0.218 1.00 0.00 C ATOM 253 O LEU B 23 15.845 22.300 0.497 1.00 0.00 O ATOM 254 CB LEU B 23 15.802 19.459 -1.050 1.00 0.00 C ATOM 255 CG LEU B 23 16.023 17.944 -1.045 1.00 0.00 C ATOM 256 CD1 LEU B 23 14.916 17.274 -1.858 1.00 0.00 C ATOM 257 CD2 LEU B 23 17.372 17.598 -1.676 1.00 0.00 C ATOM 0 H LEU B 23 15.660 19.181 1.380 1.00 0.00 H new ATOM 0 HA LEU B 23 17.786 19.882 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU B 23 14.775 19.679 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU B 23 15.937 19.845 -2.060 1.00 0.00 H new ATOM 0 HG LEU B 23 16.008 17.591 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU B 23 15.067 16.195 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU B 23 13.948 17.504 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU B 23 14.942 17.645 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.513 16.517 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.395 17.956 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU B 23 18.172 18.074 -1.109 1.00 0.00 H new ATOM 269 N PRO B 24 17.416 22.312 -1.117 1.00 0.00 N ATOM 270 CA PRO B 24 17.418 23.753 -1.295 1.00 0.00 C ATOM 271 C PRO B 24 16.066 24.249 -1.821 1.00 0.00 C ATOM 272 O PRO B 24 15.332 23.489 -2.454 1.00 0.00 O ATOM 273 CB PRO B 24 18.548 24.053 -2.280 1.00 0.00 C ATOM 274 CG PRO B 24 18.739 22.735 -3.036 1.00 0.00 C ATOM 275 CD PRO B 24 18.349 21.667 -2.018 1.00 0.00 C ATOM 0 HA PRO B 24 17.576 24.270 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO B 24 18.283 24.866 -2.956 1.00 0.00 H new ATOM 0 HB3 PRO B 24 19.460 24.352 -1.763 1.00 0.00 H new ATOM 0 HG2 PRO B 24 18.109 22.689 -3.924 1.00 0.00 H new ATOM 0 HG3 PRO B 24 19.769 22.612 -3.369 1.00 0.00 H new ATOM 0 HD2 PRO B 24 17.891 20.807 -2.507 1.00 0.00 H new ATOM 0 HD3 PRO B 24 19.223 21.300 -1.480 1.00 0.00 H new ATOM 283 N PRO B 25 15.728 25.522 -1.570 1.00 0.00 N ATOM 284 CA PRO B 25 14.475 26.138 -1.993 1.00 0.00 C ATOM 285 C PRO B 25 14.314 26.194 -3.516 1.00 0.00 C ATOM 286 O PRO B 25 13.274 26.635 -4.004 1.00 0.00 O ATOM 287 CB PRO B 25 14.490 27.554 -1.411 1.00 0.00 C ATOM 288 CG PRO B 25 15.568 27.533 -0.327 1.00 0.00 C ATOM 289 CD PRO B 25 16.536 26.454 -0.804 1.00 0.00 C ATOM 0 HA PRO B 25 13.634 25.544 -1.636 1.00 0.00 H new ATOM 0 HB2 PRO B 25 14.719 28.293 -2.179 1.00 0.00 H new ATOM 0 HB3 PRO B 25 13.518 27.818 -0.994 1.00 0.00 H new ATOM 0 HG2 PRO B 25 16.061 28.501 -0.233 1.00 0.00 H new ATOM 0 HG3 PRO B 25 15.149 27.292 0.650 1.00 0.00 H new ATOM 0 HD2 PRO B 25 17.330 26.881 -1.417 1.00 0.00 H new ATOM 0 HD3 PRO B 25 17.016 25.957 0.039 1.00 0.00 H new ATOM 297 N ASP B 26 15.326 25.753 -4.266 1.00 0.00 N ATOM 298 CA ASP B 26 15.316 25.825 -5.719 1.00 0.00 C ATOM 299 C ASP B 26 15.840 24.503 -6.291 1.00 0.00 C ATOM 300 O ASP B 26 16.445 24.478 -7.364 1.00 0.00 O ATOM 301 CB ASP B 26 16.171 27.016 -6.167 1.00 0.00 C ATOM 302 CG ASP B 26 16.016 27.314 -7.658 1.00 0.00 C ATOM 303 OD1 ASP B 26 15.009 26.859 -8.244 1.00 0.00 O ATOM 304 OD2 ASP B 26 16.915 27.995 -8.200 1.00 0.00 O ATOM 0 H ASP B 26 16.173 25.337 -3.878 1.00 0.00 H new ATOM 0 HA ASP B 26 14.303 25.976 -6.092 1.00 0.00 H new ATOM 0 HB2 ASP B 26 15.891 27.898 -5.592 1.00 0.00 H new ATOM 0 HB3 ASP B 26 17.219 26.811 -5.947 1.00 0.00 H new ATOM 309 N ILE B 27 15.610 23.400 -5.571 1.00 0.00 N ATOM 310 CA ILE B 27 16.013 22.079 -6.027 1.00 0.00 C ATOM 311 C ILE B 27 15.296 21.746 -7.335 1.00 0.00 C ATOM 312 O ILE B 27 14.102 22.012 -7.475 1.00 0.00 O ATOM 313 CB ILE B 27 15.725 21.041 -4.929 1.00 0.00 C ATOM 314 CG1 ILE B 27 16.086 19.623 -5.386 1.00 0.00 C ATOM 315 CG2 ILE B 27 14.246 21.044 -4.535 1.00 0.00 C ATOM 316 CD1 ILE B 27 17.587 19.496 -5.651 1.00 0.00 C ATOM 0 H ILE B 27 15.143 23.404 -4.664 1.00 0.00 H new ATOM 0 HA ILE B 27 17.085 22.061 -6.224 1.00 0.00 H new ATOM 0 HB ILE B 27 16.341 21.322 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE B 27 15.786 18.904 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE B 27 15.531 19.377 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE B 27 14.075 20.300 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE B 27 13.971 22.030 -4.160 1.00 0.00 H new ATOM 0 HG23 ILE B 27 13.637 20.804 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE B 27 17.815 18.480 -5.974 1.00 0.00 H new ATOM 0 HD12 ILE B 27 17.879 20.199 -6.431 1.00 0.00 H new ATOM 0 HD13 ILE B 27 18.138 19.719 -4.737 1.00 0.00 H new ATOM 328 N ARG B 28 16.020 21.165 -8.298 1.00 0.00 N ATOM 329 CA ARG B 28 15.442 20.796 -9.583 1.00 0.00 C ATOM 330 C ARG B 28 15.067 19.318 -9.576 1.00 0.00 C ATOM 331 O ARG B 28 15.660 18.527 -8.843 1.00 0.00 O ATOM 332 CB ARG B 28 16.435 21.091 -10.711 1.00 0.00 C ATOM 333 CG ARG B 28 16.884 22.554 -10.674 1.00 0.00 C ATOM 334 CD ARG B 28 17.840 22.832 -11.833 1.00 0.00 C ATOM 335 NE ARG B 28 19.037 21.985 -11.754 1.00 0.00 N ATOM 336 CZ ARG B 28 20.218 22.294 -12.295 1.00 0.00 C ATOM 337 NH1 ARG B 28 20.388 23.431 -12.965 1.00 0.00 N ATOM 338 NH2 ARG B 28 21.236 21.451 -12.162 1.00 0.00 N ATOM 0 H ARG B 28 17.011 20.942 -8.205 1.00 0.00 H new ATOM 0 HA ARG B 28 14.541 21.386 -9.752 1.00 0.00 H new ATOM 0 HB2 ARG B 28 17.302 20.438 -10.618 1.00 0.00 H new ATOM 0 HB3 ARG B 28 15.973 20.872 -11.674 1.00 0.00 H new ATOM 0 HG2 ARG B 28 16.017 23.212 -10.740 1.00 0.00 H new ATOM 0 HG3 ARG B 28 17.376 22.769 -9.725 1.00 0.00 H new ATOM 0 HD2 ARG B 28 17.329 22.655 -12.779 1.00 0.00 H new ATOM 0 HD3 ARG B 28 18.134 23.882 -11.821 1.00 0.00 H new ATOM 0 HE ARG B 28 18.961 21.100 -11.252 1.00 0.00 H new ATOM 0 HH11 ARG B 28 19.610 24.082 -13.071 1.00 0.00 H new ATOM 0 HH12 ARG B 28 21.297 23.652 -13.372 1.00 0.00 H new ATOM 0 HH21 ARG B 28 21.111 20.577 -11.651 1.00 0.00 H new ATOM 0 HH22 ARG B 28 22.142 21.677 -12.571 1.00 0.00 H new ATOM 352 N THR B 29 14.087 18.941 -10.398 1.00 0.00 N ATOM 353 CA THR B 29 13.684 17.547 -10.521 1.00 0.00 C ATOM 354 C THR B 29 14.749 16.677 -11.180 1.00 0.00 C ATOM 355 O THR B 29 14.754 15.458 -11.002 1.00 0.00 O ATOM 356 CB THR B 29 12.332 17.426 -11.234 1.00 0.00 C ATOM 357 OG1 THR B 29 12.536 17.398 -12.627 1.00 0.00 O ATOM 358 CG2 THR B 29 11.402 18.591 -10.887 1.00 0.00 C ATOM 0 H THR B 29 13.560 19.585 -10.987 1.00 0.00 H new ATOM 0 HA THR B 29 13.568 17.163 -9.507 1.00 0.00 H new ATOM 0 HB THR B 29 11.860 16.502 -10.899 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.672 17.319 -13.083 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.454 18.469 -11.412 1.00 0.00 H new ATOM 0 HG22 THR B 29 11.222 18.605 -9.812 1.00 0.00 H new ATOM 0 HG23 THR B 29 11.866 19.530 -11.190 1.00 0.00 H new ATOM 366 N LYS B 30 15.653 17.301 -11.943 1.00 0.00 N ATOM 367 CA LYS B 30 16.714 16.594 -12.647 1.00 0.00 C ATOM 368 C LYS B 30 17.893 16.304 -11.719 1.00 0.00 C ATOM 369 O LYS B 30 18.632 15.347 -11.939 1.00 0.00 O ATOM 370 CB LYS B 30 17.158 17.440 -13.850 1.00 0.00 C ATOM 371 CG LYS B 30 18.276 16.761 -14.654 1.00 0.00 C ATOM 372 CD LYS B 30 17.791 15.434 -15.246 1.00 0.00 C ATOM 373 CE LYS B 30 18.956 14.718 -15.929 1.00 0.00 C ATOM 374 NZ LYS B 30 18.501 13.460 -16.553 1.00 0.00 N ATOM 0 H LYS B 30 15.665 18.311 -12.086 1.00 0.00 H new ATOM 0 HA LYS B 30 16.337 15.633 -12.996 1.00 0.00 H new ATOM 0 HB2 LYS B 30 16.303 17.620 -14.501 1.00 0.00 H new ATOM 0 HB3 LYS B 30 17.503 18.413 -13.500 1.00 0.00 H new ATOM 0 HG2 LYS B 30 18.607 17.422 -15.455 1.00 0.00 H new ATOM 0 HG3 LYS B 30 19.137 16.584 -14.010 1.00 0.00 H new ATOM 0 HD2 LYS B 30 17.375 14.804 -14.459 1.00 0.00 H new ATOM 0 HD3 LYS B 30 16.992 15.616 -15.965 1.00 0.00 H new ATOM 0 HE2 LYS B 30 19.395 15.368 -16.686 1.00 0.00 H new ATOM 0 HE3 LYS B 30 19.737 14.506 -15.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 19.275 12.765 -16.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 17.688 13.084 -16.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 18.219 13.643 -17.537 1.00 0.00 H new ATOM 388 N ASP B 31 18.077 17.122 -10.679 1.00 0.00 N ATOM 389 CA ASP B 31 19.207 16.966 -9.775 1.00 0.00 C ATOM 390 C ASP B 31 19.150 15.648 -9.006 1.00 0.00 C ATOM 391 O ASP B 31 20.186 15.086 -8.647 1.00 0.00 O ATOM 392 CB ASP B 31 19.260 18.145 -8.800 1.00 0.00 C ATOM 393 CG ASP B 31 19.563 19.470 -9.495 1.00 0.00 C ATOM 394 OD1 ASP B 31 19.893 19.436 -10.703 1.00 0.00 O ATOM 395 OD2 ASP B 31 19.462 20.510 -8.808 1.00 0.00 O ATOM 0 H ASP B 31 17.455 17.897 -10.447 1.00 0.00 H new ATOM 0 HA ASP B 31 20.114 16.949 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP B 31 18.306 18.223 -8.278 1.00 0.00 H new ATOM 0 HB3 ASP B 31 20.022 17.953 -8.045 1.00 0.00 H new ATOM 400 N ILE B 32 17.934 15.155 -8.757 1.00 0.00 N ATOM 401 CA ILE B 32 17.739 13.917 -8.018 1.00 0.00 C ATOM 402 C ILE B 32 18.091 12.716 -8.898 1.00 0.00 C ATOM 403 O ILE B 32 18.373 11.637 -8.383 1.00 0.00 O ATOM 404 CB ILE B 32 16.286 13.836 -7.524 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.809 15.160 -6.910 1.00 0.00 C ATOM 406 CG2 ILE B 32 16.148 12.703 -6.503 1.00 0.00 C ATOM 407 CD1 ILE B 32 16.667 15.589 -5.716 1.00 0.00 C ATOM 0 H ILE B 32 17.069 15.602 -9.061 1.00 0.00 H new ATOM 0 HA ILE B 32 18.400 13.902 -7.152 1.00 0.00 H new ATOM 0 HB ILE B 32 15.654 13.633 -8.389 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.833 15.940 -7.671 1.00 0.00 H new ATOM 0 HG13 ILE B 32 14.772 15.057 -6.591 1.00 0.00 H new ATOM 0 HG21 ILE B 32 15.116 12.650 -6.156 1.00 0.00 H new ATOM 0 HG22 ILE B 32 16.423 11.757 -6.970 1.00 0.00 H new ATOM 0 HG23 ILE B 32 16.806 12.895 -5.656 1.00 0.00 H new ATOM 0 HD11 ILE B 32 16.290 16.531 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE B 32 16.623 14.823 -4.942 1.00 0.00 H new ATOM 0 HD13 ILE B 32 17.700 15.719 -6.038 1.00 0.00 H new ATOM 419 N GLU B 33 18.079 12.895 -10.221 1.00 0.00 N ATOM 420 CA GLU B 33 18.407 11.819 -11.141 1.00 0.00 C ATOM 421 C GLU B 33 19.919 11.637 -11.209 1.00 0.00 C ATOM 422 O GLU B 33 20.408 10.522 -11.095 1.00 0.00 O ATOM 423 CB GLU B 33 17.860 12.126 -12.539 1.00 0.00 C ATOM 424 CG GLU B 33 16.339 12.273 -12.513 1.00 0.00 C ATOM 425 CD GLU B 33 15.758 12.374 -13.925 1.00 0.00 C ATOM 426 OE1 GLU B 33 16.560 12.379 -14.886 1.00 0.00 O ATOM 427 OE2 GLU B 33 14.513 12.444 -14.028 1.00 0.00 O ATOM 0 H GLU B 33 17.844 13.779 -10.673 1.00 0.00 H new ATOM 0 HA GLU B 33 17.949 10.899 -10.778 1.00 0.00 H new ATOM 0 HB2 GLU B 33 18.311 13.044 -12.916 1.00 0.00 H new ATOM 0 HB3 GLU B 33 18.140 11.328 -13.226 1.00 0.00 H new ATOM 0 HG2 GLU B 33 15.899 11.419 -11.998 1.00 0.00 H new ATOM 0 HG3 GLU B 33 16.069 13.162 -11.943 1.00 0.00 H new ATOM 434 N ASP B 34 20.659 12.732 -11.393 1.00 0.00 N ATOM 435 CA ASP B 34 22.100 12.651 -11.594 1.00 0.00 C ATOM 436 C ASP B 34 22.842 12.136 -10.366 1.00 0.00 C ATOM 437 O ASP B 34 23.725 11.286 -10.484 1.00 0.00 O ATOM 438 CB ASP B 34 22.644 14.011 -12.037 1.00 0.00 C ATOM 439 CG ASP B 34 22.198 14.387 -13.451 1.00 0.00 C ATOM 440 OD1 ASP B 34 22.512 15.530 -13.854 1.00 0.00 O ATOM 441 OD2 ASP B 34 21.555 13.542 -14.113 1.00 0.00 O ATOM 0 H ASP B 34 20.283 13.680 -11.406 1.00 0.00 H new ATOM 0 HA ASP B 34 22.277 11.920 -12.383 1.00 0.00 H new ATOM 0 HB2 ASP B 34 22.310 14.778 -11.338 1.00 0.00 H new ATOM 0 HB3 ASP B 34 23.733 13.994 -11.995 1.00 0.00 H new ATOM 446 N VAL B 35 22.489 12.644 -9.182 1.00 0.00 N ATOM 447 CA VAL B 35 23.186 12.268 -7.959 1.00 0.00 C ATOM 448 C VAL B 35 22.867 10.820 -7.606 1.00 0.00 C ATOM 449 O VAL B 35 23.772 10.011 -7.405 1.00 0.00 O ATOM 450 CB VAL B 35 22.776 13.214 -6.823 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.431 12.778 -5.511 1.00 0.00 C ATOM 452 CG2 VAL B 35 23.215 14.644 -7.144 1.00 0.00 C ATOM 0 H VAL B 35 21.729 13.312 -9.049 1.00 0.00 H new ATOM 0 HA VAL B 35 24.262 12.353 -8.109 1.00 0.00 H new ATOM 0 HB VAL B 35 21.691 13.178 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.133 13.457 -4.712 1.00 0.00 H new ATOM 0 HG12 VAL B 35 23.113 11.765 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.515 12.801 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.919 15.307 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL B 35 24.298 14.675 -7.261 1.00 0.00 H new ATOM 0 HG23 VAL B 35 22.741 14.971 -8.070 1.00 0.00 H new ATOM 462 N PHE B 36 21.580 10.484 -7.530 1.00 0.00 N ATOM 463 CA PHE B 36 21.194 9.155 -7.088 1.00 0.00 C ATOM 464 C PHE B 36 21.413 8.074 -8.143 1.00 0.00 C ATOM 465 O PHE B 36 21.570 6.904 -7.797 1.00 0.00 O ATOM 466 CB PHE B 36 19.774 9.168 -6.515 1.00 0.00 C ATOM 467 CG PHE B 36 19.695 9.881 -5.184 1.00 0.00 C ATOM 468 CD1 PHE B 36 20.028 9.209 -3.999 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.299 11.226 -5.135 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.975 9.884 -2.769 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.252 11.902 -3.909 1.00 0.00 C ATOM 472 CZ PHE B 36 19.591 11.231 -2.726 1.00 0.00 C ATOM 0 H PHE B 36 20.804 11.103 -7.765 1.00 0.00 H new ATOM 0 HA PHE B 36 21.869 8.875 -6.279 1.00 0.00 H new ATOM 0 HB2 PHE B 36 19.104 9.653 -7.224 1.00 0.00 H new ATOM 0 HB3 PHE B 36 19.424 8.143 -6.396 1.00 0.00 H new ATOM 0 HD1 PHE B 36 20.325 8.171 -4.033 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.030 11.742 -6.045 1.00 0.00 H new ATOM 0 HE1 PHE B 36 20.230 9.365 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE B 36 18.955 12.940 -3.875 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.556 11.752 -1.781 1.00 0.00 H new ATOM 482 N SER B 37 21.437 8.447 -9.432 1.00 0.00 N ATOM 483 CA SER B 37 21.787 7.501 -10.484 1.00 0.00 C ATOM 484 C SER B 37 23.266 7.131 -10.385 1.00 0.00 C ATOM 485 O SER B 37 23.650 6.010 -10.716 1.00 0.00 O ATOM 486 CB SER B 37 21.481 8.091 -11.856 1.00 0.00 C ATOM 487 OG SER B 37 21.875 7.191 -12.873 1.00 0.00 O ATOM 0 H SER B 37 21.220 9.388 -9.761 1.00 0.00 H new ATOM 0 HA SER B 37 21.188 6.599 -10.355 1.00 0.00 H new ATOM 0 HB2 SER B 37 20.415 8.302 -11.940 1.00 0.00 H new ATOM 0 HB3 SER B 37 22.004 9.040 -11.977 1.00 0.00 H new ATOM 0 HG SER B 37 21.673 7.579 -13.750 1.00 0.00 H new ATOM 493 N LYS B 38 24.106 8.069 -9.924 1.00 0.00 N ATOM 494 CA LYS B 38 25.510 7.772 -9.685 1.00 0.00 C ATOM 495 C LYS B 38 25.643 6.809 -8.505 1.00 0.00 C ATOM 496 O LYS B 38 26.571 6.004 -8.461 1.00 0.00 O ATOM 497 CB LYS B 38 26.270 9.080 -9.437 1.00 0.00 C ATOM 498 CG LYS B 38 27.753 8.839 -9.130 1.00 0.00 C ATOM 499 CD LYS B 38 28.452 8.136 -10.296 1.00 0.00 C ATOM 500 CE LYS B 38 29.943 7.998 -9.978 1.00 0.00 C ATOM 501 NZ LYS B 38 30.660 7.339 -11.086 1.00 0.00 N ATOM 0 H LYS B 38 23.833 9.029 -9.713 1.00 0.00 H new ATOM 0 HA LYS B 38 25.944 7.286 -10.559 1.00 0.00 H new ATOM 0 HB2 LYS B 38 26.182 9.721 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS B 38 25.810 9.613 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS B 38 28.245 9.791 -8.928 1.00 0.00 H new ATOM 0 HG3 LYS B 38 27.847 8.234 -8.228 1.00 0.00 H new ATOM 0 HD2 LYS B 38 28.011 7.153 -10.461 1.00 0.00 H new ATOM 0 HD3 LYS B 38 28.315 8.706 -11.215 1.00 0.00 H new ATOM 0 HE2 LYS B 38 30.373 8.983 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS B 38 30.072 7.421 -9.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 31.669 7.257 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 30.263 6.390 -11.241 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 30.555 7.904 -11.953 1.00 0.00 H new ATOM 515 N TYR B 39 24.713 6.887 -7.545 1.00 0.00 N ATOM 516 CA TYR B 39 24.676 5.944 -6.437 1.00 0.00 C ATOM 517 C TYR B 39 24.153 4.548 -6.779 1.00 0.00 C ATOM 518 O TYR B 39 24.426 3.598 -6.047 1.00 0.00 O ATOM 519 CB TYR B 39 23.961 6.549 -5.228 1.00 0.00 C ATOM 520 CG TYR B 39 24.840 7.485 -4.431 1.00 0.00 C ATOM 521 CD1 TYR B 39 24.668 8.875 -4.530 1.00 0.00 C ATOM 522 CD2 TYR B 39 25.833 6.957 -3.592 1.00 0.00 C ATOM 523 CE1 TYR B 39 25.511 9.739 -3.817 1.00 0.00 C ATOM 524 CE2 TYR B 39 26.682 7.816 -2.879 1.00 0.00 C ATOM 525 CZ TYR B 39 26.525 9.211 -2.992 1.00 0.00 C ATOM 526 OH TYR B 39 27.355 10.050 -2.309 1.00 0.00 O ATOM 0 H TYR B 39 23.980 7.595 -7.519 1.00 0.00 H new ATOM 0 HA TYR B 39 25.720 5.770 -6.178 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.078 7.090 -5.568 1.00 0.00 H new ATOM 0 HB3 TYR B 39 23.613 5.746 -4.579 1.00 0.00 H new ATOM 0 HD1 TYR B 39 23.886 9.279 -5.156 1.00 0.00 H new ATOM 0 HD2 TYR B 39 25.944 5.887 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR B 39 25.384 10.808 -3.900 1.00 0.00 H new ATOM 0 HE2 TYR B 39 27.455 7.408 -2.244 1.00 0.00 H new ATOM 0 HH TYR B 39 27.996 9.523 -1.787 1.00 0.00 H new ATOM 536 N GLY B 40 23.407 4.410 -7.881 1.00 0.00 N ATOM 537 CA GLY B 40 22.926 3.109 -8.326 1.00 0.00 C ATOM 538 C GLY B 40 21.727 3.237 -9.265 1.00 0.00 C ATOM 539 O GLY B 40 21.299 4.342 -9.593 1.00 0.00 O ATOM 0 H GLY B 40 23.126 5.188 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.731 2.579 -8.835 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.647 2.509 -7.460 1.00 0.00 H new ATOM 543 N ALA B 41 21.185 2.094 -9.697 1.00 0.00 N ATOM 544 CA ALA B 41 20.057 2.066 -10.614 1.00 0.00 C ATOM 545 C ALA B 41 18.771 2.464 -9.888 1.00 0.00 C ATOM 546 O ALA B 41 18.382 1.830 -8.909 1.00 0.00 O ATOM 547 CB ALA B 41 19.933 0.669 -11.216 1.00 0.00 C ATOM 0 H ALA B 41 21.518 1.171 -9.419 1.00 0.00 H new ATOM 0 HA ALA B 41 20.222 2.784 -11.417 1.00 0.00 H new ATOM 0 HB1 ALA B 41 19.088 0.643 -11.904 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.848 0.422 -11.755 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.774 -0.058 -10.419 1.00 0.00 H new ATOM 553 N ILE B 42 18.109 3.514 -10.381 1.00 0.00 N ATOM 554 CA ILE B 42 16.889 4.033 -9.781 1.00 0.00 C ATOM 555 C ILE B 42 15.649 3.405 -10.418 1.00 0.00 C ATOM 556 O ILE B 42 15.600 3.210 -11.635 1.00 0.00 O ATOM 557 CB ILE B 42 16.862 5.560 -9.942 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.992 6.187 -9.112 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.510 6.122 -9.498 1.00 0.00 C ATOM 560 CD1 ILE B 42 18.033 7.703 -9.303 1.00 0.00 C ATOM 0 H ILE B 42 18.410 4.026 -11.210 1.00 0.00 H new ATOM 0 HA ILE B 42 16.878 3.776 -8.722 1.00 0.00 H new ATOM 0 HB ILE B 42 17.009 5.806 -10.994 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.847 5.953 -8.057 1.00 0.00 H new ATOM 0 HG13 ILE B 42 18.948 5.753 -9.406 1.00 0.00 H new ATOM 0 HG21 ILE B 42 15.509 7.205 -9.619 1.00 0.00 H new ATOM 0 HG22 ILE B 42 14.718 5.688 -10.108 1.00 0.00 H new ATOM 0 HG23 ILE B 42 15.339 5.874 -8.451 1.00 0.00 H new ATOM 0 HD11 ILE B 42 18.842 8.123 -8.705 1.00 0.00 H new ATOM 0 HD12 ILE B 42 18.203 7.933 -10.355 1.00 0.00 H new ATOM 0 HD13 ILE B 42 17.084 8.136 -8.986 1.00 0.00 H new ATOM 572 N ARG B 43 14.644 3.091 -9.595 1.00 0.00 N ATOM 573 CA ARG B 43 13.327 2.682 -10.067 1.00 0.00 C ATOM 574 C ARG B 43 12.391 3.886 -10.139 1.00 0.00 C ATOM 575 O ARG B 43 11.585 3.984 -11.062 1.00 0.00 O ATOM 576 CB ARG B 43 12.706 1.669 -9.102 1.00 0.00 C ATOM 577 CG ARG B 43 13.407 0.313 -9.131 1.00 0.00 C ATOM 578 CD ARG B 43 12.606 -0.606 -8.210 1.00 0.00 C ATOM 579 NE ARG B 43 13.152 -1.964 -8.169 1.00 0.00 N ATOM 580 CZ ARG B 43 12.915 -2.817 -7.172 1.00 0.00 C ATOM 581 NH1 ARG B 43 12.141 -2.464 -6.147 1.00 0.00 N ATOM 582 NH2 ARG B 43 13.452 -4.036 -7.199 1.00 0.00 N ATOM 0 H ARG B 43 14.726 3.115 -8.579 1.00 0.00 H new ATOM 0 HA ARG B 43 13.452 2.238 -11.055 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.743 2.070 -8.089 1.00 0.00 H new ATOM 0 HB3 ARG B 43 11.654 1.534 -9.353 1.00 0.00 H new ATOM 0 HG2 ARG B 43 13.440 -0.086 -10.145 1.00 0.00 H new ATOM 0 HG3 ARG B 43 14.438 0.402 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG B 43 12.597 -0.190 -7.203 1.00 0.00 H new ATOM 0 HD3 ARG B 43 11.571 -0.643 -8.548 1.00 0.00 H new ATOM 0 HE ARG B 43 13.743 -2.273 -8.941 1.00 0.00 H new ATOM 0 HH11 ARG B 43 11.723 -1.534 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG B 43 11.966 -3.124 -5.389 1.00 0.00 H new ATOM 0 HH21 ARG B 43 14.043 -4.316 -7.982 1.00 0.00 H new ATOM 0 HH22 ARG B 43 13.272 -4.690 -6.437 1.00 0.00 H new ATOM 596 N ASP B 44 12.495 4.798 -9.167 1.00 0.00 N ATOM 597 CA ASP B 44 11.558 5.906 -9.062 1.00 0.00 C ATOM 598 C ASP B 44 12.180 7.084 -8.309 1.00 0.00 C ATOM 599 O ASP B 44 13.113 6.908 -7.529 1.00 0.00 O ATOM 600 CB ASP B 44 10.316 5.421 -8.310 1.00 0.00 C ATOM 601 CG ASP B 44 9.193 6.457 -8.310 1.00 0.00 C ATOM 602 OD1 ASP B 44 9.130 7.245 -9.282 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.409 6.448 -7.334 1.00 0.00 O ATOM 0 H ASP B 44 13.218 4.786 -8.447 1.00 0.00 H new ATOM 0 HA ASP B 44 11.295 6.245 -10.064 1.00 0.00 H new ATOM 0 HB2 ASP B 44 9.956 4.499 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP B 44 10.587 5.183 -7.281 1.00 0.00 H new ATOM 608 N ILE B 45 11.645 8.280 -8.555 1.00 0.00 N ATOM 609 CA ILE B 45 12.029 9.506 -7.867 1.00 0.00 C ATOM 610 C ILE B 45 10.769 10.248 -7.444 1.00 0.00 C ATOM 611 O ILE B 45 9.770 10.248 -8.166 1.00 0.00 O ATOM 612 CB ILE B 45 12.927 10.359 -8.776 1.00 0.00 C ATOM 613 CG1 ILE B 45 14.387 10.033 -8.461 1.00 0.00 C ATOM 614 CG2 ILE B 45 12.692 11.862 -8.580 1.00 0.00 C ATOM 615 CD1 ILE B 45 15.297 10.478 -9.605 1.00 0.00 C ATOM 0 H ILE B 45 10.917 8.423 -9.254 1.00 0.00 H new ATOM 0 HA ILE B 45 12.606 9.276 -6.971 1.00 0.00 H new ATOM 0 HB ILE B 45 12.684 10.122 -9.812 1.00 0.00 H new ATOM 0 HG12 ILE B 45 14.685 10.530 -7.538 1.00 0.00 H new ATOM 0 HG13 ILE B 45 14.498 8.961 -8.296 1.00 0.00 H new ATOM 0 HG21 ILE B 45 13.350 12.423 -9.244 1.00 0.00 H new ATOM 0 HG22 ILE B 45 11.654 12.101 -8.811 1.00 0.00 H new ATOM 0 HG23 ILE B 45 12.905 12.132 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE B 45 16.332 10.237 -9.362 1.00 0.00 H new ATOM 0 HD12 ILE B 45 15.010 9.961 -10.521 1.00 0.00 H new ATOM 0 HD13 ILE B 45 15.199 11.554 -9.750 1.00 0.00 H new ATOM 627 N ASP B 46 10.812 10.881 -6.271 1.00 0.00 N ATOM 628 CA ASP B 46 9.644 11.526 -5.706 1.00 0.00 C ATOM 629 C ASP B 46 10.017 12.799 -4.951 1.00 0.00 C ATOM 630 O ASP B 46 9.846 12.880 -3.735 1.00 0.00 O ATOM 631 CB ASP B 46 8.920 10.527 -4.812 1.00 0.00 C ATOM 632 CG ASP B 46 7.658 11.117 -4.186 1.00 0.00 C ATOM 633 OD1 ASP B 46 7.227 10.564 -3.149 1.00 0.00 O ATOM 634 OD2 ASP B 46 7.134 12.109 -4.741 1.00 0.00 O ATOM 0 H ASP B 46 11.652 10.956 -5.697 1.00 0.00 H new ATOM 0 HA ASP B 46 8.976 11.836 -6.509 1.00 0.00 H new ATOM 0 HB2 ASP B 46 8.655 9.646 -5.396 1.00 0.00 H new ATOM 0 HB3 ASP B 46 9.594 10.195 -4.022 1.00 0.00 H new ATOM 639 N LEU B 47 10.531 13.802 -5.673 1.00 0.00 N ATOM 640 CA LEU B 47 10.699 15.131 -5.100 1.00 0.00 C ATOM 641 C LEU B 47 9.331 15.625 -4.630 1.00 0.00 C ATOM 642 O LEU B 47 8.342 15.491 -5.356 1.00 0.00 O ATOM 643 CB LEU B 47 11.324 16.060 -6.142 1.00 0.00 C ATOM 644 CG LEU B 47 11.390 17.507 -5.648 1.00 0.00 C ATOM 645 CD1 LEU B 47 12.313 17.624 -4.436 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.932 18.396 -6.763 1.00 0.00 C ATOM 0 H LEU B 47 10.833 13.715 -6.643 1.00 0.00 H new ATOM 0 HA LEU B 47 11.372 15.110 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU B 47 12.329 15.712 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU B 47 10.742 16.017 -7.063 1.00 0.00 H new ATOM 0 HG LEU B 47 10.386 17.821 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU B 47 12.345 18.661 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.937 16.994 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU B 47 13.317 17.300 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.980 19.428 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.930 18.060 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU B 47 11.273 18.336 -7.629 1.00 0.00 H new ATOM 658 N LYS B 48 9.262 16.194 -3.422 1.00 0.00 N ATOM 659 CA LYS B 48 7.983 16.478 -2.783 1.00 0.00 C ATOM 660 C LYS B 48 8.034 17.793 -2.000 1.00 0.00 C ATOM 661 O LYS B 48 9.110 18.320 -1.722 1.00 0.00 O ATOM 662 CB LYS B 48 7.632 15.282 -1.892 1.00 0.00 C ATOM 663 CG LYS B 48 6.189 15.332 -1.396 1.00 0.00 C ATOM 664 CD LYS B 48 5.816 13.959 -0.835 1.00 0.00 C ATOM 665 CE LYS B 48 4.398 13.972 -0.268 1.00 0.00 C ATOM 666 NZ LYS B 48 3.403 14.282 -1.310 1.00 0.00 N ATOM 0 H LYS B 48 10.077 16.465 -2.872 1.00 0.00 H new ATOM 0 HA LYS B 48 7.203 16.612 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.791 14.358 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS B 48 8.307 15.259 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS B 48 6.080 16.097 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.518 15.602 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS B 48 5.891 13.207 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS B 48 6.522 13.676 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.173 13.002 0.174 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.331 14.710 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 2.446 14.200 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.552 15.252 -1.655 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 3.508 13.614 -2.100 1.00 0.00 H new ATOM 680 N ASN B 49 6.857 18.319 -1.650 1.00 0.00 N ATOM 681 CA ASN B 49 6.718 19.625 -1.031 1.00 0.00 C ATOM 682 C ASN B 49 5.604 19.609 0.025 1.00 0.00 C ATOM 683 O ASN B 49 5.278 18.551 0.562 1.00 0.00 O ATOM 684 CB ASN B 49 6.453 20.664 -2.130 1.00 0.00 C ATOM 685 CG ASN B 49 5.201 20.361 -2.949 1.00 0.00 C ATOM 686 OD1 ASN B 49 4.512 19.373 -2.709 1.00 0.00 O ATOM 687 ND2 ASN B 49 4.904 21.214 -3.923 1.00 0.00 N ATOM 0 H ASN B 49 5.969 17.839 -1.793 1.00 0.00 H new ATOM 0 HA ASN B 49 7.638 19.892 -0.511 1.00 0.00 H new ATOM 0 HB2 ASN B 49 6.353 21.649 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN B 49 7.314 20.707 -2.796 1.00 0.00 H new ATOM 0 HD21 ASN B 49 4.079 21.059 -4.502 1.00 0.00 H new ATOM 0 HD22 ASN B 49 5.501 22.024 -4.092 1.00 0.00 H new ATOM 694 N ARG B 50 5.031 20.784 0.312 1.00 0.00 N ATOM 695 CA ARG B 50 4.064 21.001 1.386 1.00 0.00 C ATOM 696 C ARG B 50 4.682 20.742 2.762 1.00 0.00 C ATOM 697 O ARG B 50 5.832 20.314 2.863 1.00 0.00 O ATOM 698 CB ARG B 50 2.789 20.179 1.153 1.00 0.00 C ATOM 699 CG ARG B 50 2.182 20.512 -0.212 1.00 0.00 C ATOM 700 CD ARG B 50 0.745 19.989 -0.296 1.00 0.00 C ATOM 701 NE ARG B 50 0.689 18.531 -0.138 1.00 0.00 N ATOM 702 CZ ARG B 50 -0.411 17.810 -0.375 1.00 0.00 C ATOM 703 NH1 ARG B 50 -1.531 18.397 -0.781 1.00 0.00 N ATOM 704 NH2 ARG B 50 -0.402 16.492 -0.209 1.00 0.00 N ATOM 0 H ARG B 50 5.236 21.633 -0.215 1.00 0.00 H new ATOM 0 HA ARG B 50 3.775 22.052 1.371 1.00 0.00 H new ATOM 0 HB2 ARG B 50 3.020 19.115 1.206 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.065 20.388 1.941 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.194 21.591 -0.369 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.785 20.068 -1.004 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.139 20.463 0.477 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.311 20.268 -1.256 1.00 0.00 H new ATOM 0 HE ARG B 50 1.531 18.044 0.168 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -1.557 19.408 -0.915 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -2.365 17.837 -0.959 1.00 0.00 H new ATOM 0 HH21 ARG B 50 0.449 16.023 0.102 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -1.246 15.949 -0.392 1.00 0.00 H new ATOM 718 N ARG B 51 3.901 21.009 3.816 1.00 0.00 N ATOM 719 CA ARG B 51 4.357 21.026 5.207 1.00 0.00 C ATOM 720 C ARG B 51 5.430 22.102 5.415 1.00 0.00 C ATOM 721 O ARG B 51 6.067 22.548 4.463 1.00 0.00 O ATOM 722 CB ARG B 51 4.819 19.623 5.628 1.00 0.00 C ATOM 723 CG ARG B 51 5.109 19.566 7.131 1.00 0.00 C ATOM 724 CD ARG B 51 5.430 18.137 7.559 1.00 0.00 C ATOM 725 NE ARG B 51 5.649 18.061 9.007 1.00 0.00 N ATOM 726 CZ ARG B 51 5.343 17.003 9.763 1.00 0.00 C ATOM 727 NH1 ARG B 51 4.851 15.893 9.217 1.00 0.00 N ATOM 728 NH2 ARG B 51 5.529 17.055 11.077 1.00 0.00 N ATOM 0 H ARG B 51 2.909 21.225 3.720 1.00 0.00 H new ATOM 0 HA ARG B 51 3.526 21.296 5.859 1.00 0.00 H new ATOM 0 HB2 ARG B 51 4.051 18.892 5.375 1.00 0.00 H new ATOM 0 HB3 ARG B 51 5.715 19.349 5.071 1.00 0.00 H new ATOM 0 HG2 ARG B 51 5.947 20.221 7.371 1.00 0.00 H new ATOM 0 HG3 ARG B 51 4.247 19.934 7.688 1.00 0.00 H new ATOM 0 HD2 ARG B 51 4.611 17.476 7.276 1.00 0.00 H new ATOM 0 HD3 ARG B 51 6.319 17.787 7.034 1.00 0.00 H new ATOM 0 HE ARG B 51 6.063 18.871 9.468 1.00 0.00 H new ATOM 0 HH11 ARG B 51 4.703 15.843 8.209 1.00 0.00 H new ATOM 0 HH12 ARG B 51 4.622 15.093 9.807 1.00 0.00 H new ATOM 0 HH21 ARG B 51 5.904 17.901 11.506 1.00 0.00 H new ATOM 0 HH22 ARG B 51 5.296 16.249 11.657 1.00 0.00 H new ATOM 742 N GLY B 52 5.627 22.526 6.670 1.00 0.00 N ATOM 743 CA GLY B 52 6.607 23.549 6.999 1.00 0.00 C ATOM 744 C GLY B 52 8.029 23.051 6.758 1.00 0.00 C ATOM 745 O GLY B 52 8.247 21.867 6.501 1.00 0.00 O ATOM 0 H GLY B 52 5.112 22.168 7.475 1.00 0.00 H new ATOM 0 HA2 GLY B 52 6.424 24.439 6.396 1.00 0.00 H new ATOM 0 HA3 GLY B 52 6.494 23.842 8.043 1.00 0.00 H new ATOM 749 N GLY B 53 8.999 23.963 6.846 1.00 0.00 N ATOM 750 CA GLY B 53 10.403 23.636 6.637 1.00 0.00 C ATOM 751 C GLY B 53 10.726 23.483 5.151 1.00 0.00 C ATOM 752 O GLY B 53 9.864 23.695 4.299 1.00 0.00 O ATOM 0 H GLY B 53 8.830 24.945 7.064 1.00 0.00 H new ATOM 0 HA2 GLY B 53 11.028 24.418 7.068 1.00 0.00 H new ATOM 0 HA3 GLY B 53 10.644 22.711 7.160 1.00 0.00 H new ATOM 756 N PRO B 54 11.976 23.116 4.839 1.00 0.00 N ATOM 757 CA PRO B 54 12.460 22.928 3.484 1.00 0.00 C ATOM 758 C PRO B 54 11.805 21.708 2.828 1.00 0.00 C ATOM 759 O PRO B 54 11.267 20.844 3.522 1.00 0.00 O ATOM 760 CB PRO B 54 13.973 22.738 3.615 1.00 0.00 C ATOM 761 CG PRO B 54 14.160 22.210 5.040 1.00 0.00 C ATOM 762 CD PRO B 54 13.017 22.859 5.816 1.00 0.00 C ATOM 0 HA PRO B 54 12.215 23.779 2.848 1.00 0.00 H new ATOM 0 HB2 PRO B 54 14.352 22.033 2.875 1.00 0.00 H new ATOM 0 HB3 PRO B 54 14.507 23.676 3.464 1.00 0.00 H new ATOM 0 HG2 PRO B 54 14.102 21.122 5.075 1.00 0.00 H new ATOM 0 HG3 PRO B 54 15.131 22.491 5.447 1.00 0.00 H new ATOM 0 HD2 PRO B 54 12.658 22.201 6.607 1.00 0.00 H new ATOM 0 HD3 PRO B 54 13.343 23.783 6.293 1.00 0.00 H new ATOM 770 N PRO B 55 11.849 21.631 1.491 1.00 0.00 N ATOM 771 CA PRO B 55 11.318 20.514 0.731 1.00 0.00 C ATOM 772 C PRO B 55 12.097 19.232 1.039 1.00 0.00 C ATOM 773 O PRO B 55 13.168 19.277 1.648 1.00 0.00 O ATOM 774 CB PRO B 55 11.455 20.908 -0.741 1.00 0.00 C ATOM 775 CG PRO B 55 12.550 21.978 -0.752 1.00 0.00 C ATOM 776 CD PRO B 55 12.434 22.634 0.623 1.00 0.00 C ATOM 0 HA PRO B 55 10.278 20.309 0.987 1.00 0.00 H new ATOM 0 HB2 PRO B 55 11.731 20.052 -1.357 1.00 0.00 H new ATOM 0 HB3 PRO B 55 10.517 21.296 -1.137 1.00 0.00 H new ATOM 0 HG2 PRO B 55 13.536 21.539 -0.904 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.395 22.700 -1.554 1.00 0.00 H new ATOM 0 HD2 PRO B 55 13.411 22.947 0.990 1.00 0.00 H new ATOM 0 HD3 PRO B 55 11.809 23.526 0.579 1.00 0.00 H new ATOM 784 N PHE B 56 11.552 18.088 0.615 1.00 0.00 N ATOM 785 CA PHE B 56 12.137 16.787 0.912 1.00 0.00 C ATOM 786 C PHE B 56 11.707 15.855 -0.221 1.00 0.00 C ATOM 787 O PHE B 56 10.907 16.239 -1.075 1.00 0.00 O ATOM 788 CB PHE B 56 11.579 16.310 2.254 1.00 0.00 C ATOM 789 CG PHE B 56 10.191 15.705 2.210 1.00 0.00 C ATOM 790 CD1 PHE B 56 10.019 14.353 2.531 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.079 16.490 1.871 1.00 0.00 C ATOM 792 CE1 PHE B 56 8.736 13.795 2.555 1.00 0.00 C ATOM 793 CE2 PHE B 56 7.793 15.921 1.868 1.00 0.00 C ATOM 794 CZ PHE B 56 7.624 14.574 2.216 1.00 0.00 C ATOM 0 H PHE B 56 10.698 18.042 0.060 1.00 0.00 H new ATOM 0 HA PHE B 56 13.224 16.817 0.982 1.00 0.00 H new ATOM 0 HB2 PHE B 56 12.264 15.571 2.670 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.565 17.155 2.942 1.00 0.00 H new ATOM 0 HD1 PHE B 56 10.878 13.740 2.760 1.00 0.00 H new ATOM 0 HD2 PHE B 56 9.210 17.530 1.613 1.00 0.00 H new ATOM 0 HE1 PHE B 56 8.604 12.761 2.836 1.00 0.00 H new ATOM 0 HE2 PHE B 56 6.937 16.521 1.598 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.636 14.137 2.223 1.00 0.00 H new ATOM 804 N ALA B 57 12.236 14.629 -0.244 1.00 0.00 N ATOM 805 CA ALA B 57 11.984 13.716 -1.346 1.00 0.00 C ATOM 806 C ALA B 57 12.174 12.257 -0.939 1.00 0.00 C ATOM 807 O ALA B 57 12.710 11.962 0.129 1.00 0.00 O ATOM 808 CB ALA B 57 12.939 14.060 -2.491 1.00 0.00 C ATOM 0 H ALA B 57 12.838 14.253 0.488 1.00 0.00 H new ATOM 0 HA ALA B 57 10.946 13.832 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.763 13.383 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.766 15.087 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.969 13.955 -2.150 1.00 0.00 H new ATOM 814 N PHE B 58 11.731 11.349 -1.813 1.00 0.00 N ATOM 815 CA PHE B 58 11.985 9.921 -1.690 1.00 0.00 C ATOM 816 C PHE B 58 12.588 9.384 -2.983 1.00 0.00 C ATOM 817 O PHE B 58 12.415 9.980 -4.050 1.00 0.00 O ATOM 818 CB PHE B 58 10.697 9.174 -1.332 1.00 0.00 C ATOM 819 CG PHE B 58 10.095 9.575 -0.006 1.00 0.00 C ATOM 820 CD1 PHE B 58 10.715 9.197 1.192 1.00 0.00 C ATOM 821 CD2 PHE B 58 8.910 10.322 0.026 1.00 0.00 C ATOM 822 CE1 PHE B 58 10.155 9.575 2.418 1.00 0.00 C ATOM 823 CE2 PHE B 58 8.365 10.721 1.252 1.00 0.00 C ATOM 824 CZ PHE B 58 8.986 10.344 2.448 1.00 0.00 C ATOM 0 H PHE B 58 11.179 11.594 -2.635 1.00 0.00 H new ATOM 0 HA PHE B 58 12.700 9.758 -0.884 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.961 9.344 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.904 8.104 -1.315 1.00 0.00 H new ATOM 0 HD1 PHE B 58 11.624 8.615 1.170 1.00 0.00 H new ATOM 0 HD2 PHE B 58 8.416 10.590 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.626 9.273 3.342 1.00 0.00 H new ATOM 0 HE2 PHE B 58 7.466 11.319 1.275 1.00 0.00 H new ATOM 0 HZ PHE B 58 8.563 10.647 3.395 1.00 0.00 H new ATOM 834 N VAL B 59 13.296 8.257 -2.892 1.00 0.00 N ATOM 835 CA VAL B 59 13.942 7.632 -4.034 1.00 0.00 C ATOM 836 C VAL B 59 13.842 6.123 -3.857 1.00 0.00 C ATOM 837 O VAL B 59 13.970 5.636 -2.736 1.00 0.00 O ATOM 838 CB VAL B 59 15.412 8.065 -4.079 1.00 0.00 C ATOM 839 CG1 VAL B 59 16.190 7.235 -5.102 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.527 9.542 -4.456 1.00 0.00 C ATOM 0 H VAL B 59 13.435 7.754 -2.016 1.00 0.00 H new ATOM 0 HA VAL B 59 13.463 7.930 -4.967 1.00 0.00 H new ATOM 0 HB VAL B 59 15.832 7.907 -3.086 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.231 7.559 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL B 59 16.142 6.181 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.752 7.373 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.578 9.830 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL B 59 15.082 9.703 -5.438 1.00 0.00 H new ATOM 0 HG23 VAL B 59 15.003 10.148 -3.717 1.00 0.00 H new ATOM 850 N GLU B 60 13.623 5.383 -4.946 1.00 0.00 N ATOM 851 CA GLU B 60 13.575 3.928 -4.881 1.00 0.00 C ATOM 852 C GLU B 60 14.668 3.330 -5.758 1.00 0.00 C ATOM 853 O GLU B 60 14.748 3.640 -6.945 1.00 0.00 O ATOM 854 CB GLU B 60 12.197 3.425 -5.323 1.00 0.00 C ATOM 855 CG GLU B 60 12.134 1.904 -5.166 1.00 0.00 C ATOM 856 CD GLU B 60 10.791 1.325 -5.616 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.867 2.127 -5.881 1.00 0.00 O ATOM 858 OE2 GLU B 60 10.707 0.076 -5.692 1.00 0.00 O ATOM 0 H GLU B 60 13.477 5.769 -5.879 1.00 0.00 H new ATOM 0 HA GLU B 60 13.744 3.613 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.417 3.896 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU B 60 12.013 3.702 -6.361 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.936 1.448 -5.747 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.308 1.642 -4.122 1.00 0.00 H new ATOM 865 N PHE B 61 15.507 2.475 -5.168 1.00 0.00 N ATOM 866 CA PHE B 61 16.527 1.745 -5.910 1.00 0.00 C ATOM 867 C PHE B 61 16.085 0.396 -6.470 1.00 0.00 C ATOM 868 O PHE B 61 15.087 -0.172 -6.026 1.00 0.00 O ATOM 869 CB PHE B 61 17.801 1.625 -5.083 1.00 0.00 C ATOM 870 CG PHE B 61 18.581 2.912 -5.045 1.00 0.00 C ATOM 871 CD1 PHE B 61 18.429 3.784 -3.964 1.00 0.00 C ATOM 872 CD2 PHE B 61 19.447 3.237 -6.099 1.00 0.00 C ATOM 873 CE1 PHE B 61 19.139 4.989 -3.936 1.00 0.00 C ATOM 874 CE2 PHE B 61 20.151 4.446 -6.079 1.00 0.00 C ATOM 875 CZ PHE B 61 20.001 5.322 -4.993 1.00 0.00 C ATOM 0 H PHE B 61 15.496 2.273 -4.168 1.00 0.00 H new ATOM 0 HA PHE B 61 16.726 2.344 -6.799 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.545 1.328 -4.066 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.427 0.835 -5.497 1.00 0.00 H new ATOM 0 HD1 PHE B 61 17.765 3.528 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE B 61 19.571 2.554 -6.926 1.00 0.00 H new ATOM 0 HE1 PHE B 61 19.024 5.664 -3.101 1.00 0.00 H new ATOM 0 HE2 PHE B 61 20.808 4.704 -6.897 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.549 6.253 -4.970 1.00 0.00 H new ATOM 885 N GLU B 62 16.837 -0.118 -7.450 1.00 0.00 N ATOM 886 CA GLU B 62 16.591 -1.438 -8.013 1.00 0.00 C ATOM 887 C GLU B 62 16.994 -2.529 -7.020 1.00 0.00 C ATOM 888 O GLU B 62 16.488 -3.646 -7.090 1.00 0.00 O ATOM 889 CB GLU B 62 17.370 -1.560 -9.329 1.00 0.00 C ATOM 890 CG GLU B 62 17.349 -2.979 -9.913 1.00 0.00 C ATOM 891 CD GLU B 62 15.943 -3.456 -10.284 1.00 0.00 C ATOM 892 OE1 GLU B 62 14.989 -2.660 -10.139 1.00 0.00 O ATOM 893 OE2 GLU B 62 15.837 -4.626 -10.716 1.00 0.00 O ATOM 0 H GLU B 62 17.628 0.371 -7.869 1.00 0.00 H new ATOM 0 HA GLU B 62 15.528 -1.567 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.950 -0.867 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.404 -1.258 -9.161 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.982 -3.010 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU B 62 17.781 -3.670 -9.189 1.00 0.00 H new ATOM 900 N ASP B 63 17.907 -2.196 -6.098 1.00 0.00 N ATOM 901 CA ASP B 63 18.411 -3.106 -5.080 1.00 0.00 C ATOM 902 C ASP B 63 18.689 -2.397 -3.755 1.00 0.00 C ATOM 903 O ASP B 63 18.995 -1.205 -3.749 1.00 0.00 O ATOM 904 CB ASP B 63 19.662 -3.836 -5.587 1.00 0.00 C ATOM 905 CG ASP B 63 19.332 -4.958 -6.568 1.00 0.00 C ATOM 906 OD1 ASP B 63 18.331 -5.669 -6.327 1.00 0.00 O ATOM 907 OD2 ASP B 63 20.093 -5.089 -7.557 1.00 0.00 O ATOM 0 H ASP B 63 18.320 -1.265 -6.044 1.00 0.00 H new ATOM 0 HA ASP B 63 17.631 -3.842 -4.885 1.00 0.00 H new ATOM 0 HB2 ASP B 63 20.325 -3.119 -6.071 1.00 0.00 H new ATOM 0 HB3 ASP B 63 20.206 -4.250 -4.738 1.00 0.00 H new ATOM 912 N PRO B 64 18.593 -3.114 -2.628 1.00 0.00 N ATOM 913 CA PRO B 64 18.855 -2.555 -1.313 1.00 0.00 C ATOM 914 C PRO B 64 20.339 -2.229 -1.153 1.00 0.00 C ATOM 915 O PRO B 64 20.716 -1.454 -0.273 1.00 0.00 O ATOM 916 CB PRO B 64 18.414 -3.632 -0.321 1.00 0.00 C ATOM 917 CG PRO B 64 18.515 -4.936 -1.115 1.00 0.00 C ATOM 918 CD PRO B 64 18.223 -4.512 -2.549 1.00 0.00 C ATOM 0 HA PRO B 64 18.318 -1.620 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO B 64 19.057 -3.650 0.559 1.00 0.00 H new ATOM 0 HB3 PRO B 64 17.397 -3.457 0.031 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.504 -5.384 -1.024 1.00 0.00 H new ATOM 0 HG3 PRO B 64 17.796 -5.676 -0.762 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.796 -5.109 -3.258 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.170 -4.652 -2.792 1.00 0.00 H new ATOM 926 N ARG B 65 21.187 -2.818 -2.006 1.00 0.00 N ATOM 927 CA ARG B 65 22.619 -2.555 -1.995 1.00 0.00 C ATOM 928 C ARG B 65 22.891 -1.130 -2.465 1.00 0.00 C ATOM 929 O ARG B 65 23.751 -0.448 -1.913 1.00 0.00 O ATOM 930 CB ARG B 65 23.315 -3.568 -2.909 1.00 0.00 C ATOM 931 CG ARG B 65 24.810 -3.255 -3.033 1.00 0.00 C ATOM 932 CD ARG B 65 25.458 -4.246 -3.992 1.00 0.00 C ATOM 933 NE ARG B 65 26.882 -3.946 -4.181 1.00 0.00 N ATOM 934 CZ ARG B 65 27.340 -2.974 -4.976 1.00 0.00 C ATOM 935 NH1 ARG B 65 26.498 -2.197 -5.654 1.00 0.00 N ATOM 936 NH2 ARG B 65 28.651 -2.775 -5.092 1.00 0.00 N ATOM 0 H ARG B 65 20.894 -3.487 -2.718 1.00 0.00 H new ATOM 0 HA ARG B 65 23.008 -2.658 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG B 65 23.182 -4.574 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG B 65 22.853 -3.551 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG B 65 24.951 -2.237 -3.395 1.00 0.00 H new ATOM 0 HG3 ARG B 65 25.287 -3.314 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG B 65 25.345 -5.258 -3.604 1.00 0.00 H new ATOM 0 HD3 ARG B 65 24.946 -4.214 -4.954 1.00 0.00 H new ATOM 0 HE ARG B 65 27.563 -4.513 -3.676 1.00 0.00 H new ATOM 0 HH11 ARG B 65 25.492 -2.340 -5.570 1.00 0.00 H new ATOM 0 HH12 ARG B 65 26.859 -1.458 -6.258 1.00 0.00 H new ATOM 0 HH21 ARG B 65 29.304 -3.364 -4.575 1.00 0.00 H new ATOM 0 HH22 ARG B 65 29.003 -2.034 -5.698 1.00 0.00 H new ATOM 950 N ASP B 66 22.156 -0.676 -3.484 1.00 0.00 N ATOM 951 CA ASP B 66 22.330 0.664 -4.012 1.00 0.00 C ATOM 952 C ASP B 66 21.705 1.713 -3.101 1.00 0.00 C ATOM 953 O ASP B 66 22.129 2.867 -3.088 1.00 0.00 O ATOM 954 CB ASP B 66 21.742 0.746 -5.424 1.00 0.00 C ATOM 955 CG ASP B 66 22.497 -0.118 -6.433 1.00 0.00 C ATOM 956 OD1 ASP B 66 22.081 -0.102 -7.612 1.00 0.00 O ATOM 957 OD2 ASP B 66 23.476 -0.780 -6.023 1.00 0.00 O ATOM 0 H ASP B 66 21.436 -1.224 -3.955 1.00 0.00 H new ATOM 0 HA ASP B 66 23.398 0.876 -4.059 1.00 0.00 H new ATOM 0 HB2 ASP B 66 20.698 0.435 -5.396 1.00 0.00 H new ATOM 0 HB3 ASP B 66 21.756 1.783 -5.759 1.00 0.00 H new ATOM 962 N ALA B 67 20.691 1.308 -2.329 1.00 0.00 N ATOM 963 CA ALA B 67 20.054 2.190 -1.366 1.00 0.00 C ATOM 964 C ALA B 67 20.991 2.433 -0.186 1.00 0.00 C ATOM 965 O ALA B 67 21.026 3.534 0.359 1.00 0.00 O ATOM 966 CB ALA B 67 18.748 1.552 -0.899 1.00 0.00 C ATOM 0 H ALA B 67 20.297 0.368 -2.359 1.00 0.00 H new ATOM 0 HA ALA B 67 19.835 3.152 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA B 67 18.262 2.206 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA B 67 18.089 1.404 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA B 67 18.959 0.590 -0.433 1.00 0.00 H new ATOM 972 N GLU B 68 21.752 1.409 0.207 1.00 0.00 N ATOM 973 CA GLU B 68 22.706 1.527 1.299 1.00 0.00 C ATOM 974 C GLU B 68 23.872 2.425 0.892 1.00 0.00 C ATOM 975 O GLU B 68 24.440 3.123 1.730 1.00 0.00 O ATOM 976 CB GLU B 68 23.188 0.125 1.683 1.00 0.00 C ATOM 977 CG GLU B 68 24.329 0.164 2.710 1.00 0.00 C ATOM 978 CD GLU B 68 23.887 0.719 4.066 1.00 0.00 C ATOM 979 OE1 GLU B 68 24.773 0.864 4.938 1.00 0.00 O ATOM 980 OE2 GLU B 68 22.675 0.992 4.224 1.00 0.00 O ATOM 0 H GLU B 68 21.721 0.484 -0.222 1.00 0.00 H new ATOM 0 HA GLU B 68 22.229 1.988 2.164 1.00 0.00 H new ATOM 0 HB2 GLU B 68 22.353 -0.445 2.091 1.00 0.00 H new ATOM 0 HB3 GLU B 68 23.525 -0.399 0.789 1.00 0.00 H new ATOM 0 HG2 GLU B 68 24.724 -0.843 2.846 1.00 0.00 H new ATOM 0 HG3 GLU B 68 25.142 0.776 2.320 1.00 0.00 H new ATOM 987 N ASP B 69 24.230 2.412 -0.395 1.00 0.00 N ATOM 988 CA ASP B 69 25.328 3.223 -0.901 1.00 0.00 C ATOM 989 C ASP B 69 25.008 4.715 -0.934 1.00 0.00 C ATOM 990 O ASP B 69 25.884 5.542 -0.683 1.00 0.00 O ATOM 991 CB ASP B 69 25.761 2.723 -2.285 1.00 0.00 C ATOM 992 CG ASP B 69 26.520 1.395 -2.220 1.00 0.00 C ATOM 993 OD1 ASP B 69 26.788 0.925 -1.090 1.00 0.00 O ATOM 994 OD2 ASP B 69 26.824 0.861 -3.309 1.00 0.00 O ATOM 0 H ASP B 69 23.769 1.843 -1.105 1.00 0.00 H new ATOM 0 HA ASP B 69 26.156 3.108 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP B 69 24.880 2.603 -2.916 1.00 0.00 H new ATOM 0 HB3 ASP B 69 26.392 3.475 -2.758 1.00 0.00 H new ATOM 999 N ALA B 70 23.754 5.062 -1.240 1.00 0.00 N ATOM 1000 CA ALA B 70 23.326 6.450 -1.266 1.00 0.00 C ATOM 1001 C ALA B 70 23.250 7.000 0.153 1.00 0.00 C ATOM 1002 O ALA B 70 23.509 8.183 0.372 1.00 0.00 O ATOM 1003 CB ALA B 70 21.965 6.536 -1.951 1.00 0.00 C ATOM 0 H ALA B 70 23.021 4.392 -1.473 1.00 0.00 H new ATOM 0 HA ALA B 70 24.046 7.049 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.635 7.575 -1.975 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.046 6.157 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.241 5.938 -1.398 1.00 0.00 H new ATOM 1009 N VAL B 71 22.902 6.147 1.119 1.00 0.00 N ATOM 1010 CA VAL B 71 22.813 6.551 2.516 1.00 0.00 C ATOM 1011 C VAL B 71 24.212 6.578 3.134 1.00 0.00 C ATOM 1012 O VAL B 71 24.472 7.369 4.038 1.00 0.00 O ATOM 1013 CB VAL B 71 21.890 5.578 3.260 1.00 0.00 C ATOM 1014 CG1 VAL B 71 21.936 5.820 4.770 1.00 0.00 C ATOM 1015 CG2 VAL B 71 20.455 5.764 2.766 1.00 0.00 C ATOM 0 H VAL B 71 22.677 5.166 0.953 1.00 0.00 H new ATOM 0 HA VAL B 71 22.394 7.554 2.594 1.00 0.00 H new ATOM 0 HB VAL B 71 22.231 4.562 3.061 1.00 0.00 H new ATOM 0 HG11 VAL B 71 21.272 5.116 5.272 1.00 0.00 H new ATOM 0 HG12 VAL B 71 22.955 5.678 5.130 1.00 0.00 H new ATOM 0 HG13 VAL B 71 21.614 6.839 4.985 1.00 0.00 H new ATOM 0 HG21 VAL B 71 19.796 5.074 3.293 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.134 6.788 2.957 1.00 0.00 H new ATOM 0 HG23 VAL B 71 20.410 5.563 1.696 1.00 0.00 H new ATOM 1025 N SER B 72 25.110 5.717 2.649 1.00 0.00 N ATOM 1026 CA SER B 72 26.480 5.656 3.131 1.00 0.00 C ATOM 1027 C SER B 72 27.325 6.766 2.499 1.00 0.00 C ATOM 1028 O SER B 72 28.466 6.989 2.904 1.00 0.00 O ATOM 1029 CB SER B 72 27.061 4.277 2.811 1.00 0.00 C ATOM 1030 OG SER B 72 28.387 4.177 3.278 1.00 0.00 O ATOM 0 H SER B 72 24.901 5.045 1.911 1.00 0.00 H new ATOM 0 HA SER B 72 26.493 5.808 4.210 1.00 0.00 H new ATOM 0 HB2 SER B 72 26.448 3.502 3.272 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.035 4.106 1.735 1.00 0.00 H new ATOM 0 HG SER B 72 28.792 5.069 3.305 1.00 0.00 H new ATOM 1036 N GLY B 73 26.770 7.465 1.502 1.00 0.00 N ATOM 1037 CA GLY B 73 27.469 8.530 0.798 1.00 0.00 C ATOM 1038 C GLY B 73 27.735 9.720 1.719 1.00 0.00 C ATOM 1039 O GLY B 73 28.856 9.906 2.190 1.00 0.00 O ATOM 0 H GLY B 73 25.821 7.303 1.165 1.00 0.00 H new ATOM 0 HA2 GLY B 73 28.413 8.152 0.406 1.00 0.00 H new ATOM 0 HA3 GLY B 73 26.876 8.854 -0.057 1.00 0.00 H new ATOM 1043 N ARG B 74 26.700 10.524 1.974 1.00 0.00 N ATOM 1044 CA ARG B 74 26.805 11.677 2.856 1.00 0.00 C ATOM 1045 C ARG B 74 25.428 12.035 3.400 1.00 0.00 C ATOM 1046 O ARG B 74 24.461 12.125 2.645 1.00 0.00 O ATOM 1047 CB ARG B 74 27.418 12.851 2.081 1.00 0.00 C ATOM 1048 CG ARG B 74 27.509 14.142 2.903 1.00 0.00 C ATOM 1049 CD ARG B 74 28.563 14.051 4.011 1.00 0.00 C ATOM 1050 NE ARG B 74 28.042 13.374 5.208 1.00 0.00 N ATOM 1051 CZ ARG B 74 28.652 12.363 5.836 1.00 0.00 C ATOM 1052 NH1 ARG B 74 29.824 11.899 5.407 1.00 0.00 N ATOM 1053 NH2 ARG B 74 28.081 11.811 6.902 1.00 0.00 N ATOM 0 H ARG B 74 25.771 10.391 1.574 1.00 0.00 H new ATOM 0 HA ARG B 74 27.452 11.444 3.702 1.00 0.00 H new ATOM 0 HB2 ARG B 74 28.416 12.572 1.744 1.00 0.00 H new ATOM 0 HB3 ARG B 74 26.821 13.039 1.188 1.00 0.00 H new ATOM 0 HG2 ARG B 74 27.750 14.975 2.242 1.00 0.00 H new ATOM 0 HG3 ARG B 74 26.537 14.358 3.346 1.00 0.00 H new ATOM 0 HD2 ARG B 74 29.435 13.512 3.640 1.00 0.00 H new ATOM 0 HD3 ARG B 74 28.897 15.054 4.277 1.00 0.00 H new ATOM 0 HE ARG B 74 27.152 13.699 5.586 1.00 0.00 H new ATOM 0 HH11 ARG B 74 30.269 12.315 4.589 1.00 0.00 H new ATOM 0 HH12 ARG B 74 30.277 11.127 5.896 1.00 0.00 H new ATOM 0 HH21 ARG B 74 27.182 12.159 7.237 1.00 0.00 H new ATOM 0 HH22 ARG B 74 28.541 11.040 7.385 1.00 0.00 H new ATOM 1067 N ASP B 75 25.345 12.240 4.716 1.00 0.00 N ATOM 1068 CA ASP B 75 24.123 12.651 5.389 1.00 0.00 C ATOM 1069 C ASP B 75 24.486 13.414 6.662 1.00 0.00 C ATOM 1070 O ASP B 75 25.645 13.421 7.082 1.00 0.00 O ATOM 1071 CB ASP B 75 23.271 11.420 5.727 1.00 0.00 C ATOM 1072 CG ASP B 75 23.960 10.432 6.675 1.00 0.00 C ATOM 1073 OD1 ASP B 75 25.163 10.620 6.961 1.00 0.00 O ATOM 1074 OD2 ASP B 75 23.263 9.488 7.111 1.00 0.00 O ATOM 0 H ASP B 75 26.137 12.122 5.347 1.00 0.00 H new ATOM 0 HA ASP B 75 23.543 13.301 4.733 1.00 0.00 H new ATOM 0 HB2 ASP B 75 22.335 11.750 6.179 1.00 0.00 H new ATOM 0 HB3 ASP B 75 23.014 10.903 4.803 1.00 0.00 H new ATOM 1079 N GLY B 76 23.491 14.060 7.277 1.00 0.00 N ATOM 1080 CA GLY B 76 23.666 14.720 8.563 1.00 0.00 C ATOM 1081 C GLY B 76 24.755 15.789 8.503 1.00 0.00 C ATOM 1082 O GLY B 76 25.549 15.915 9.433 1.00 0.00 O ATOM 0 H GLY B 76 22.548 14.137 6.895 1.00 0.00 H new ATOM 0 HA2 GLY B 76 22.725 15.176 8.870 1.00 0.00 H new ATOM 0 HA3 GLY B 76 23.923 13.980 9.320 1.00 0.00 H new ATOM 1086 N TYR B 77 24.800 16.560 7.411 1.00 0.00 N ATOM 1087 CA TYR B 77 25.885 17.494 7.175 1.00 0.00 C ATOM 1088 C TYR B 77 25.557 18.929 7.564 1.00 0.00 C ATOM 1089 O TYR B 77 24.495 19.440 7.220 1.00 0.00 O ATOM 1090 CB TYR B 77 26.428 17.358 5.752 1.00 0.00 C ATOM 1091 CG TYR B 77 27.315 18.506 5.323 1.00 0.00 C ATOM 1092 CD1 TYR B 77 28.583 18.661 5.907 1.00 0.00 C ATOM 1093 CD2 TYR B 77 26.877 19.405 4.337 1.00 0.00 C ATOM 1094 CE1 TYR B 77 29.413 19.719 5.512 1.00 0.00 C ATOM 1095 CE2 TYR B 77 27.704 20.467 3.938 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.975 20.626 4.525 1.00 0.00 C ATOM 1097 OH TYR B 77 29.786 21.653 4.139 1.00 0.00 O ATOM 0 H TYR B 77 24.090 16.549 6.679 1.00 0.00 H new ATOM 0 HA TYR B 77 26.691 17.216 7.854 1.00 0.00 H new ATOM 0 HB2 TYR B 77 26.991 16.428 5.676 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.590 17.281 5.059 1.00 0.00 H new ATOM 0 HD1 TYR B 77 28.919 17.964 6.661 1.00 0.00 H new ATOM 0 HD2 TYR B 77 25.904 19.279 3.886 1.00 0.00 H new ATOM 0 HE1 TYR B 77 30.387 19.840 5.963 1.00 0.00 H new ATOM 0 HE2 TYR B 77 27.367 21.161 3.182 1.00 0.00 H new ATOM 0 HH TYR B 77 29.335 22.185 3.450 1.00 0.00 H new ATOM 1107 N ASP B 78 26.477 19.567 8.284 1.00 0.00 N ATOM 1108 CA ASP B 78 26.313 20.920 8.780 1.00 0.00 C ATOM 1109 C ASP B 78 26.168 21.940 7.650 1.00 0.00 C ATOM 1110 O ASP B 78 27.138 22.265 6.965 1.00 0.00 O ATOM 1111 CB ASP B 78 27.479 21.264 9.716 1.00 0.00 C ATOM 1112 CG ASP B 78 27.531 22.746 10.090 1.00 0.00 C ATOM 1113 OD1 ASP B 78 28.633 23.200 10.467 1.00 0.00 O ATOM 1114 OD2 ASP B 78 26.476 23.410 10.003 1.00 0.00 O ATOM 0 H ASP B 78 27.370 19.146 8.540 1.00 0.00 H new ATOM 0 HA ASP B 78 25.381 20.970 9.344 1.00 0.00 H new ATOM 0 HB2 ASP B 78 27.395 20.669 10.625 1.00 0.00 H new ATOM 0 HB3 ASP B 78 28.417 20.983 9.237 1.00 0.00 H new ATOM 1119 N TYR B 79 24.944 22.439 7.466 1.00 0.00 N ATOM 1120 CA TYR B 79 24.628 23.441 6.466 1.00 0.00 C ATOM 1121 C TYR B 79 24.199 24.759 7.113 1.00 0.00 C ATOM 1122 O TYR B 79 23.983 24.818 8.322 1.00 0.00 O ATOM 1123 CB TYR B 79 23.582 22.875 5.505 1.00 0.00 C ATOM 1124 CG TYR B 79 23.025 23.865 4.510 1.00 0.00 C ATOM 1125 CD1 TYR B 79 21.899 24.631 4.840 1.00 0.00 C ATOM 1126 CD2 TYR B 79 23.637 24.016 3.257 1.00 0.00 C ATOM 1127 CE1 TYR B 79 21.372 25.544 3.918 1.00 0.00 C ATOM 1128 CE2 TYR B 79 23.117 24.929 2.327 1.00 0.00 C ATOM 1129 CZ TYR B 79 21.979 25.696 2.654 1.00 0.00 C ATOM 1130 OH TYR B 79 21.471 26.585 1.753 1.00 0.00 O ATOM 0 H TYR B 79 24.138 22.149 8.020 1.00 0.00 H new ATOM 0 HA TYR B 79 25.521 23.679 5.888 1.00 0.00 H new ATOM 0 HB2 TYR B 79 24.026 22.044 4.957 1.00 0.00 H new ATOM 0 HB3 TYR B 79 22.757 22.467 6.089 1.00 0.00 H new ATOM 0 HD1 TYR B 79 21.436 24.517 5.809 1.00 0.00 H new ATOM 0 HD2 TYR B 79 24.509 23.429 3.008 1.00 0.00 H new ATOM 0 HE1 TYR B 79 20.502 26.131 4.174 1.00 0.00 H new ATOM 0 HE2 TYR B 79 23.588 25.044 1.362 1.00 0.00 H new ATOM 0 HH TYR B 79 22.009 26.565 0.934 1.00 0.00 H new ATOM 1140 N ASP B 80 24.073 25.818 6.313 1.00 0.00 N ATOM 1141 CA ASP B 80 23.696 27.130 6.815 1.00 0.00 C ATOM 1142 C ASP B 80 22.322 27.122 7.500 1.00 0.00 C ATOM 1143 O ASP B 80 21.288 27.148 6.831 1.00 0.00 O ATOM 1144 CB ASP B 80 23.761 28.155 5.677 1.00 0.00 C ATOM 1145 CG ASP B 80 23.185 29.511 6.083 1.00 0.00 C ATOM 1146 OD1 ASP B 80 22.827 30.278 5.164 1.00 0.00 O ATOM 1147 OD2 ASP B 80 23.109 29.769 7.304 1.00 0.00 O ATOM 0 H ASP B 80 24.229 25.787 5.306 1.00 0.00 H new ATOM 0 HA ASP B 80 24.410 27.417 7.587 1.00 0.00 H new ATOM 0 HB2 ASP B 80 24.797 28.282 5.364 1.00 0.00 H new ATOM 0 HB3 ASP B 80 23.213 27.773 4.816 1.00 0.00 H new ATOM 1152 N GLY B 81 22.320 27.087 8.839 1.00 0.00 N ATOM 1153 CA GLY B 81 21.101 27.113 9.635 1.00 0.00 C ATOM 1154 C GLY B 81 20.368 25.770 9.646 1.00 0.00 C ATOM 1155 O GLY B 81 19.379 25.621 10.360 1.00 0.00 O ATOM 0 H GLY B 81 23.173 27.040 9.397 1.00 0.00 H new ATOM 0 HA2 GLY B 81 21.348 27.395 10.659 1.00 0.00 H new ATOM 0 HA3 GLY B 81 20.434 27.882 9.244 1.00 0.00 H new ATOM 1159 N TYR B 82 20.840 24.793 8.862 1.00 0.00 N ATOM 1160 CA TYR B 82 20.200 23.484 8.759 1.00 0.00 C ATOM 1161 C TYR B 82 21.201 22.325 8.690 1.00 0.00 C ATOM 1162 O TYR B 82 22.395 22.516 8.902 1.00 0.00 O ATOM 1163 CB TYR B 82 19.221 23.476 7.581 1.00 0.00 C ATOM 1164 CG TYR B 82 18.010 24.362 7.769 1.00 0.00 C ATOM 1165 CD1 TYR B 82 18.098 25.726 7.459 1.00 0.00 C ATOM 1166 CD2 TYR B 82 16.806 23.823 8.243 1.00 0.00 C ATOM 1167 CE1 TYR B 82 16.979 26.558 7.618 1.00 0.00 C ATOM 1168 CE2 TYR B 82 15.682 24.647 8.405 1.00 0.00 C ATOM 1169 CZ TYR B 82 15.764 26.019 8.091 1.00 0.00 C ATOM 1170 OH TYR B 82 14.673 26.821 8.250 1.00 0.00 O ATOM 0 H TYR B 82 21.675 24.891 8.284 1.00 0.00 H new ATOM 0 HA TYR B 82 19.641 23.317 9.679 1.00 0.00 H new ATOM 0 HB2 TYR B 82 19.751 23.791 6.682 1.00 0.00 H new ATOM 0 HB3 TYR B 82 18.885 22.453 7.411 1.00 0.00 H new ATOM 0 HD1 TYR B 82 19.029 26.138 7.097 1.00 0.00 H new ATOM 0 HD2 TYR B 82 16.743 22.772 8.484 1.00 0.00 H new ATOM 0 HE1 TYR B 82 17.048 27.609 7.379 1.00 0.00 H new ATOM 0 HE2 TYR B 82 14.755 24.231 8.770 1.00 0.00 H new ATOM 0 HH TYR B 82 13.921 26.288 8.583 1.00 0.00 H new ATOM 1180 N ARG B 83 20.702 21.121 8.399 1.00 0.00 N ATOM 1181 CA ARG B 83 21.505 19.908 8.336 1.00 0.00 C ATOM 1182 C ARG B 83 20.903 18.970 7.300 1.00 0.00 C ATOM 1183 O ARG B 83 19.703 18.710 7.328 1.00 0.00 O ATOM 1184 CB ARG B 83 21.545 19.279 9.734 1.00 0.00 C ATOM 1185 CG ARG B 83 22.466 18.063 9.775 1.00 0.00 C ATOM 1186 CD ARG B 83 22.580 17.583 11.224 1.00 0.00 C ATOM 1187 NE ARG B 83 23.544 16.482 11.347 1.00 0.00 N ATOM 1188 CZ ARG B 83 23.344 15.379 12.076 1.00 0.00 C ATOM 1189 NH1 ARG B 83 22.214 15.208 12.754 1.00 0.00 N ATOM 1190 NH2 ARG B 83 24.285 14.443 12.120 1.00 0.00 N ATOM 0 H ARG B 83 19.714 20.964 8.198 1.00 0.00 H new ATOM 0 HA ARG B 83 22.529 20.123 8.031 1.00 0.00 H new ATOM 0 HB2 ARG B 83 21.886 20.019 10.457 1.00 0.00 H new ATOM 0 HB3 ARG B 83 20.538 18.984 10.030 1.00 0.00 H new ATOM 0 HG2 ARG B 83 22.070 17.268 9.143 1.00 0.00 H new ATOM 0 HG3 ARG B 83 23.450 18.321 9.384 1.00 0.00 H new ATOM 0 HD2 ARG B 83 22.888 18.412 11.861 1.00 0.00 H new ATOM 0 HD3 ARG B 83 21.603 17.255 11.579 1.00 0.00 H new ATOM 0 HE ARG B 83 24.426 16.564 10.842 1.00 0.00 H new ATOM 0 HH11 ARG B 83 21.487 15.923 12.722 1.00 0.00 H new ATOM 0 HH12 ARG B 83 22.074 14.362 13.306 1.00 0.00 H new ATOM 0 HH21 ARG B 83 25.153 14.568 11.600 1.00 0.00 H new ATOM 0 HH22 ARG B 83 24.139 13.599 12.674 1.00 0.00 H new ATOM 1204 N LEU B 84 21.734 18.465 6.385 1.00 0.00 N ATOM 1205 CA LEU B 84 21.274 17.616 5.289 1.00 0.00 C ATOM 1206 C LEU B 84 20.774 16.280 5.840 1.00 0.00 C ATOM 1207 O LEU B 84 21.269 15.809 6.863 1.00 0.00 O ATOM 1208 CB LEU B 84 22.425 17.366 4.297 1.00 0.00 C ATOM 1209 CG LEU B 84 22.696 18.533 3.336 1.00 0.00 C ATOM 1210 CD1 LEU B 84 21.479 18.813 2.453 1.00 0.00 C ATOM 1211 CD2 LEU B 84 23.082 19.810 4.081 1.00 0.00 C ATOM 0 H LEU B 84 22.740 18.633 6.385 1.00 0.00 H new ATOM 0 HA LEU B 84 20.458 18.121 4.771 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.335 17.155 4.860 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.198 16.474 3.712 1.00 0.00 H new ATOM 0 HG LEU B 84 23.536 18.231 2.710 1.00 0.00 H new ATOM 0 HD11 LEU B 84 21.699 19.644 1.783 1.00 0.00 H new ATOM 0 HD12 LEU B 84 21.244 17.925 1.866 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.625 19.070 3.081 1.00 0.00 H new ATOM 0 HD21 LEU B 84 23.265 20.609 3.363 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.271 20.101 4.749 1.00 0.00 H new ATOM 0 HD23 LEU B 84 23.986 19.632 4.664 1.00 0.00 H new ATOM 1223 N ARG B 85 19.796 15.667 5.159 1.00 0.00 N ATOM 1224 CA ARG B 85 19.366 14.317 5.501 1.00 0.00 C ATOM 1225 C ARG B 85 19.337 13.435 4.259 1.00 0.00 C ATOM 1226 O ARG B 85 18.768 13.811 3.238 1.00 0.00 O ATOM 1227 CB ARG B 85 17.983 14.320 6.158 1.00 0.00 C ATOM 1228 CG ARG B 85 17.877 15.282 7.344 1.00 0.00 C ATOM 1229 CD ARG B 85 17.415 16.659 6.873 1.00 0.00 C ATOM 1230 NE ARG B 85 17.123 17.533 8.015 1.00 0.00 N ATOM 1231 CZ ARG B 85 15.975 17.496 8.698 1.00 0.00 C ATOM 1232 NH1 ARG B 85 15.021 16.635 8.362 1.00 0.00 N ATOM 1233 NH2 ARG B 85 15.784 18.325 9.720 1.00 0.00 N ATOM 0 H ARG B 85 19.295 16.086 4.375 1.00 0.00 H new ATOM 0 HA ARG B 85 20.086 13.916 6.214 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.235 14.590 5.412 1.00 0.00 H new ATOM 0 HB3 ARG B 85 17.747 13.311 6.496 1.00 0.00 H new ATOM 0 HG2 ARG B 85 17.175 14.888 8.079 1.00 0.00 H new ATOM 0 HG3 ARG B 85 18.844 15.366 7.840 1.00 0.00 H new ATOM 0 HD2 ARG B 85 18.187 17.113 6.251 1.00 0.00 H new ATOM 0 HD3 ARG B 85 16.525 16.556 6.252 1.00 0.00 H new ATOM 0 HE ARG B 85 17.834 18.205 8.303 1.00 0.00 H new ATOM 0 HH11 ARG B 85 15.162 15.997 7.579 1.00 0.00 H new ATOM 0 HH12 ARG B 85 14.147 16.612 8.887 1.00 0.00 H new ATOM 0 HH21 ARG B 85 16.513 18.988 9.982 1.00 0.00 H new ATOM 0 HH22 ARG B 85 14.908 18.298 10.242 1.00 0.00 H new ATOM 1247 N VAL B 86 19.958 12.257 4.367 1.00 0.00 N ATOM 1248 CA VAL B 86 19.927 11.222 3.339 1.00 0.00 C ATOM 1249 C VAL B 86 19.926 9.850 4.005 1.00 0.00 C ATOM 1250 O VAL B 86 20.967 9.201 4.106 1.00 0.00 O ATOM 1251 CB VAL B 86 21.105 11.367 2.361 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.925 10.395 1.193 1.00 0.00 C ATOM 1253 CG2 VAL B 86 21.211 12.786 1.804 1.00 0.00 C ATOM 0 H VAL B 86 20.505 11.995 5.187 1.00 0.00 H new ATOM 0 HA VAL B 86 19.015 11.333 2.753 1.00 0.00 H new ATOM 0 HB VAL B 86 22.018 11.144 2.913 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.761 10.499 0.501 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.892 9.373 1.572 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.993 10.619 0.673 1.00 0.00 H new ATOM 0 HG21 VAL B 86 22.056 12.845 1.118 1.00 0.00 H new ATOM 0 HG22 VAL B 86 20.293 13.038 1.273 1.00 0.00 H new ATOM 0 HG23 VAL B 86 21.360 13.489 2.624 1.00 0.00 H new ATOM 1263 N GLU B 87 18.755 9.409 4.470 1.00 0.00 N ATOM 1264 CA GLU B 87 18.626 8.166 5.221 1.00 0.00 C ATOM 1265 C GLU B 87 17.311 7.465 4.898 1.00 0.00 C ATOM 1266 O GLU B 87 16.435 8.047 4.267 1.00 0.00 O ATOM 1267 CB GLU B 87 18.725 8.466 6.724 1.00 0.00 C ATOM 1268 CG GLU B 87 17.579 9.375 7.178 1.00 0.00 C ATOM 1269 CD GLU B 87 17.628 9.646 8.683 1.00 0.00 C ATOM 1270 OE1 GLU B 87 16.757 10.413 9.151 1.00 0.00 O ATOM 1271 OE2 GLU B 87 18.527 9.086 9.347 1.00 0.00 O ATOM 0 H GLU B 87 17.874 9.905 4.335 1.00 0.00 H new ATOM 0 HA GLU B 87 19.436 7.495 4.934 1.00 0.00 H new ATOM 0 HB2 GLU B 87 18.699 7.533 7.287 1.00 0.00 H new ATOM 0 HB3 GLU B 87 19.681 8.943 6.941 1.00 0.00 H new ATOM 0 HG2 GLU B 87 17.629 10.320 6.637 1.00 0.00 H new ATOM 0 HG3 GLU B 87 16.626 8.912 6.923 1.00 0.00 H new ATOM 1278 N PHE B 88 17.176 6.209 5.331 1.00 0.00 N ATOM 1279 CA PHE B 88 15.967 5.428 5.112 1.00 0.00 C ATOM 1280 C PHE B 88 14.726 5.998 5.802 1.00 0.00 C ATOM 1281 O PHE B 88 14.852 6.684 6.821 1.00 0.00 O ATOM 1282 CB PHE B 88 16.203 3.974 5.525 1.00 0.00 C ATOM 1283 CG PHE B 88 17.054 3.180 4.558 1.00 0.00 C ATOM 1284 CD1 PHE B 88 16.445 2.459 3.518 1.00 0.00 C ATOM 1285 CD2 PHE B 88 18.447 3.161 4.701 1.00 0.00 C ATOM 1286 CE1 PHE B 88 17.233 1.717 2.625 1.00 0.00 C ATOM 1287 CE2 PHE B 88 19.234 2.422 3.807 1.00 0.00 C ATOM 1288 CZ PHE B 88 18.629 1.700 2.772 1.00 0.00 C ATOM 0 H PHE B 88 17.904 5.710 5.842 1.00 0.00 H new ATOM 0 HA PHE B 88 15.754 5.479 4.044 1.00 0.00 H new ATOM 0 HB2 PHE B 88 16.679 3.960 6.505 1.00 0.00 H new ATOM 0 HB3 PHE B 88 15.238 3.478 5.633 1.00 0.00 H new ATOM 0 HD1 PHE B 88 15.371 2.476 3.406 1.00 0.00 H new ATOM 0 HD2 PHE B 88 18.915 3.716 5.501 1.00 0.00 H new ATOM 0 HE1 PHE B 88 16.766 1.160 1.826 1.00 0.00 H new ATOM 0 HE2 PHE B 88 20.308 2.410 3.917 1.00 0.00 H new ATOM 0 HZ PHE B 88 19.237 1.129 2.086 1.00 0.00 H new ATOM 1298 N PRO B 89 13.529 5.726 5.265 1.00 0.00 N ATOM 1299 CA PRO B 89 12.266 6.116 5.870 1.00 0.00 C ATOM 1300 C PRO B 89 12.035 5.368 7.180 1.00 0.00 C ATOM 1301 O PRO B 89 11.483 5.999 8.109 1.00 0.00 O ATOM 1302 CB PRO B 89 11.192 5.777 4.834 1.00 0.00 C ATOM 1303 CG PRO B 89 11.830 4.673 3.988 1.00 0.00 C ATOM 1304 CD PRO B 89 13.315 5.004 4.028 1.00 0.00 C ATOM 0 HA PRO B 89 12.249 7.176 6.124 1.00 0.00 H new ATOM 0 HB2 PRO B 89 10.273 5.435 5.309 1.00 0.00 H new ATOM 0 HB3 PRO B 89 10.934 6.645 4.228 1.00 0.00 H new ATOM 0 HG2 PRO B 89 11.628 3.685 4.401 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.446 4.677 2.968 1.00 0.00 H new ATOM 0 HD2 PRO B 89 13.918 4.097 3.996 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.603 5.609 3.168 1.00 0.00 H new TER 1312 PRO B 89 ATOM 1313 O5' A A 90 8.944 23.160 15.549 1.00 0.00 O ATOM 1314 C5' A A 90 8.491 22.396 14.452 1.00 0.00 C ATOM 1315 C4' A A 90 8.417 20.922 14.851 1.00 0.00 C ATOM 1316 O4' A A 90 7.398 20.717 15.820 1.00 0.00 O ATOM 1317 C3' A A 90 8.008 20.079 13.650 1.00 0.00 C ATOM 1318 O3' A A 90 8.439 18.740 13.819 1.00 0.00 O ATOM 1319 C2' A A 90 6.486 20.167 13.696 1.00 0.00 C ATOM 1320 O2' A A 90 5.894 18.931 13.348 1.00 0.00 O ATOM 1321 C1' A A 90 6.161 20.558 15.142 1.00 0.00 C ATOM 1322 N9 A A 90 5.357 21.805 15.170 1.00 0.00 N ATOM 1323 C8 A A 90 4.330 22.168 14.337 1.00 0.00 C ATOM 1324 N7 A A 90 3.803 23.329 14.608 1.00 0.00 N ATOM 1325 C5 A A 90 4.529 23.769 15.712 1.00 0.00 C ATOM 1326 C6 A A 90 4.460 24.934 16.498 1.00 0.00 C ATOM 1327 N6 A A 90 3.591 25.924 16.271 1.00 0.00 N ATOM 1328 N1 A A 90 5.309 25.053 17.524 1.00 0.00 N ATOM 1329 C2 A A 90 6.177 24.080 17.756 1.00 0.00 C ATOM 1330 N3 A A 90 6.352 22.943 17.098 1.00 0.00 N ATOM 1331 C4 A A 90 5.477 22.847 16.068 1.00 0.00 C ATOM 0 H5' A A 90 9.166 22.521 13.605 1.00 0.00 H new ATOM 0 H5'' A A 90 7.510 22.747 14.132 1.00 0.00 H new ATOM 0 H4' A A 90 9.398 20.643 15.236 1.00 0.00 H new ATOM 0 H3' A A 90 8.436 20.415 12.706 1.00 0.00 H new ATOM 0 H2' A A 90 6.093 20.891 12.982 1.00 0.00 H new ATOM 0 HO2' A A 90 6.529 18.204 13.520 1.00 0.00 H new ATOM 0 HO5' A A 90 8.230 23.229 16.216 1.00 0.00 H new ATOM 0 H1' A A 90 5.564 19.790 15.634 1.00 0.00 H new ATOM 0 H8 A A 90 3.987 21.544 13.525 1.00 0.00 H new ATOM 0 H61 A A 90 3.586 26.747 16.874 1.00 0.00 H new ATOM 0 H62 A A 90 2.933 25.857 15.495 1.00 0.00 H new ATOM 0 H2 A A 90 6.834 24.235 18.599 1.00 0.00 H new ATOM 1344 P A A 91 9.950 18.314 13.468 1.00 0.00 P ATOM 1345 OP1 A A 91 10.128 16.890 13.832 1.00 0.00 O ATOM 1346 OP2 A A 91 10.872 19.333 14.022 1.00 0.00 O ATOM 1347 O5' A A 91 9.974 18.435 11.863 1.00 0.00 O ATOM 1348 C5' A A 91 9.367 17.450 11.054 1.00 0.00 C ATOM 1349 C4' A A 91 9.430 17.863 9.582 1.00 0.00 C ATOM 1350 O4' A A 91 8.516 18.930 9.354 1.00 0.00 O ATOM 1351 C3' A A 91 10.827 18.357 9.211 1.00 0.00 C ATOM 1352 O3' A A 91 11.150 18.007 7.880 1.00 0.00 O ATOM 1353 C2' A A 91 10.693 19.861 9.350 1.00 0.00 C ATOM 1354 O2' A A 91 11.565 20.553 8.477 1.00 0.00 O ATOM 1355 C1' A A 91 9.232 20.104 8.998 1.00 0.00 C ATOM 1356 N9 A A 91 8.727 21.309 9.705 1.00 0.00 N ATOM 1357 C8 A A 91 9.420 22.438 10.065 1.00 0.00 C ATOM 1358 N7 A A 91 8.694 23.337 10.671 1.00 0.00 N ATOM 1359 C5 A A 91 7.425 22.765 10.712 1.00 0.00 C ATOM 1360 C6 A A 91 6.194 23.208 11.228 1.00 0.00 C ATOM 1361 N6 A A 91 6.031 24.385 11.843 1.00 0.00 N ATOM 1362 N1 A A 91 5.129 22.404 11.099 1.00 0.00 N ATOM 1363 C2 A A 91 5.278 21.229 10.502 1.00 0.00 C ATOM 1364 N3 A A 91 6.373 20.696 9.986 1.00 0.00 N ATOM 1365 C4 A A 91 7.435 21.529 10.126 1.00 0.00 C ATOM 0 H5' A A 91 8.329 17.310 11.356 1.00 0.00 H new ATOM 0 H5'' A A 91 9.871 16.494 11.193 1.00 0.00 H new ATOM 0 H4' A A 91 9.179 16.992 8.976 1.00 0.00 H new ATOM 0 H3' A A 91 11.616 17.928 9.829 1.00 0.00 H new ATOM 0 H2' A A 91 10.962 20.223 10.342 1.00 0.00 H new ATOM 0 HO2' A A 91 11.927 19.929 7.814 1.00 0.00 H new ATOM 0 H1' A A 91 9.103 20.299 7.933 1.00 0.00 H new ATOM 0 H8 A A 91 10.473 22.570 9.864 1.00 0.00 H new ATOM 0 H61 A A 91 5.113 24.653 12.197 1.00 0.00 H new ATOM 0 H62 A A 91 6.825 25.015 11.958 1.00 0.00 H new ATOM 0 H2 A A 91 4.385 20.626 10.427 1.00 0.00 H new ATOM 1377 P C A 92 11.771 16.562 7.534 1.00 0.00 P ATOM 1378 OP1 C A 92 12.378 16.016 8.774 1.00 0.00 O ATOM 1379 OP2 C A 92 12.603 16.698 6.316 1.00 0.00 O ATOM 1380 O5' C A 92 10.497 15.653 7.164 1.00 0.00 O ATOM 1381 C5' C A 92 9.864 15.783 5.911 1.00 0.00 C ATOM 1382 C4' C A 92 8.988 14.563 5.625 1.00 0.00 C ATOM 1383 O4' C A 92 9.813 13.435 5.372 1.00 0.00 O ATOM 1384 C3' C A 92 8.089 14.237 6.814 1.00 0.00 C ATOM 1385 O3' C A 92 6.803 13.839 6.375 1.00 0.00 O ATOM 1386 C2' C A 92 8.806 13.062 7.459 1.00 0.00 C ATOM 1387 O2' C A 92 7.918 12.196 8.132 1.00 0.00 O ATOM 1388 C1' C A 92 9.446 12.393 6.255 1.00 0.00 C ATOM 1389 N1 C A 92 10.628 11.600 6.665 1.00 0.00 N ATOM 1390 C2 C A 92 10.670 10.255 6.309 1.00 0.00 C ATOM 1391 O2 C A 92 9.744 9.745 5.682 1.00 0.00 O ATOM 1392 N3 C A 92 11.756 9.522 6.673 1.00 0.00 N ATOM 1393 C4 C A 92 12.758 10.077 7.357 1.00 0.00 C ATOM 1394 N4 C A 92 13.807 9.322 7.683 1.00 0.00 N ATOM 1395 C5 C A 92 12.727 11.451 7.746 1.00 0.00 C ATOM 1396 C6 C A 92 11.642 12.172 7.380 1.00 0.00 C ATOM 0 H5' C A 92 10.614 15.891 5.127 1.00 0.00 H new ATOM 0 H5'' C A 92 9.255 16.687 5.897 1.00 0.00 H new ATOM 0 H4' C A 92 8.368 14.794 4.759 1.00 0.00 H new ATOM 0 H3' C A 92 7.935 15.083 7.484 1.00 0.00 H new ATOM 0 H2' C A 92 9.516 13.356 8.232 1.00 0.00 H new ATOM 0 HO2' C A 92 7.000 12.382 7.845 1.00 0.00 H new ATOM 0 H1' C A 92 8.758 11.698 5.773 1.00 0.00 H new ATOM 0 H41 C A 92 14.584 9.727 8.206 1.00 0.00 H new ATOM 0 H42 C A 92 13.833 8.340 7.410 1.00 0.00 H new ATOM 0 H5 C A 92 13.535 11.895 8.308 1.00 0.00 H new ATOM 0 H6 C A 92 11.577 13.214 7.657 1.00 0.00 H new ATOM 1408 P A A 93 5.776 14.902 5.733 1.00 0.00 P ATOM 1409 OP1 A A 93 6.529 16.126 5.384 1.00 0.00 O ATOM 1410 OP2 A A 93 4.592 15.001 6.618 1.00 0.00 O ATOM 1411 O5' A A 93 5.320 14.196 4.359 1.00 0.00 O ATOM 1412 C5' A A 93 4.383 13.138 4.358 1.00 0.00 C ATOM 1413 C4' A A 93 3.900 12.889 2.925 1.00 0.00 C ATOM 1414 O4' A A 93 4.833 12.081 2.214 1.00 0.00 O ATOM 1415 C3' A A 93 2.573 12.134 2.942 1.00 0.00 C ATOM 1416 O3' A A 93 1.824 12.471 1.792 1.00 0.00 O ATOM 1417 C2' A A 93 3.028 10.687 2.888 1.00 0.00 C ATOM 1418 O2' A A 93 2.067 9.854 2.275 1.00 0.00 O ATOM 1419 C1' A A 93 4.309 10.767 2.066 1.00 0.00 C ATOM 1420 N9 A A 93 5.279 9.749 2.491 1.00 0.00 N ATOM 1421 C8 A A 93 5.622 9.400 3.762 1.00 0.00 C ATOM 1422 N7 A A 93 6.490 8.431 3.843 1.00 0.00 N ATOM 1423 C5 A A 93 6.750 8.119 2.508 1.00 0.00 C ATOM 1424 C6 A A 93 7.598 7.185 1.885 1.00 0.00 C ATOM 1425 N6 A A 93 8.387 6.342 2.557 1.00 0.00 N ATOM 1426 N1 A A 93 7.610 7.139 0.546 1.00 0.00 N ATOM 1427 C2 A A 93 6.838 7.977 -0.133 1.00 0.00 C ATOM 1428 N3 A A 93 6.004 8.898 0.320 1.00 0.00 N ATOM 1429 C4 A A 93 6.012 8.919 1.676 1.00 0.00 C ATOM 0 H5' A A 93 3.538 13.385 5.001 1.00 0.00 H new ATOM 0 H5'' A A 93 4.838 12.234 4.763 1.00 0.00 H new ATOM 0 H4' A A 93 3.791 13.860 2.442 1.00 0.00 H new ATOM 0 H3' A A 93 1.937 12.354 3.799 1.00 0.00 H new ATOM 0 H2' A A 93 3.175 10.249 3.875 1.00 0.00 H new ATOM 0 HO2' A A 93 1.258 9.825 2.828 1.00 0.00 H new ATOM 0 H1' A A 93 4.097 10.566 1.016 1.00 0.00 H new ATOM 0 H8 A A 93 5.208 9.887 4.633 1.00 0.00 H new ATOM 0 H61 A A 93 8.981 5.686 2.050 1.00 0.00 H new ATOM 0 H62 A A 93 8.395 6.354 3.577 1.00 0.00 H new ATOM 0 H2 A A 93 6.899 7.896 -1.208 1.00 0.00 H new ATOM 1441 P A A 94 0.998 13.853 1.729 1.00 0.00 P ATOM 1442 OP1 A A 94 1.498 14.638 0.579 1.00 0.00 O ATOM 1443 OP2 A A 94 0.997 14.458 3.081 1.00 0.00 O ATOM 1444 O5' A A 94 -0.498 13.371 1.399 1.00 0.00 O ATOM 1445 C5' A A 94 -0.845 12.977 0.086 1.00 0.00 C ATOM 1446 C4' A A 94 -2.314 12.546 0.017 1.00 0.00 C ATOM 1447 O4' A A 94 -2.477 11.274 0.627 1.00 0.00 O ATOM 1448 C3' A A 94 -3.233 13.542 0.739 1.00 0.00 C ATOM 1449 O3' A A 94 -4.309 13.916 -0.096 1.00 0.00 O ATOM 1450 C2' A A 94 -3.756 12.730 1.922 1.00 0.00 C ATOM 1451 O2' A A 94 -5.082 13.075 2.271 1.00 0.00 O ATOM 1452 C1' A A 94 -3.663 11.307 1.395 1.00 0.00 C ATOM 1453 N9 A A 94 -3.619 10.328 2.502 1.00 0.00 N ATOM 1454 C8 A A 94 -4.624 9.501 2.947 1.00 0.00 C ATOM 1455 N7 A A 94 -4.282 8.740 3.947 1.00 0.00 N ATOM 1456 C5 A A 94 -2.956 9.091 4.195 1.00 0.00 C ATOM 1457 C6 A A 94 -2.007 8.655 5.140 1.00 0.00 C ATOM 1458 N6 A A 94 -2.257 7.720 6.058 1.00 0.00 N ATOM 1459 N1 A A 94 -0.790 9.214 5.115 1.00 0.00 N ATOM 1460 C2 A A 94 -0.530 10.146 4.207 1.00 0.00 C ATOM 1461 N3 A A 94 -1.323 10.642 3.268 1.00 0.00 N ATOM 1462 C4 A A 94 -2.543 10.059 3.318 1.00 0.00 C ATOM 0 H5' A A 94 -0.205 12.154 -0.233 1.00 0.00 H new ATOM 0 H5'' A A 94 -0.671 13.802 -0.604 1.00 0.00 H new ATOM 0 H4' A A 94 -2.588 12.508 -1.037 1.00 0.00 H new ATOM 0 H3' A A 94 -2.725 14.462 1.027 1.00 0.00 H new ATOM 0 H2' A A 94 -3.195 12.898 2.841 1.00 0.00 H new ATOM 0 HO2' A A 94 -5.463 13.653 1.577 1.00 0.00 H new ATOM 0 H1' A A 94 -4.535 11.037 0.799 1.00 0.00 H new ATOM 0 H8 A A 94 -5.610 9.484 2.506 1.00 0.00 H new ATOM 0 H61 A A 94 -1.529 7.445 6.717 1.00 0.00 H new ATOM 0 H62 A A 94 -3.176 7.280 6.101 1.00 0.00 H new ATOM 0 H2 A A 94 0.468 10.558 4.237 1.00 0.00 H new ATOM 1474 P A A 95 -4.098 14.968 -1.298 1.00 0.00 P ATOM 1475 OP1 A A 95 -3.051 15.932 -0.893 1.00 0.00 O ATOM 1476 OP2 A A 95 -5.429 15.465 -1.714 1.00 0.00 O ATOM 1477 O5' A A 95 -3.511 14.059 -2.492 1.00 0.00 O ATOM 1478 C5' A A 95 -4.308 13.066 -3.098 1.00 0.00 C ATOM 1479 C4' A A 95 -3.568 12.462 -4.292 1.00 0.00 C ATOM 1480 O4' A A 95 -2.451 11.707 -3.836 1.00 0.00 O ATOM 1481 C3' A A 95 -4.491 11.488 -5.021 1.00 0.00 C ATOM 1482 O3' A A 95 -4.092 11.381 -6.373 1.00 0.00 O ATOM 1483 C2' A A 95 -4.222 10.199 -4.268 1.00 0.00 C ATOM 1484 O2' A A 95 -4.524 9.056 -5.048 1.00 0.00 O ATOM 1485 C1' A A 95 -2.729 10.319 -3.978 1.00 0.00 C ATOM 1486 N9 A A 95 -2.345 9.574 -2.758 1.00 0.00 N ATOM 1487 C8 A A 95 -3.062 8.645 -2.048 1.00 0.00 C ATOM 1488 N7 A A 95 -2.436 8.167 -1.009 1.00 0.00 N ATOM 1489 C5 A A 95 -1.205 8.818 -1.041 1.00 0.00 C ATOM 1490 C6 A A 95 -0.063 8.753 -0.220 1.00 0.00 C ATOM 1491 N6 A A 95 0.030 7.965 0.856 1.00 0.00 N ATOM 1492 N1 A A 95 0.990 9.520 -0.540 1.00 0.00 N ATOM 1493 C2 A A 95 0.916 10.302 -1.607 1.00 0.00 C ATOM 1494 N3 A A 95 -0.090 10.459 -2.457 1.00 0.00 N ATOM 1495 C4 A A 95 -1.138 9.674 -2.106 1.00 0.00 C ATOM 0 H5' A A 95 -5.254 13.497 -3.425 1.00 0.00 H new ATOM 0 H5'' A A 95 -4.546 12.286 -2.374 1.00 0.00 H new ATOM 0 H4' A A 95 -3.250 13.273 -4.947 1.00 0.00 H new ATOM 0 H3' A A 95 -5.543 11.772 -5.038 1.00 0.00 H new ATOM 0 H2' A A 95 -4.835 10.073 -3.375 1.00 0.00 H new ATOM 0 HO2' A A 95 -4.242 8.249 -4.569 1.00 0.00 H new ATOM 0 HO3' A A 95 -4.001 10.435 -6.613 1.00 0.00 H new ATOM 0 H1' A A 95 -2.149 9.883 -4.791 1.00 0.00 H new ATOM 0 H8 A A 95 -4.059 8.336 -2.326 1.00 0.00 H new ATOM 0 H61 A A 95 0.885 7.961 1.413 1.00 0.00 H new ATOM 0 H62 A A 95 -0.754 7.368 1.120 1.00 0.00 H new ATOM 0 H2 A A 95 1.796 10.893 -1.813 1.00 0.00 H new TER 1508 A A 95