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 Set 1.1: B 14 ASN : amide:sc= 1.16 K(o=0.74,f=-7.9!) USER MOD Set 1.2: B 16 CYS SG : rot 86:sc= -0.423 USER MOD Single : A 90 A O2' : rot 73:sc= 0.289 USER MOD Single : A 90 A O5' : rot 66:sc= 0.687 USER MOD Single : A 91 A O2' : rot -45:sc= 0.669 USER MOD Single : A 92 C O2' : rot 24:sc= 0.205 USER MOD Single : A 93 A O2' : rot 21:sc= 0.155 USER MOD Single : A 94 A O2' : rot -121:sc= 0.966 USER MOD Single : A 95 A O2' : rot 177:sc= 0 USER MOD Single : A 95 A O3' : rot 133:sc= 0.207 USER MOD Single : B 13 ASN : amide:sc= 0.975 K(o=0.98,f=-5.6!) USER MOD Single : B 19 TYR OH : rot 7:sc= 0.324 USER MOD Single : B 22 ASN : amide:sc= -0.456 K(o=-0.46,f=-2.7!) USER MOD Single : B 29 THR OG1 : rot -41:sc= 0.462 USER MOD Single : B 30 LYS NZ :NH3+ 169:sc= -0.0182 (180deg=-0.161) USER MOD Single : B 37 SER OG : rot -77:sc= 0.799 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+ -166:sc= 1.18 (180deg=0.693) USER MOD Single : B 49 ASN : amide:sc= -0.263 K(o=-0.26,f=-7.5!) USER MOD Single : B 72 SER OG : rot 180:sc= 0 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 -1.064 0.065 1.111 1.00 0.00 N ATOM 2 CA VAL B 6 -0.649 1.037 2.143 1.00 0.00 C ATOM 3 C VAL B 6 -0.590 2.456 1.590 1.00 0.00 C ATOM 4 O VAL B 6 -0.264 2.651 0.421 1.00 0.00 O ATOM 5 CB VAL B 6 0.673 0.613 2.806 1.00 0.00 C ATOM 6 CG1 VAL B 6 1.869 0.913 1.902 1.00 0.00 C ATOM 7 CG2 VAL B 6 0.859 1.349 4.132 1.00 0.00 C ATOM 0 HA VAL B 6 -1.411 1.040 2.922 1.00 0.00 H new ATOM 0 HB VAL B 6 0.623 -0.462 2.980 1.00 0.00 H new ATOM 0 HG11 VAL B 6 2.788 0.602 2.399 1.00 0.00 H new ATOM 0 HG12 VAL B 6 1.762 0.369 0.964 1.00 0.00 H new ATOM 0 HG13 VAL B 6 1.911 1.983 1.698 1.00 0.00 H new ATOM 0 HG21 VAL B 6 1.798 1.040 4.591 1.00 0.00 H new ATOM 0 HG22 VAL B 6 0.879 2.424 3.952 1.00 0.00 H new ATOM 0 HG23 VAL B 6 0.032 1.109 4.800 1.00 0.00 H new ATOM 17 N ILE B 7 -0.905 3.451 2.425 1.00 0.00 N ATOM 18 CA ILE B 7 -0.932 4.848 2.008 1.00 0.00 C ATOM 19 C ILE B 7 0.457 5.487 2.117 1.00 0.00 C ATOM 20 O ILE B 7 0.632 6.654 1.769 1.00 0.00 O ATOM 21 CB ILE B 7 -1.964 5.630 2.840 1.00 0.00 C ATOM 22 CG1 ILE B 7 -3.146 4.735 3.257 1.00 0.00 C ATOM 23 CG2 ILE B 7 -2.458 6.827 2.020 1.00 0.00 C ATOM 24 CD1 ILE B 7 -4.204 5.525 4.032 1.00 0.00 C ATOM 0 H ILE B 7 -1.147 3.307 3.405 1.00 0.00 H new ATOM 0 HA ILE B 7 -1.229 4.887 0.960 1.00 0.00 H new ATOM 0 HB ILE B 7 -1.487 5.981 3.755 1.00 0.00 H new ATOM 0 HG12 ILE B 7 -3.599 4.292 2.370 1.00 0.00 H new ATOM 0 HG13 ILE B 7 -2.781 3.913 3.873 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -3.190 7.388 2.600 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -1.615 7.474 1.776 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -2.921 6.471 1.099 1.00 0.00 H new ATOM 0 HD11 ILE B 7 -5.023 4.861 4.310 1.00 0.00 H new ATOM 0 HD12 ILE B 7 -3.757 5.946 4.932 1.00 0.00 H new ATOM 0 HD13 ILE B 7 -4.587 6.331 3.406 1.00 0.00 H new ATOM 36 N ARG B 8 1.446 4.727 2.600 1.00 0.00 N ATOM 37 CA ARG B 8 2.811 5.224 2.760 1.00 0.00 C ATOM 38 C ARG B 8 3.387 5.648 1.409 1.00 0.00 C ATOM 39 O ARG B 8 3.141 4.992 0.400 1.00 0.00 O ATOM 40 CB ARG B 8 3.665 4.150 3.447 1.00 0.00 C ATOM 41 CG ARG B 8 5.147 4.539 3.482 1.00 0.00 C ATOM 42 CD ARG B 8 5.886 4.024 2.244 1.00 0.00 C ATOM 43 NE ARG B 8 6.321 2.630 2.419 1.00 0.00 N ATOM 44 CZ ARG B 8 7.580 2.266 2.680 1.00 0.00 C ATOM 45 NH1 ARG B 8 8.533 3.181 2.844 1.00 0.00 N ATOM 46 NH2 ARG B 8 7.892 0.977 2.775 1.00 0.00 N ATOM 0 H ARG B 8 1.321 3.757 2.888 1.00 0.00 H new ATOM 0 HA ARG B 8 2.812 6.110 3.394 1.00 0.00 H new ATOM 0 HB2 ARG B 8 3.306 3.995 4.464 1.00 0.00 H new ATOM 0 HB3 ARG B 8 3.550 3.202 2.921 1.00 0.00 H new ATOM 0 HG2 ARG B 8 5.239 5.624 3.538 1.00 0.00 H new ATOM 0 HG3 ARG B 8 5.611 4.132 4.381 1.00 0.00 H new ATOM 0 HD2 ARG B 8 5.234 4.097 1.373 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.753 4.655 2.047 1.00 0.00 H new ATOM 0 HE ARG B 8 5.618 1.896 2.336 1.00 0.00 H new ATOM 0 HH11 ARG B 8 8.306 4.173 2.771 1.00 0.00 H new ATOM 0 HH12 ARG B 8 9.490 2.890 3.043 1.00 0.00 H new ATOM 0 HH21 ARG B 8 7.171 0.267 2.649 1.00 0.00 H new ATOM 0 HH22 ARG B 8 8.853 0.698 2.974 1.00 0.00 H new ATOM 60 N GLY B 9 4.155 6.739 1.398 1.00 0.00 N ATOM 61 CA GLY B 9 4.821 7.207 0.191 1.00 0.00 C ATOM 62 C GLY B 9 3.804 7.476 -0.919 1.00 0.00 C ATOM 63 O GLY B 9 2.687 7.906 -0.636 1.00 0.00 O ATOM 0 H GLY B 9 4.329 7.316 2.221 1.00 0.00 H new ATOM 0 HA2 GLY B 9 5.379 8.118 0.408 1.00 0.00 H new ATOM 0 HA3 GLY B 9 5.543 6.462 -0.144 1.00 0.00 H new ATOM 67 N PRO B 10 4.178 7.230 -2.180 1.00 0.00 N ATOM 68 CA PRO B 10 3.297 7.343 -3.333 1.00 0.00 C ATOM 69 C PRO B 10 2.350 6.139 -3.398 1.00 0.00 C ATOM 70 O PRO B 10 2.128 5.573 -4.470 1.00 0.00 O ATOM 71 CB PRO B 10 4.232 7.404 -4.538 1.00 0.00 C ATOM 72 CG PRO B 10 5.435 6.573 -4.094 1.00 0.00 C ATOM 73 CD PRO B 10 5.510 6.812 -2.584 1.00 0.00 C ATOM 0 HA PRO B 10 2.655 8.223 -3.291 1.00 0.00 H new ATOM 0 HB2 PRO B 10 3.764 6.989 -5.431 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.517 8.429 -4.774 1.00 0.00 H new ATOM 0 HG2 PRO B 10 5.298 5.517 -4.325 1.00 0.00 H new ATOM 0 HG3 PRO B 10 6.349 6.893 -4.595 1.00 0.00 H new ATOM 0 HD2 PRO B 10 5.811 5.905 -2.059 1.00 0.00 H new ATOM 0 HD3 PRO B 10 6.249 7.577 -2.346 1.00 0.00 H new ATOM 81 N ALA B 11 1.796 5.747 -2.245 1.00 0.00 N ATOM 82 CA ALA B 11 0.974 4.551 -2.095 1.00 0.00 C ATOM 83 C ALA B 11 1.736 3.275 -2.482 1.00 0.00 C ATOM 84 O ALA B 11 1.129 2.219 -2.652 1.00 0.00 O ATOM 85 CB ALA B 11 -0.335 4.712 -2.873 1.00 0.00 C ATOM 0 H ALA B 11 1.912 6.266 -1.375 1.00 0.00 H new ATOM 0 HA ALA B 11 0.724 4.436 -1.040 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -0.941 3.814 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -0.883 5.573 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -0.114 4.864 -3.929 1.00 0.00 H new ATOM 91 N GLY B 12 3.062 3.375 -2.623 1.00 0.00 N ATOM 92 CA GLY B 12 3.917 2.231 -2.916 1.00 0.00 C ATOM 93 C GLY B 12 4.461 1.623 -1.626 1.00 0.00 C ATOM 94 O GLY B 12 4.225 2.146 -0.535 1.00 0.00 O ATOM 0 H GLY B 12 3.569 4.256 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY B 12 3.352 1.480 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY B 12 4.744 2.542 -3.555 1.00 0.00 H new ATOM 98 N ASN B 13 5.195 0.513 -1.744 1.00 0.00 N ATOM 99 CA ASN B 13 5.792 -0.137 -0.591 1.00 0.00 C ATOM 100 C ASN B 13 7.019 -0.943 -1.017 1.00 0.00 C ATOM 101 O ASN B 13 6.933 -1.787 -1.904 1.00 0.00 O ATOM 102 CB ASN B 13 4.752 -1.050 0.066 1.00 0.00 C ATOM 103 CG ASN B 13 5.248 -1.610 1.391 1.00 0.00 C ATOM 104 OD1 ASN B 13 6.112 -1.021 2.035 1.00 0.00 O ATOM 105 ND2 ASN B 13 4.705 -2.752 1.806 1.00 0.00 N ATOM 0 H ASN B 13 5.386 0.050 -2.633 1.00 0.00 H new ATOM 0 HA ASN B 13 6.113 0.617 0.128 1.00 0.00 H new ATOM 0 HB2 ASN B 13 3.830 -0.492 0.230 1.00 0.00 H new ATOM 0 HB3 ASN B 13 4.512 -1.872 -0.609 1.00 0.00 H new ATOM 0 HD21 ASN B 13 5.004 -3.168 2.688 1.00 0.00 H new ATOM 0 HD22 ASN B 13 3.990 -3.211 1.242 1.00 0.00 H new ATOM 112 N ASN B 14 8.160 -0.672 -0.376 1.00 0.00 N ATOM 113 CA ASN B 14 9.402 -1.391 -0.631 1.00 0.00 C ATOM 114 C ASN B 14 10.371 -1.126 0.524 1.00 0.00 C ATOM 115 O ASN B 14 10.459 0.001 1.013 1.00 0.00 O ATOM 116 CB ASN B 14 9.995 -0.906 -1.960 1.00 0.00 C ATOM 117 CG ASN B 14 11.142 -1.781 -2.452 1.00 0.00 C ATOM 118 OD1 ASN B 14 11.662 -2.619 -1.721 1.00 0.00 O ATOM 119 ND2 ASN B 14 11.542 -1.581 -3.702 1.00 0.00 N ATOM 0 H ASN B 14 8.244 0.055 0.335 1.00 0.00 H new ATOM 0 HA ASN B 14 9.219 -2.463 -0.700 1.00 0.00 H new ATOM 0 HB2 ASN B 14 9.210 -0.885 -2.716 1.00 0.00 H new ATOM 0 HB3 ASN B 14 10.350 0.118 -1.841 1.00 0.00 H new ATOM 0 HD21 ASN B 14 12.308 -2.134 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN B 14 11.084 -0.874 -4.277 1.00 0.00 H new ATOM 126 N ASP B 15 11.098 -2.159 0.964 1.00 0.00 N ATOM 127 CA ASP B 15 12.067 -2.025 2.045 1.00 0.00 C ATOM 128 C ASP B 15 13.369 -1.372 1.573 1.00 0.00 C ATOM 129 O ASP B 15 14.209 -1.003 2.391 1.00 0.00 O ATOM 130 CB ASP B 15 12.341 -3.399 2.668 1.00 0.00 C ATOM 131 CG ASP B 15 11.117 -3.981 3.374 1.00 0.00 C ATOM 132 OD1 ASP B 15 10.095 -3.265 3.470 1.00 0.00 O ATOM 133 OD2 ASP B 15 11.220 -5.146 3.812 1.00 0.00 O ATOM 0 H ASP B 15 11.029 -3.102 0.581 1.00 0.00 H new ATOM 0 HA ASP B 15 11.639 -1.366 2.800 1.00 0.00 H new ATOM 0 HB2 ASP B 15 12.668 -4.088 1.889 1.00 0.00 H new ATOM 0 HB3 ASP B 15 13.160 -3.313 3.382 1.00 0.00 H new ATOM 138 N CYS B 16 13.539 -1.231 0.253 1.00 0.00 N ATOM 139 CA CYS B 16 14.724 -0.619 -0.329 1.00 0.00 C ATOM 140 C CYS B 16 14.656 0.909 -0.254 1.00 0.00 C ATOM 141 O CYS B 16 15.561 1.588 -0.737 1.00 0.00 O ATOM 142 CB CYS B 16 14.864 -1.076 -1.781 1.00 0.00 C ATOM 143 SG CYS B 16 15.062 -2.878 -1.827 1.00 0.00 S ATOM 0 H CYS B 16 12.854 -1.541 -0.436 1.00 0.00 H new ATOM 0 HA CYS B 16 15.597 -0.936 0.241 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.985 -0.781 -2.353 1.00 0.00 H new ATOM 0 HB3 CYS B 16 15.724 -0.592 -2.245 1.00 0.00 H new ATOM 0 HG CYS B 16 13.891 -3.443 -1.824 1.00 0.00 H new ATOM 149 N ARG B 17 13.587 1.450 0.341 1.00 0.00 N ATOM 150 CA ARG B 17 13.389 2.893 0.415 1.00 0.00 C ATOM 151 C ARG B 17 14.230 3.546 1.501 1.00 0.00 C ATOM 152 O ARG B 17 14.550 2.926 2.514 1.00 0.00 O ATOM 153 CB ARG B 17 11.908 3.212 0.618 1.00 0.00 C ATOM 154 CG ARG B 17 11.181 3.074 -0.720 1.00 0.00 C ATOM 155 CD ARG B 17 9.724 3.503 -0.598 1.00 0.00 C ATOM 156 NE ARG B 17 9.127 3.650 -1.928 1.00 0.00 N ATOM 157 CZ ARG B 17 8.722 4.811 -2.454 1.00 0.00 C ATOM 158 NH1 ARG B 17 8.767 5.937 -1.746 1.00 0.00 N ATOM 159 NH2 ARG B 17 8.270 4.842 -3.704 1.00 0.00 N ATOM 0 H ARG B 17 12.845 0.903 0.779 1.00 0.00 H new ATOM 0 HA ARG B 17 13.723 3.312 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG B 17 11.474 2.535 1.354 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.791 4.223 1.008 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.681 3.682 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG B 17 11.232 2.040 -1.060 1.00 0.00 H new ATOM 0 HD2 ARG B 17 9.167 2.765 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.659 4.446 -0.056 1.00 0.00 H new ATOM 0 HE ARG B 17 9.012 2.808 -2.492 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.114 5.923 -0.787 1.00 0.00 H new ATOM 0 HH12 ARG B 17 8.454 6.814 -2.162 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.234 3.984 -4.255 1.00 0.00 H new ATOM 0 HH22 ARG B 17 7.959 5.724 -4.112 1.00 0.00 H new ATOM 173 N ILE B 18 14.584 4.815 1.277 1.00 0.00 N ATOM 174 CA ILE B 18 15.294 5.637 2.251 1.00 0.00 C ATOM 175 C ILE B 18 14.715 7.050 2.245 1.00 0.00 C ATOM 176 O ILE B 18 13.897 7.391 1.392 1.00 0.00 O ATOM 177 CB ILE B 18 16.798 5.668 1.948 1.00 0.00 C ATOM 178 CG1 ILE B 18 17.086 6.418 0.638 1.00 0.00 C ATOM 179 CG2 ILE B 18 17.361 4.248 1.891 1.00 0.00 C ATOM 180 CD1 ILE B 18 18.588 6.635 0.458 1.00 0.00 C ATOM 0 H ILE B 18 14.382 5.302 0.404 1.00 0.00 H new ATOM 0 HA ILE B 18 15.164 5.201 3.242 1.00 0.00 H new ATOM 0 HB ILE B 18 17.293 6.206 2.756 1.00 0.00 H new ATOM 0 HG12 ILE B 18 16.692 5.851 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.573 7.380 0.643 1.00 0.00 H new ATOM 0 HG21 ILE B 18 18.429 4.288 1.675 1.00 0.00 H new ATOM 0 HG22 ILE B 18 17.203 3.755 2.850 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.853 3.687 1.107 1.00 0.00 H new ATOM 0 HD11 ILE B 18 18.769 7.168 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE B 18 18.973 7.222 1.292 1.00 0.00 H new ATOM 0 HD13 ILE B 18 19.094 5.670 0.429 1.00 0.00 H new ATOM 192 N TYR B 19 15.151 7.863 3.209 1.00 0.00 N ATOM 193 CA TYR B 19 14.647 9.216 3.410 1.00 0.00 C ATOM 194 C TYR B 19 15.668 10.316 3.134 1.00 0.00 C ATOM 195 O TYR B 19 16.873 10.098 3.260 1.00 0.00 O ATOM 196 CB TYR B 19 13.967 9.336 4.779 1.00 0.00 C ATOM 197 CG TYR B 19 14.036 10.710 5.411 1.00 0.00 C ATOM 198 CD1 TYR B 19 12.935 11.582 5.358 1.00 0.00 C ATOM 199 CD2 TYR B 19 15.210 11.110 6.070 1.00 0.00 C ATOM 200 CE1 TYR B 19 13.004 12.843 5.972 1.00 0.00 C ATOM 201 CE2 TYR B 19 15.287 12.367 6.683 1.00 0.00 C ATOM 202 CZ TYR B 19 14.186 13.242 6.628 1.00 0.00 C ATOM 203 OH TYR B 19 14.265 14.471 7.211 1.00 0.00 O ATOM 0 H TYR B 19 15.872 7.594 3.878 1.00 0.00 H new ATOM 0 HA TYR B 19 13.888 9.387 2.647 1.00 0.00 H new ATOM 0 HB2 TYR B 19 12.920 9.054 4.673 1.00 0.00 H new ATOM 0 HB3 TYR B 19 14.424 8.617 5.459 1.00 0.00 H new ATOM 0 HD1 TYR B 19 12.034 11.282 4.844 1.00 0.00 H new ATOM 0 HD2 TYR B 19 16.059 10.444 6.104 1.00 0.00 H new ATOM 0 HE1 TYR B 19 12.152 13.506 5.942 1.00 0.00 H new ATOM 0 HE2 TYR B 19 16.189 12.664 7.197 1.00 0.00 H new ATOM 0 HH TYR B 19 13.388 14.907 7.176 1.00 0.00 H new ATOM 213 N VAL B 20 15.174 11.499 2.759 1.00 0.00 N ATOM 214 CA VAL B 20 16.007 12.656 2.472 1.00 0.00 C ATOM 215 C VAL B 20 15.374 13.890 3.104 1.00 0.00 C ATOM 216 O VAL B 20 14.154 14.037 3.083 1.00 0.00 O ATOM 217 CB VAL B 20 16.163 12.827 0.954 1.00 0.00 C ATOM 218 CG1 VAL B 20 17.045 14.036 0.641 1.00 0.00 C ATOM 219 CG2 VAL B 20 16.783 11.574 0.337 1.00 0.00 C ATOM 0 H VAL B 20 14.176 11.676 2.647 1.00 0.00 H new ATOM 0 HA VAL B 20 17.002 12.515 2.895 1.00 0.00 H new ATOM 0 HB VAL B 20 15.173 12.985 0.527 1.00 0.00 H new ATOM 0 HG11 VAL B 20 17.146 14.143 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL B 20 16.589 14.936 1.054 1.00 0.00 H new ATOM 0 HG13 VAL B 20 18.030 13.892 1.085 1.00 0.00 H new ATOM 0 HG21 VAL B 20 16.887 11.712 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL B 20 17.765 11.400 0.777 1.00 0.00 H new ATOM 0 HG23 VAL B 20 16.140 10.716 0.533 1.00 0.00 H new ATOM 229 N GLY B 21 16.195 14.781 3.663 1.00 0.00 N ATOM 230 CA GLY B 21 15.699 15.957 4.360 1.00 0.00 C ATOM 231 C GLY B 21 16.635 17.150 4.201 1.00 0.00 C ATOM 232 O GLY B 21 17.719 17.023 3.627 1.00 0.00 O ATOM 0 H GLY B 21 17.212 14.705 3.643 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.712 16.217 3.977 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.580 15.728 5.419 1.00 0.00 H new ATOM 236 N ASN B 22 16.198 18.301 4.717 1.00 0.00 N ATOM 237 CA ASN B 22 16.859 19.592 4.551 1.00 0.00 C ATOM 238 C ASN B 22 16.896 20.018 3.079 1.00 0.00 C ATOM 239 O ASN B 22 16.799 19.194 2.173 1.00 0.00 O ATOM 240 CB ASN B 22 18.257 19.546 5.174 1.00 0.00 C ATOM 241 CG ASN B 22 18.870 20.937 5.268 1.00 0.00 C ATOM 242 OD1 ASN B 22 18.163 21.927 5.446 1.00 0.00 O ATOM 243 ND2 ASN B 22 20.191 21.024 5.153 1.00 0.00 N ATOM 0 H ASN B 22 15.348 18.359 5.278 1.00 0.00 H new ATOM 0 HA ASN B 22 16.281 20.352 5.076 1.00 0.00 H new ATOM 0 HB2 ASN B 22 18.199 19.104 6.169 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.902 18.902 4.576 1.00 0.00 H new ATOM 0 HD21 ASN B 22 20.649 21.933 5.212 1.00 0.00 H new ATOM 0 HD22 ASN B 22 20.747 20.181 5.006 1.00 0.00 H new ATOM 250 N LEU B 23 17.032 21.324 2.842 1.00 0.00 N ATOM 251 CA LEU B 23 17.077 21.874 1.498 1.00 0.00 C ATOM 252 C LEU B 23 18.490 21.728 0.924 1.00 0.00 C ATOM 253 O LEU B 23 19.455 22.095 1.592 1.00 0.00 O ATOM 254 CB LEU B 23 16.652 23.346 1.550 1.00 0.00 C ATOM 255 CG LEU B 23 16.431 23.922 0.147 1.00 0.00 C ATOM 256 CD1 LEU B 23 15.090 23.445 -0.414 1.00 0.00 C ATOM 257 CD2 LEU B 23 16.416 25.448 0.222 1.00 0.00 C ATOM 0 H LEU B 23 17.113 22.024 3.579 1.00 0.00 H new ATOM 0 HA LEU B 23 16.392 21.332 0.846 1.00 0.00 H new ATOM 0 HB2 LEU B 23 15.734 23.440 2.131 1.00 0.00 H new ATOM 0 HB3 LEU B 23 17.416 23.927 2.066 1.00 0.00 H new ATOM 0 HG LEU B 23 17.238 23.584 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU B 23 14.944 23.861 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU B 23 15.086 22.356 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU B 23 14.283 23.778 0.239 1.00 0.00 H new ATOM 0 HD21 LEU B 23 16.259 25.860 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU B 23 15.609 25.772 0.880 1.00 0.00 H new ATOM 0 HD23 LEU B 23 17.369 25.802 0.615 1.00 0.00 H new ATOM 269 N PRO B 24 18.633 21.198 -0.300 1.00 0.00 N ATOM 270 CA PRO B 24 19.915 21.071 -0.970 1.00 0.00 C ATOM 271 C PRO B 24 20.453 22.444 -1.380 1.00 0.00 C ATOM 272 O PRO B 24 19.706 23.424 -1.384 1.00 0.00 O ATOM 273 CB PRO B 24 19.644 20.194 -2.194 1.00 0.00 C ATOM 274 CG PRO B 24 18.159 20.414 -2.489 1.00 0.00 C ATOM 275 CD PRO B 24 17.550 20.685 -1.116 1.00 0.00 C ATOM 0 HA PRO B 24 20.673 20.631 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO B 24 20.266 20.487 -3.040 1.00 0.00 H new ATOM 0 HB3 PRO B 24 19.859 19.145 -1.988 1.00 0.00 H new ATOM 0 HG2 PRO B 24 18.006 21.254 -3.167 1.00 0.00 H new ATOM 0 HG3 PRO B 24 17.711 19.539 -2.959 1.00 0.00 H new ATOM 0 HD2 PRO B 24 16.736 21.407 -1.184 1.00 0.00 H new ATOM 0 HD3 PRO B 24 17.133 19.774 -0.686 1.00 0.00 H new ATOM 283 N PRO B 25 21.748 22.529 -1.730 1.00 0.00 N ATOM 284 CA PRO B 25 22.390 23.763 -2.161 1.00 0.00 C ATOM 285 C PRO B 25 21.679 24.386 -3.362 1.00 0.00 C ATOM 286 O PRO B 25 21.745 25.599 -3.564 1.00 0.00 O ATOM 287 CB PRO B 25 23.829 23.378 -2.510 1.00 0.00 C ATOM 288 CG PRO B 25 24.067 22.067 -1.758 1.00 0.00 C ATOM 289 CD PRO B 25 22.685 21.427 -1.709 1.00 0.00 C ATOM 0 HA PRO B 25 22.352 24.519 -1.376 1.00 0.00 H new ATOM 0 HB2 PRO B 25 23.956 23.248 -3.585 1.00 0.00 H new ATOM 0 HB3 PRO B 25 24.533 24.149 -2.197 1.00 0.00 H new ATOM 0 HG2 PRO B 25 24.785 21.432 -2.277 1.00 0.00 H new ATOM 0 HG3 PRO B 25 24.463 22.244 -0.758 1.00 0.00 H new ATOM 0 HD2 PRO B 25 22.529 20.763 -2.560 1.00 0.00 H new ATOM 0 HD3 PRO B 25 22.563 20.825 -0.809 1.00 0.00 H new ATOM 297 N ASP B 26 20.998 23.561 -4.160 1.00 0.00 N ATOM 298 CA ASP B 26 20.195 24.017 -5.285 1.00 0.00 C ATOM 299 C ASP B 26 19.131 22.979 -5.637 1.00 0.00 C ATOM 300 O ASP B 26 19.230 21.819 -5.232 1.00 0.00 O ATOM 301 CB ASP B 26 21.077 24.333 -6.502 1.00 0.00 C ATOM 302 CG ASP B 26 21.973 23.169 -6.940 1.00 0.00 C ATOM 303 OD1 ASP B 26 21.995 22.129 -6.247 1.00 0.00 O ATOM 304 OD2 ASP B 26 22.636 23.345 -7.988 1.00 0.00 O ATOM 0 H ASP B 26 20.992 22.548 -4.038 1.00 0.00 H new ATOM 0 HA ASP B 26 19.692 24.939 -4.992 1.00 0.00 H new ATOM 0 HB2 ASP B 26 20.438 24.620 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP B 26 21.704 25.194 -6.270 1.00 0.00 H new ATOM 309 N ILE B 27 18.111 23.390 -6.395 1.00 0.00 N ATOM 310 CA ILE B 27 17.032 22.499 -6.791 1.00 0.00 C ATOM 311 C ILE B 27 16.435 22.956 -8.119 1.00 0.00 C ATOM 312 O ILE B 27 16.315 24.153 -8.375 1.00 0.00 O ATOM 313 CB ILE B 27 15.977 22.436 -5.667 1.00 0.00 C ATOM 314 CG1 ILE B 27 14.788 21.546 -6.050 1.00 0.00 C ATOM 315 CG2 ILE B 27 15.433 23.831 -5.353 1.00 0.00 C ATOM 316 CD1 ILE B 27 15.230 20.097 -6.267 1.00 0.00 C ATOM 0 H ILE B 27 18.015 24.343 -6.746 1.00 0.00 H new ATOM 0 HA ILE B 27 17.417 21.491 -6.942 1.00 0.00 H new ATOM 0 HB ILE B 27 16.481 22.016 -4.796 1.00 0.00 H new ATOM 0 HG12 ILE B 27 14.033 21.585 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE B 27 14.323 21.927 -6.959 1.00 0.00 H new ATOM 0 HG21 ILE B 27 14.691 23.762 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE B 27 16.250 24.476 -5.031 1.00 0.00 H new ATOM 0 HG23 ILE B 27 14.970 24.250 -6.246 1.00 0.00 H new ATOM 0 HD11 ILE B 27 14.366 19.490 -6.537 1.00 0.00 H new ATOM 0 HD12 ILE B 27 15.967 20.058 -7.069 1.00 0.00 H new ATOM 0 HD13 ILE B 27 15.672 19.710 -5.349 1.00 0.00 H new ATOM 328 N ARG B 28 16.062 21.991 -8.968 1.00 0.00 N ATOM 329 CA ARG B 28 15.494 22.252 -10.287 1.00 0.00 C ATOM 330 C ARG B 28 14.358 21.269 -10.575 1.00 0.00 C ATOM 331 O ARG B 28 14.126 20.902 -11.725 1.00 0.00 O ATOM 332 CB ARG B 28 16.589 22.180 -11.359 1.00 0.00 C ATOM 333 CG ARG B 28 17.675 23.229 -11.104 1.00 0.00 C ATOM 334 CD ARG B 28 18.799 23.073 -12.128 1.00 0.00 C ATOM 335 NE ARG B 28 19.823 24.114 -11.958 1.00 0.00 N ATOM 336 CZ ARG B 28 20.779 24.081 -11.020 1.00 0.00 C ATOM 337 NH1 ARG B 28 20.849 23.077 -10.151 1.00 0.00 N ATOM 338 NH2 ARG B 28 21.676 25.064 -10.952 1.00 0.00 N ATOM 0 H ARG B 28 16.149 20.998 -8.752 1.00 0.00 H new ATOM 0 HA ARG B 28 15.076 23.259 -10.306 1.00 0.00 H new ATOM 0 HB2 ARG B 28 17.033 21.185 -11.364 1.00 0.00 H new ATOM 0 HB3 ARG B 28 16.150 22.338 -12.344 1.00 0.00 H new ATOM 0 HG2 ARG B 28 17.248 24.230 -11.169 1.00 0.00 H new ATOM 0 HG3 ARG B 28 18.072 23.116 -10.095 1.00 0.00 H new ATOM 0 HD2 ARG B 28 19.256 22.089 -12.023 1.00 0.00 H new ATOM 0 HD3 ARG B 28 18.386 23.126 -13.135 1.00 0.00 H new ATOM 0 HE ARG B 28 19.804 24.911 -12.594 1.00 0.00 H new ATOM 0 HH11 ARG B 28 20.169 22.318 -10.193 1.00 0.00 H new ATOM 0 HH12 ARG B 28 21.583 23.066 -9.443 1.00 0.00 H new ATOM 0 HH21 ARG B 28 21.634 25.839 -11.613 1.00 0.00 H new ATOM 0 HH22 ARG B 28 22.405 25.041 -10.239 1.00 0.00 H new ATOM 352 N THR B 29 13.660 20.848 -9.515 1.00 0.00 N ATOM 353 CA THR B 29 12.554 19.892 -9.586 1.00 0.00 C ATOM 354 C THR B 29 12.900 18.516 -10.162 1.00 0.00 C ATOM 355 O THR B 29 12.009 17.700 -10.393 1.00 0.00 O ATOM 356 CB THR B 29 11.284 20.508 -10.199 1.00 0.00 C ATOM 357 OG1 THR B 29 11.266 20.295 -11.593 1.00 0.00 O ATOM 358 CG2 THR B 29 11.188 22.010 -9.920 1.00 0.00 C ATOM 0 H THR B 29 13.853 21.169 -8.566 1.00 0.00 H new ATOM 0 HA THR B 29 12.329 19.669 -8.543 1.00 0.00 H new ATOM 0 HB THR B 29 10.429 20.018 -9.734 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.164 20.439 -11.958 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.278 22.406 -10.370 1.00 0.00 H new ATOM 0 HG22 THR B 29 11.164 22.179 -8.843 1.00 0.00 H new ATOM 0 HG23 THR B 29 12.054 22.516 -10.348 1.00 0.00 H new ATOM 366 N LYS B 30 14.192 18.254 -10.396 1.00 0.00 N ATOM 367 CA LYS B 30 14.642 16.957 -10.890 1.00 0.00 C ATOM 368 C LYS B 30 16.066 16.649 -10.432 1.00 0.00 C ATOM 369 O LYS B 30 16.558 15.545 -10.656 1.00 0.00 O ATOM 370 CB LYS B 30 14.537 16.932 -12.420 1.00 0.00 C ATOM 371 CG LYS B 30 15.499 17.934 -13.079 1.00 0.00 C ATOM 372 CD LYS B 30 16.839 17.304 -13.481 1.00 0.00 C ATOM 373 CE LYS B 30 16.653 16.163 -14.488 1.00 0.00 C ATOM 374 NZ LYS B 30 15.995 16.630 -15.724 1.00 0.00 N ATOM 0 H LYS B 30 14.942 18.929 -10.249 1.00 0.00 H new ATOM 0 HA LYS B 30 13.999 16.181 -10.475 1.00 0.00 H new ATOM 0 HB2 LYS B 30 14.756 15.927 -12.782 1.00 0.00 H new ATOM 0 HB3 LYS B 30 13.514 17.162 -12.717 1.00 0.00 H new ATOM 0 HG2 LYS B 30 15.023 18.358 -13.963 1.00 0.00 H new ATOM 0 HG3 LYS B 30 15.684 18.759 -12.390 1.00 0.00 H new ATOM 0 HD2 LYS B 30 17.485 18.068 -13.913 1.00 0.00 H new ATOM 0 HD3 LYS B 30 17.344 16.926 -12.592 1.00 0.00 H new ATOM 0 HE2 LYS B 30 17.624 15.731 -14.733 1.00 0.00 H new ATOM 0 HE3 LYS B 30 16.057 15.371 -14.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 16.052 15.887 -16.450 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 14.997 16.845 -15.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 16.472 17.488 -16.068 1.00 0.00 H new ATOM 388 N ASP B 31 16.738 17.609 -9.792 1.00 0.00 N ATOM 389 CA ASP B 31 18.090 17.394 -9.294 1.00 0.00 C ATOM 390 C ASP B 31 18.133 16.332 -8.197 1.00 0.00 C ATOM 391 O ASP B 31 19.188 15.764 -7.918 1.00 0.00 O ATOM 392 CB ASP B 31 18.683 18.715 -8.800 1.00 0.00 C ATOM 393 CG ASP B 31 18.961 19.694 -9.940 1.00 0.00 C ATOM 394 OD1 ASP B 31 18.794 19.296 -11.113 1.00 0.00 O ATOM 395 OD2 ASP B 31 19.344 20.840 -9.619 1.00 0.00 O ATOM 0 H ASP B 31 16.365 18.540 -9.609 1.00 0.00 H new ATOM 0 HA ASP B 31 18.695 17.021 -10.120 1.00 0.00 H new ATOM 0 HB2 ASP B 31 17.996 19.175 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP B 31 19.610 18.515 -8.263 1.00 0.00 H new ATOM 400 N ILE B 32 16.982 16.064 -7.576 1.00 0.00 N ATOM 401 CA ILE B 32 16.859 15.015 -6.574 1.00 0.00 C ATOM 402 C ILE B 32 16.935 13.641 -7.246 1.00 0.00 C ATOM 403 O ILE B 32 17.181 12.638 -6.579 1.00 0.00 O ATOM 404 CB ILE B 32 15.540 15.213 -5.805 1.00 0.00 C ATOM 405 CG1 ILE B 32 15.343 14.163 -4.704 1.00 0.00 C ATOM 406 CG2 ILE B 32 14.347 15.113 -6.759 1.00 0.00 C ATOM 407 CD1 ILE B 32 16.465 14.235 -3.668 1.00 0.00 C ATOM 0 H ILE B 32 16.114 16.569 -7.756 1.00 0.00 H new ATOM 0 HA ILE B 32 17.681 15.070 -5.860 1.00 0.00 H new ATOM 0 HB ILE B 32 15.597 16.201 -5.349 1.00 0.00 H new ATOM 0 HG12 ILE B 32 14.382 14.320 -4.215 1.00 0.00 H new ATOM 0 HG13 ILE B 32 15.316 13.167 -5.147 1.00 0.00 H new ATOM 0 HG21 ILE B 32 13.422 15.255 -6.201 1.00 0.00 H new ATOM 0 HG22 ILE B 32 14.429 15.882 -7.527 1.00 0.00 H new ATOM 0 HG23 ILE B 32 14.339 14.130 -7.230 1.00 0.00 H new ATOM 0 HD11 ILE B 32 16.300 13.480 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE B 32 17.423 14.053 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE B 32 16.474 15.224 -3.209 1.00 0.00 H new ATOM 419 N GLU B 33 16.729 13.591 -8.567 1.00 0.00 N ATOM 420 CA GLU B 33 16.772 12.343 -9.308 1.00 0.00 C ATOM 421 C GLU B 33 18.158 12.136 -9.904 1.00 0.00 C ATOM 422 O GLU B 33 18.640 11.009 -9.964 1.00 0.00 O ATOM 423 CB GLU B 33 15.720 12.363 -10.421 1.00 0.00 C ATOM 424 CG GLU B 33 14.328 12.671 -9.869 1.00 0.00 C ATOM 425 CD GLU B 33 13.256 12.585 -10.955 1.00 0.00 C ATOM 426 OE1 GLU B 33 12.071 12.763 -10.601 1.00 0.00 O ATOM 427 OE2 GLU B 33 13.625 12.346 -12.128 1.00 0.00 O ATOM 0 H GLU B 33 16.530 14.411 -9.140 1.00 0.00 H new ATOM 0 HA GLU B 33 16.555 11.519 -8.628 1.00 0.00 H new ATOM 0 HB2 GLU B 33 15.991 13.111 -11.166 1.00 0.00 H new ATOM 0 HB3 GLU B 33 15.706 11.398 -10.928 1.00 0.00 H new ATOM 0 HG2 GLU B 33 14.091 11.971 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU B 33 14.323 13.669 -9.431 1.00 0.00 H new ATOM 434 N ASP B 34 18.809 13.217 -10.350 1.00 0.00 N ATOM 435 CA ASP B 34 20.108 13.119 -10.993 1.00 0.00 C ATOM 436 C ASP B 34 21.221 12.719 -10.029 1.00 0.00 C ATOM 437 O ASP B 34 22.094 11.928 -10.385 1.00 0.00 O ATOM 438 CB ASP B 34 20.455 14.433 -11.700 1.00 0.00 C ATOM 439 CG ASP B 34 19.608 14.670 -12.948 1.00 0.00 C ATOM 440 OD1 ASP B 34 18.737 13.821 -13.239 1.00 0.00 O ATOM 441 OD2 ASP B 34 19.849 15.710 -13.600 1.00 0.00 O ATOM 0 H ASP B 34 18.449 14.168 -10.273 1.00 0.00 H new ATOM 0 HA ASP B 34 20.034 12.320 -11.731 1.00 0.00 H new ATOM 0 HB2 ASP B 34 20.314 15.262 -11.007 1.00 0.00 H new ATOM 0 HB3 ASP B 34 21.509 14.425 -11.977 1.00 0.00 H new ATOM 446 N VAL B 35 21.197 13.259 -8.808 1.00 0.00 N ATOM 447 CA VAL B 35 22.221 12.953 -7.817 1.00 0.00 C ATOM 448 C VAL B 35 22.024 11.526 -7.312 1.00 0.00 C ATOM 449 O VAL B 35 22.990 10.785 -7.142 1.00 0.00 O ATOM 450 CB VAL B 35 22.132 13.960 -6.666 1.00 0.00 C ATOM 451 CG1 VAL B 35 23.098 13.581 -5.544 1.00 0.00 C ATOM 452 CG2 VAL B 35 22.484 15.362 -7.166 1.00 0.00 C ATOM 0 H VAL B 35 20.479 13.909 -8.486 1.00 0.00 H new ATOM 0 HA VAL B 35 23.212 13.028 -8.265 1.00 0.00 H new ATOM 0 HB VAL B 35 21.111 13.947 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL B 35 23.020 14.308 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL B 35 22.846 12.590 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL B 35 24.118 13.574 -5.929 1.00 0.00 H new ATOM 0 HG21 VAL B 35 22.418 16.070 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL B 35 23.499 15.362 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL B 35 21.787 15.654 -7.951 1.00 0.00 H new ATOM 462 N PHE B 36 20.770 11.132 -7.070 1.00 0.00 N ATOM 463 CA PHE B 36 20.490 9.799 -6.579 1.00 0.00 C ATOM 464 C PHE B 36 20.640 8.705 -7.632 1.00 0.00 C ATOM 465 O PHE B 36 21.117 7.617 -7.316 1.00 0.00 O ATOM 466 CB PHE B 36 19.147 9.760 -5.849 1.00 0.00 C ATOM 467 CG PHE B 36 19.236 10.317 -4.444 1.00 0.00 C ATOM 468 CD1 PHE B 36 19.287 11.706 -4.239 1.00 0.00 C ATOM 469 CD2 PHE B 36 19.278 9.451 -3.342 1.00 0.00 C ATOM 470 CE1 PHE B 36 19.381 12.223 -2.939 1.00 0.00 C ATOM 471 CE2 PHE B 36 19.377 9.967 -2.042 1.00 0.00 C ATOM 472 CZ PHE B 36 19.427 11.355 -1.842 1.00 0.00 C ATOM 0 H PHE B 36 19.947 11.718 -7.208 1.00 0.00 H new ATOM 0 HA PHE B 36 21.265 9.564 -5.850 1.00 0.00 H new ATOM 0 HB2 PHE B 36 18.412 10.330 -6.417 1.00 0.00 H new ATOM 0 HB3 PHE B 36 18.789 8.731 -5.807 1.00 0.00 H new ATOM 0 HD1 PHE B 36 19.254 12.377 -5.085 1.00 0.00 H new ATOM 0 HD2 PHE B 36 19.234 8.383 -3.495 1.00 0.00 H new ATOM 0 HE1 PHE B 36 19.418 13.291 -2.784 1.00 0.00 H new ATOM 0 HE2 PHE B 36 19.415 9.297 -1.196 1.00 0.00 H new ATOM 0 HZ PHE B 36 19.501 11.754 -0.841 1.00 0.00 H new ATOM 482 N SER B 37 20.242 8.983 -8.881 1.00 0.00 N ATOM 483 CA SER B 37 20.400 8.012 -9.957 1.00 0.00 C ATOM 484 C SER B 37 21.878 7.830 -10.298 1.00 0.00 C ATOM 485 O SER B 37 22.263 6.805 -10.857 1.00 0.00 O ATOM 486 CB SER B 37 19.613 8.452 -11.189 1.00 0.00 C ATOM 487 OG SER B 37 20.162 9.638 -11.723 1.00 0.00 O ATOM 0 H SER B 37 19.813 9.864 -9.163 1.00 0.00 H new ATOM 0 HA SER B 37 20.005 7.053 -9.621 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.632 7.664 -11.941 1.00 0.00 H new ATOM 0 HB3 SER B 37 18.568 8.614 -10.923 1.00 0.00 H new ATOM 0 HG SER B 37 19.881 10.403 -11.178 1.00 0.00 H new ATOM 493 N LYS B 38 22.715 8.819 -9.962 1.00 0.00 N ATOM 494 CA LYS B 38 24.156 8.697 -10.128 1.00 0.00 C ATOM 495 C LYS B 38 24.726 7.780 -9.043 1.00 0.00 C ATOM 496 O LYS B 38 25.685 7.050 -9.290 1.00 0.00 O ATOM 497 CB LYS B 38 24.794 10.091 -10.076 1.00 0.00 C ATOM 498 CG LYS B 38 26.317 10.007 -10.215 1.00 0.00 C ATOM 499 CD LYS B 38 26.942 11.404 -10.192 1.00 0.00 C ATOM 500 CE LYS B 38 26.446 12.241 -11.366 1.00 0.00 C ATOM 501 NZ LYS B 38 27.087 13.568 -11.381 1.00 0.00 N ATOM 0 H LYS B 38 22.412 9.712 -9.573 1.00 0.00 H new ATOM 0 HA LYS B 38 24.384 8.252 -11.097 1.00 0.00 H new ATOM 0 HB2 LYS B 38 24.387 10.711 -10.875 1.00 0.00 H new ATOM 0 HB3 LYS B 38 24.538 10.576 -9.134 1.00 0.00 H new ATOM 0 HG2 LYS B 38 26.728 9.406 -9.404 1.00 0.00 H new ATOM 0 HG3 LYS B 38 26.575 9.504 -11.147 1.00 0.00 H new ATOM 0 HD2 LYS B 38 26.694 11.902 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS B 38 28.028 11.322 -10.232 1.00 0.00 H new ATOM 0 HE2 LYS B 38 26.656 11.722 -12.301 1.00 0.00 H new ATOM 0 HE3 LYS B 38 25.364 12.357 -11.302 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 26.731 14.116 -12.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 26.865 14.071 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 28.117 13.455 -11.466 1.00 0.00 H new ATOM 515 N TYR B 39 24.137 7.820 -7.846 1.00 0.00 N ATOM 516 CA TYR B 39 24.553 6.961 -6.743 1.00 0.00 C ATOM 517 C TYR B 39 24.005 5.533 -6.764 1.00 0.00 C ATOM 518 O TYR B 39 24.492 4.684 -6.023 1.00 0.00 O ATOM 519 CB TYR B 39 24.303 7.650 -5.405 1.00 0.00 C ATOM 520 CG TYR B 39 25.421 8.578 -4.982 1.00 0.00 C ATOM 521 CD1 TYR B 39 25.720 9.726 -5.732 1.00 0.00 C ATOM 522 CD2 TYR B 39 26.170 8.277 -3.836 1.00 0.00 C ATOM 523 CE1 TYR B 39 26.760 10.577 -5.328 1.00 0.00 C ATOM 524 CE2 TYR B 39 27.206 9.125 -3.422 1.00 0.00 C ATOM 525 CZ TYR B 39 27.507 10.282 -4.171 1.00 0.00 C ATOM 526 OH TYR B 39 28.514 11.112 -3.777 1.00 0.00 O ATOM 0 H TYR B 39 23.364 8.445 -7.618 1.00 0.00 H new ATOM 0 HA TYR B 39 25.624 6.819 -6.885 1.00 0.00 H new ATOM 0 HB2 TYR B 39 23.375 8.218 -5.466 1.00 0.00 H new ATOM 0 HB3 TYR B 39 24.162 6.891 -4.636 1.00 0.00 H new ATOM 0 HD1 TYR B 39 25.150 9.954 -6.620 1.00 0.00 H new ATOM 0 HD2 TYR B 39 25.947 7.386 -3.268 1.00 0.00 H new ATOM 0 HE1 TYR B 39 26.988 11.460 -5.906 1.00 0.00 H new ATOM 0 HE2 TYR B 39 27.772 8.893 -2.532 1.00 0.00 H new ATOM 0 HH TYR B 39 28.925 10.762 -2.959 1.00 0.00 H new ATOM 536 N GLY B 40 23.002 5.254 -7.600 1.00 0.00 N ATOM 537 CA GLY B 40 22.445 3.909 -7.676 1.00 0.00 C ATOM 538 C GLY B 40 21.250 3.836 -8.624 1.00 0.00 C ATOM 539 O GLY B 40 20.803 4.851 -9.157 1.00 0.00 O ATOM 0 H GLY B 40 22.567 5.933 -8.224 1.00 0.00 H new ATOM 0 HA2 GLY B 40 23.216 3.216 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY B 40 22.138 3.587 -6.681 1.00 0.00 H new ATOM 543 N ALA B 41 20.735 2.623 -8.830 1.00 0.00 N ATOM 544 CA ALA B 41 19.610 2.378 -9.720 1.00 0.00 C ATOM 545 C ALA B 41 18.288 2.673 -9.010 1.00 0.00 C ATOM 546 O ALA B 41 17.613 1.756 -8.546 1.00 0.00 O ATOM 547 CB ALA B 41 19.670 0.927 -10.200 1.00 0.00 C ATOM 0 H ALA B 41 21.092 1.781 -8.379 1.00 0.00 H new ATOM 0 HA ALA B 41 19.669 3.043 -10.582 1.00 0.00 H new ATOM 0 HB1 ALA B 41 18.832 0.730 -10.868 1.00 0.00 H new ATOM 0 HB2 ALA B 41 20.606 0.758 -10.732 1.00 0.00 H new ATOM 0 HB3 ALA B 41 19.615 0.257 -9.342 1.00 0.00 H new ATOM 553 N ILE B 42 17.921 3.954 -8.929 1.00 0.00 N ATOM 554 CA ILE B 42 16.631 4.365 -8.384 1.00 0.00 C ATOM 555 C ILE B 42 15.508 3.863 -9.288 1.00 0.00 C ATOM 556 O ILE B 42 15.635 3.895 -10.512 1.00 0.00 O ATOM 557 CB ILE B 42 16.582 5.895 -8.231 1.00 0.00 C ATOM 558 CG1 ILE B 42 17.202 6.330 -6.901 1.00 0.00 C ATOM 559 CG2 ILE B 42 15.140 6.408 -8.257 1.00 0.00 C ATOM 560 CD1 ILE B 42 18.648 5.866 -6.783 1.00 0.00 C ATOM 0 H ILE B 42 18.508 4.729 -9.238 1.00 0.00 H new ATOM 0 HA ILE B 42 16.498 3.926 -7.395 1.00 0.00 H new ATOM 0 HB ILE B 42 17.143 6.312 -9.067 1.00 0.00 H new ATOM 0 HG12 ILE B 42 17.159 7.416 -6.816 1.00 0.00 H new ATOM 0 HG13 ILE B 42 16.619 5.922 -6.075 1.00 0.00 H new ATOM 0 HG21 ILE B 42 15.138 7.492 -8.147 1.00 0.00 H new ATOM 0 HG22 ILE B 42 14.675 6.139 -9.205 1.00 0.00 H new ATOM 0 HG23 ILE B 42 14.579 5.959 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE B 42 19.058 6.192 -5.827 1.00 0.00 H new ATOM 0 HD12 ILE B 42 18.687 4.778 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE B 42 19.235 6.295 -7.595 1.00 0.00 H new ATOM 572 N ARG B 43 14.410 3.400 -8.683 1.00 0.00 N ATOM 573 CA ARG B 43 13.237 2.941 -9.416 1.00 0.00 C ATOM 574 C ARG B 43 12.075 3.913 -9.239 1.00 0.00 C ATOM 575 O ARG B 43 11.223 4.014 -10.118 1.00 0.00 O ATOM 576 CB ARG B 43 12.835 1.547 -8.920 1.00 0.00 C ATOM 577 CG ARG B 43 13.955 0.507 -9.069 1.00 0.00 C ATOM 578 CD ARG B 43 14.249 0.182 -10.538 1.00 0.00 C ATOM 579 NE ARG B 43 15.063 1.227 -11.172 1.00 0.00 N ATOM 580 CZ ARG B 43 15.849 1.033 -12.235 1.00 0.00 C ATOM 581 NH1 ARG B 43 15.926 -0.160 -12.815 1.00 0.00 N ATOM 582 NH2 ARG B 43 16.564 2.045 -12.720 1.00 0.00 N ATOM 0 H ARG B 43 14.314 3.335 -7.670 1.00 0.00 H new ATOM 0 HA ARG B 43 13.484 2.893 -10.477 1.00 0.00 H new ATOM 0 HB2 ARG B 43 12.544 1.611 -7.871 1.00 0.00 H new ATOM 0 HB3 ARG B 43 11.959 1.210 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG B 43 14.861 0.880 -8.592 1.00 0.00 H new ATOM 0 HG3 ARG B 43 13.673 -0.407 -8.546 1.00 0.00 H new ATOM 0 HD2 ARG B 43 14.769 -0.774 -10.602 1.00 0.00 H new ATOM 0 HD3 ARG B 43 13.311 0.072 -11.081 1.00 0.00 H new ATOM 0 HE ARG B 43 15.026 2.165 -10.774 1.00 0.00 H new ATOM 0 HH11 ARG B 43 15.381 -0.941 -12.449 1.00 0.00 H new ATOM 0 HH12 ARG B 43 16.530 -0.295 -13.626 1.00 0.00 H new ATOM 0 HH21 ARG B 43 16.511 2.964 -12.280 1.00 0.00 H new ATOM 0 HH22 ARG B 43 17.165 1.902 -13.531 1.00 0.00 H new ATOM 596 N ASP B 44 12.040 4.630 -8.108 1.00 0.00 N ATOM 597 CA ASP B 44 10.975 5.585 -7.803 1.00 0.00 C ATOM 598 C ASP B 44 11.417 6.734 -6.893 1.00 0.00 C ATOM 599 O ASP B 44 12.457 6.657 -6.239 1.00 0.00 O ATOM 600 CB ASP B 44 9.739 4.870 -7.241 1.00 0.00 C ATOM 601 CG ASP B 44 8.841 4.296 -8.339 1.00 0.00 C ATOM 602 OD1 ASP B 44 8.667 4.986 -9.369 1.00 0.00 O ATOM 603 OD2 ASP B 44 8.340 3.168 -8.136 1.00 0.00 O ATOM 0 H ASP B 44 12.752 4.562 -7.380 1.00 0.00 H new ATOM 0 HA ASP B 44 10.708 6.050 -8.752 1.00 0.00 H new ATOM 0 HB2 ASP B 44 10.059 4.064 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP B 44 9.163 5.570 -6.635 1.00 0.00 H new ATOM 608 N ILE B 45 10.611 7.800 -6.858 1.00 0.00 N ATOM 609 CA ILE B 45 10.903 9.000 -6.086 1.00 0.00 C ATOM 610 C ILE B 45 9.605 9.538 -5.487 1.00 0.00 C ATOM 611 O ILE B 45 8.517 9.210 -5.959 1.00 0.00 O ATOM 612 CB ILE B 45 11.566 10.031 -7.012 1.00 0.00 C ATOM 613 CG1 ILE B 45 12.345 11.084 -6.219 1.00 0.00 C ATOM 614 CG2 ILE B 45 10.514 10.741 -7.864 1.00 0.00 C ATOM 615 CD1 ILE B 45 13.619 10.467 -5.645 1.00 0.00 C ATOM 0 H ILE B 45 9.731 7.849 -7.371 1.00 0.00 H new ATOM 0 HA ILE B 45 11.587 8.779 -5.267 1.00 0.00 H new ATOM 0 HB ILE B 45 12.260 9.485 -7.651 1.00 0.00 H new ATOM 0 HG12 ILE B 45 12.597 11.925 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE B 45 11.725 11.476 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE B 45 11.002 11.468 -8.514 1.00 0.00 H new ATOM 0 HG22 ILE B 45 9.984 10.008 -8.473 1.00 0.00 H new ATOM 0 HG23 ILE B 45 9.805 11.254 -7.214 1.00 0.00 H new ATOM 0 HD11 ILE B 45 14.168 11.222 -5.082 1.00 0.00 H new ATOM 0 HD12 ILE B 45 13.357 9.641 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE B 45 14.243 10.097 -6.459 1.00 0.00 H new ATOM 627 N ASP B 46 9.716 10.373 -4.447 1.00 0.00 N ATOM 628 CA ASP B 46 8.559 11.004 -3.831 1.00 0.00 C ATOM 629 C ASP B 46 9.008 12.314 -3.175 1.00 0.00 C ATOM 630 O ASP B 46 9.009 12.430 -1.949 1.00 0.00 O ATOM 631 CB ASP B 46 7.964 10.050 -2.795 1.00 0.00 C ATOM 632 CG ASP B 46 6.595 10.517 -2.304 1.00 0.00 C ATOM 633 OD1 ASP B 46 6.070 11.493 -2.877 1.00 0.00 O ATOM 634 OD2 ASP B 46 6.086 9.887 -1.351 1.00 0.00 O ATOM 0 H ASP B 46 10.606 10.624 -4.017 1.00 0.00 H new ATOM 0 HA ASP B 46 7.795 11.226 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP B 46 7.873 9.055 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP B 46 8.644 9.966 -1.947 1.00 0.00 H new ATOM 639 N LEU B 47 9.387 13.299 -3.992 1.00 0.00 N ATOM 640 CA LEU B 47 9.748 14.625 -3.505 1.00 0.00 C ATOM 641 C LEU B 47 8.503 15.337 -2.976 1.00 0.00 C ATOM 642 O LEU B 47 7.464 15.343 -3.637 1.00 0.00 O ATOM 643 CB LEU B 47 10.403 15.414 -4.643 1.00 0.00 C ATOM 644 CG LEU B 47 10.624 16.892 -4.281 1.00 0.00 C ATOM 645 CD1 LEU B 47 11.608 17.037 -3.120 1.00 0.00 C ATOM 646 CD2 LEU B 47 11.193 17.626 -5.493 1.00 0.00 C ATOM 0 H LEU B 47 9.451 13.197 -5.005 1.00 0.00 H new ATOM 0 HA LEU B 47 10.461 14.545 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU B 47 11.360 14.957 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU B 47 9.777 15.351 -5.533 1.00 0.00 H new ATOM 0 HG LEU B 47 9.665 17.316 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU B 47 11.743 18.093 -2.888 1.00 0.00 H new ATOM 0 HD12 LEU B 47 11.216 16.520 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU B 47 12.567 16.601 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU B 47 11.352 18.675 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU B 47 12.143 17.174 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU B 47 10.492 17.554 -6.324 1.00 0.00 H new ATOM 658 N LYS B 48 8.607 15.945 -1.787 1.00 0.00 N ATOM 659 CA LYS B 48 7.492 16.630 -1.160 1.00 0.00 C ATOM 660 C LYS B 48 7.880 18.061 -0.793 1.00 0.00 C ATOM 661 O LYS B 48 8.901 18.287 -0.148 1.00 0.00 O ATOM 662 CB LYS B 48 7.077 15.847 0.083 1.00 0.00 C ATOM 663 CG LYS B 48 6.505 14.479 -0.296 1.00 0.00 C ATOM 664 CD LYS B 48 6.190 13.682 0.970 1.00 0.00 C ATOM 665 CE LYS B 48 5.809 12.242 0.630 1.00 0.00 C ATOM 666 NZ LYS B 48 4.648 12.183 -0.278 1.00 0.00 N ATOM 0 H LYS B 48 9.469 15.970 -1.242 1.00 0.00 H new ATOM 0 HA LYS B 48 6.654 16.684 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS B 48 7.938 15.716 0.739 1.00 0.00 H new ATOM 0 HB3 LYS B 48 6.333 16.414 0.643 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.601 14.605 -0.892 1.00 0.00 H new ATOM 0 HG3 LYS B 48 7.220 13.933 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS B 48 7.056 13.686 1.632 1.00 0.00 H new ATOM 0 HD3 LYS B 48 5.373 14.160 1.511 1.00 0.00 H new ATOM 0 HE2 LYS B 48 6.659 11.741 0.167 1.00 0.00 H new ATOM 0 HE3 LYS B 48 5.581 11.700 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 4.272 11.213 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.910 12.833 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.942 12.461 -1.236 1.00 0.00 H new ATOM 680 N ASN B 49 7.053 19.023 -1.208 1.00 0.00 N ATOM 681 CA ASN B 49 7.244 20.424 -0.860 1.00 0.00 C ATOM 682 C ASN B 49 5.951 21.223 -1.056 1.00 0.00 C ATOM 683 O ASN B 49 5.662 22.125 -0.274 1.00 0.00 O ATOM 684 CB ASN B 49 8.388 21.026 -1.693 1.00 0.00 C ATOM 685 CG ASN B 49 8.332 20.645 -3.170 1.00 0.00 C ATOM 686 OD1 ASN B 49 7.311 20.198 -3.682 1.00 0.00 O ATOM 687 ND2 ASN B 49 9.449 20.827 -3.867 1.00 0.00 N ATOM 0 H ASN B 49 6.236 18.849 -1.793 1.00 0.00 H new ATOM 0 HA ASN B 49 7.512 20.481 0.195 1.00 0.00 H new ATOM 0 HB2 ASN B 49 8.358 22.112 -1.605 1.00 0.00 H new ATOM 0 HB3 ASN B 49 9.341 20.698 -1.277 1.00 0.00 H new ATOM 0 HD21 ASN B 49 9.475 20.593 -4.859 1.00 0.00 H new ATOM 0 HD22 ASN B 49 10.280 21.201 -3.409 1.00 0.00 H new ATOM 694 N ARG B 50 5.172 20.890 -2.093 1.00 0.00 N ATOM 695 CA ARG B 50 3.886 21.534 -2.354 1.00 0.00 C ATOM 696 C ARG B 50 2.778 20.880 -1.526 1.00 0.00 C ATOM 697 O ARG B 50 1.733 21.488 -1.293 1.00 0.00 O ATOM 698 CB ARG B 50 3.590 21.446 -3.858 1.00 0.00 C ATOM 699 CG ARG B 50 2.216 22.022 -4.228 1.00 0.00 C ATOM 700 CD ARG B 50 2.098 23.482 -3.775 1.00 0.00 C ATOM 701 NE ARG B 50 0.809 24.055 -4.174 1.00 0.00 N ATOM 702 CZ ARG B 50 -0.322 23.905 -3.481 1.00 0.00 C ATOM 703 NH1 ARG B 50 -0.341 23.184 -2.365 1.00 0.00 N ATOM 704 NH2 ARG B 50 -1.446 24.481 -3.904 1.00 0.00 N ATOM 0 H ARG B 50 5.418 20.168 -2.771 1.00 0.00 H new ATOM 0 HA ARG B 50 3.928 22.583 -2.060 1.00 0.00 H new ATOM 0 HB2 ARG B 50 4.364 21.982 -4.408 1.00 0.00 H new ATOM 0 HB3 ARG B 50 3.639 20.404 -4.173 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.068 21.958 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.430 21.427 -3.762 1.00 0.00 H new ATOM 0 HD2 ARG B 50 2.206 23.540 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG B 50 2.909 24.067 -4.208 1.00 0.00 H new ATOM 0 HE ARG B 50 0.774 24.602 -5.034 1.00 0.00 H new ATOM 0 HH11 ARG B 50 0.514 22.739 -2.031 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -1.210 23.075 -1.843 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.443 25.038 -4.759 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -2.309 24.365 -3.373 1.00 0.00 H new ATOM 718 N ARG B 51 3.007 19.642 -1.080 1.00 0.00 N ATOM 719 CA ARG B 51 2.052 18.894 -0.270 1.00 0.00 C ATOM 720 C ARG B 51 2.151 19.271 1.211 1.00 0.00 C ATOM 721 O ARG B 51 1.616 18.567 2.066 1.00 0.00 O ATOM 722 CB ARG B 51 2.235 17.392 -0.503 1.00 0.00 C ATOM 723 CG ARG B 51 1.688 17.032 -1.888 1.00 0.00 C ATOM 724 CD ARG B 51 1.928 15.553 -2.205 1.00 0.00 C ATOM 725 NE ARG B 51 3.318 15.309 -2.602 1.00 0.00 N ATOM 726 CZ ARG B 51 3.781 14.108 -2.956 1.00 0.00 C ATOM 727 NH1 ARG B 51 2.988 13.044 -2.938 1.00 0.00 N ATOM 728 NH2 ARG B 51 5.049 13.964 -3.330 1.00 0.00 N ATOM 0 H ARG B 51 3.868 19.130 -1.274 1.00 0.00 H new ATOM 0 HA ARG B 51 1.042 19.161 -0.582 1.00 0.00 H new ATOM 0 HB2 ARG B 51 3.290 17.126 -0.434 1.00 0.00 H new ATOM 0 HB3 ARG B 51 1.712 16.825 0.267 1.00 0.00 H new ATOM 0 HG2 ARG B 51 0.620 17.248 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG B 51 2.168 17.652 -2.645 1.00 0.00 H new ATOM 0 HD2 ARG B 51 1.686 14.948 -1.331 1.00 0.00 H new ATOM 0 HD3 ARG B 51 1.259 15.238 -3.006 1.00 0.00 H new ATOM 0 HE ARG B 51 3.965 16.098 -2.608 1.00 0.00 H new ATOM 0 HH11 ARG B 51 2.014 13.139 -2.652 1.00 0.00 H new ATOM 0 HH12 ARG B 51 3.353 12.131 -3.211 1.00 0.00 H new ATOM 0 HH21 ARG B 51 5.671 14.772 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG B 51 5.400 13.045 -3.600 1.00 0.00 H new ATOM 742 N GLY B 52 2.835 20.379 1.514 1.00 0.00 N ATOM 743 CA GLY B 52 2.946 20.899 2.870 1.00 0.00 C ATOM 744 C GLY B 52 4.170 20.336 3.592 1.00 0.00 C ATOM 745 O GLY B 52 4.867 19.465 3.070 1.00 0.00 O ATOM 0 H GLY B 52 3.328 20.939 0.818 1.00 0.00 H new ATOM 0 HA2 GLY B 52 3.010 21.987 2.839 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.045 20.649 3.431 1.00 0.00 H new ATOM 749 N GLY B 53 4.421 20.840 4.804 1.00 0.00 N ATOM 750 CA GLY B 53 5.564 20.429 5.611 1.00 0.00 C ATOM 751 C GLY B 53 6.871 21.002 5.064 1.00 0.00 C ATOM 752 O GLY B 53 6.878 21.662 4.023 1.00 0.00 O ATOM 0 H GLY B 53 3.834 21.545 5.250 1.00 0.00 H new ATOM 0 HA2 GLY B 53 5.422 20.761 6.640 1.00 0.00 H new ATOM 0 HA3 GLY B 53 5.623 19.341 5.632 1.00 0.00 H new ATOM 756 N PRO B 54 7.983 20.753 5.764 1.00 0.00 N ATOM 757 CA PRO B 54 9.309 21.170 5.343 1.00 0.00 C ATOM 758 C PRO B 54 9.727 20.386 4.099 1.00 0.00 C ATOM 759 O PRO B 54 9.151 19.337 3.819 1.00 0.00 O ATOM 760 CB PRO B 54 10.228 20.864 6.524 1.00 0.00 C ATOM 761 CG PRO B 54 9.506 19.743 7.275 1.00 0.00 C ATOM 762 CD PRO B 54 8.027 20.016 7.010 1.00 0.00 C ATOM 0 HA PRO B 54 9.349 22.227 5.080 1.00 0.00 H new ATOM 0 HB2 PRO B 54 11.216 20.548 6.189 1.00 0.00 H new ATOM 0 HB3 PRO B 54 10.371 21.740 7.156 1.00 0.00 H new ATOM 0 HG2 PRO B 54 9.803 18.761 6.908 1.00 0.00 H new ATOM 0 HG3 PRO B 54 9.732 19.766 8.341 1.00 0.00 H new ATOM 0 HD2 PRO B 54 7.464 19.086 6.935 1.00 0.00 H new ATOM 0 HD3 PRO B 54 7.583 20.592 7.822 1.00 0.00 H new ATOM 770 N PRO B 55 10.721 20.880 3.351 1.00 0.00 N ATOM 771 CA PRO B 55 11.224 20.214 2.167 1.00 0.00 C ATOM 772 C PRO B 55 11.939 18.919 2.552 1.00 0.00 C ATOM 773 O PRO B 55 12.907 18.946 3.312 1.00 0.00 O ATOM 774 CB PRO B 55 12.189 21.206 1.518 1.00 0.00 C ATOM 775 CG PRO B 55 12.634 22.106 2.676 1.00 0.00 C ATOM 776 CD PRO B 55 11.429 22.118 3.614 1.00 0.00 C ATOM 0 HA PRO B 55 10.424 19.936 1.481 1.00 0.00 H new ATOM 0 HB2 PRO B 55 13.037 20.696 1.061 1.00 0.00 H new ATOM 0 HB3 PRO B 55 11.701 21.781 0.731 1.00 0.00 H new ATOM 0 HG2 PRO B 55 13.522 21.712 3.171 1.00 0.00 H new ATOM 0 HG3 PRO B 55 12.881 23.110 2.330 1.00 0.00 H new ATOM 0 HD2 PRO B 55 11.743 22.177 4.656 1.00 0.00 H new ATOM 0 HD3 PRO B 55 10.792 22.982 3.424 1.00 0.00 H new ATOM 784 N PHE B 56 11.460 17.787 2.029 1.00 0.00 N ATOM 785 CA PHE B 56 12.068 16.486 2.278 1.00 0.00 C ATOM 786 C PHE B 56 11.545 15.567 1.174 1.00 0.00 C ATOM 787 O PHE B 56 10.654 15.948 0.412 1.00 0.00 O ATOM 788 CB PHE B 56 11.619 15.984 3.657 1.00 0.00 C ATOM 789 CG PHE B 56 10.271 15.294 3.705 1.00 0.00 C ATOM 790 CD1 PHE B 56 10.201 13.929 4.016 1.00 0.00 C ATOM 791 CD2 PHE B 56 9.094 16.015 3.465 1.00 0.00 C ATOM 792 CE1 PHE B 56 8.960 13.296 4.149 1.00 0.00 C ATOM 793 CE2 PHE B 56 7.850 15.381 3.572 1.00 0.00 C ATOM 794 CZ PHE B 56 7.786 14.021 3.921 1.00 0.00 C ATOM 0 H PHE B 56 10.641 17.751 1.422 1.00 0.00 H new ATOM 0 HA PHE B 56 13.157 16.523 2.272 1.00 0.00 H new ATOM 0 HB2 PHE B 56 12.373 15.292 4.033 1.00 0.00 H new ATOM 0 HB3 PHE B 56 11.595 16.833 4.341 1.00 0.00 H new ATOM 0 HD1 PHE B 56 11.110 13.362 4.154 1.00 0.00 H new ATOM 0 HD2 PHE B 56 9.146 17.060 3.197 1.00 0.00 H new ATOM 0 HE1 PHE B 56 8.909 12.253 4.426 1.00 0.00 H new ATOM 0 HE2 PHE B 56 6.942 15.936 3.387 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.826 13.534 4.013 1.00 0.00 H new ATOM 804 N ALA B 57 12.092 14.353 1.082 1.00 0.00 N ATOM 805 CA ALA B 57 11.727 13.444 0.011 1.00 0.00 C ATOM 806 C ALA B 57 11.988 11.990 0.392 1.00 0.00 C ATOM 807 O ALA B 57 12.703 11.701 1.348 1.00 0.00 O ATOM 808 CB ALA B 57 12.528 13.803 -1.239 1.00 0.00 C ATOM 0 H ALA B 57 12.784 13.985 1.735 1.00 0.00 H new ATOM 0 HA ALA B 57 10.659 13.547 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA B 57 12.261 13.125 -2.050 1.00 0.00 H new ATOM 0 HB2 ALA B 57 12.303 14.828 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA B 57 13.593 13.712 -1.027 1.00 0.00 H new ATOM 814 N PHE B 58 11.393 11.082 -0.380 1.00 0.00 N ATOM 815 CA PHE B 58 11.690 9.661 -0.323 1.00 0.00 C ATOM 816 C PHE B 58 12.277 9.123 -1.617 1.00 0.00 C ATOM 817 O PHE B 58 11.999 9.649 -2.696 1.00 0.00 O ATOM 818 CB PHE B 58 10.496 8.851 0.177 1.00 0.00 C ATOM 819 CG PHE B 58 10.493 8.650 1.675 1.00 0.00 C ATOM 820 CD1 PHE B 58 10.059 9.670 2.532 1.00 0.00 C ATOM 821 CD2 PHE B 58 10.931 7.427 2.201 1.00 0.00 C ATOM 822 CE1 PHE B 58 10.084 9.470 3.921 1.00 0.00 C ATOM 823 CE2 PHE B 58 10.969 7.234 3.587 1.00 0.00 C ATOM 824 CZ PHE B 58 10.542 8.256 4.444 1.00 0.00 C ATOM 0 H PHE B 58 10.682 11.321 -1.071 1.00 0.00 H new ATOM 0 HA PHE B 58 12.479 9.538 0.418 1.00 0.00 H new ATOM 0 HB2 PHE B 58 9.575 9.356 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE B 58 10.496 7.877 -0.313 1.00 0.00 H new ATOM 0 HD1 PHE B 58 9.707 10.606 2.125 1.00 0.00 H new ATOM 0 HD2 PHE B 58 11.239 6.633 1.537 1.00 0.00 H new ATOM 0 HE1 PHE B 58 9.750 10.253 4.586 1.00 0.00 H new ATOM 0 HE2 PHE B 58 11.327 6.300 3.994 1.00 0.00 H new ATOM 0 HZ PHE B 58 10.566 8.106 5.513 1.00 0.00 H new ATOM 834 N VAL B 59 13.089 8.071 -1.505 1.00 0.00 N ATOM 835 CA VAL B 59 13.776 7.475 -2.634 1.00 0.00 C ATOM 836 C VAL B 59 13.622 5.961 -2.585 1.00 0.00 C ATOM 837 O VAL B 59 13.652 5.380 -1.500 1.00 0.00 O ATOM 838 CB VAL B 59 15.255 7.877 -2.595 1.00 0.00 C ATOM 839 CG1 VAL B 59 15.982 7.317 -3.813 1.00 0.00 C ATOM 840 CG2 VAL B 59 15.408 9.397 -2.570 1.00 0.00 C ATOM 0 H VAL B 59 13.285 7.610 -0.617 1.00 0.00 H new ATOM 0 HA VAL B 59 13.341 7.833 -3.567 1.00 0.00 H new ATOM 0 HB VAL B 59 15.692 7.465 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL B 59 17.032 7.608 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL B 59 15.907 6.230 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL B 59 15.528 7.712 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL B 59 16.466 9.656 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL B 59 14.953 9.823 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL B 59 14.913 9.798 -1.685 1.00 0.00 H new ATOM 850 N GLU B 60 13.458 5.319 -3.742 1.00 0.00 N ATOM 851 CA GLU B 60 13.312 3.874 -3.806 1.00 0.00 C ATOM 852 C GLU B 60 14.368 3.272 -4.728 1.00 0.00 C ATOM 853 O GLU B 60 14.396 3.568 -5.921 1.00 0.00 O ATOM 854 CB GLU B 60 11.901 3.521 -4.283 1.00 0.00 C ATOM 855 CG GLU B 60 11.752 2.004 -4.427 1.00 0.00 C ATOM 856 CD GLU B 60 10.307 1.581 -4.690 1.00 0.00 C ATOM 857 OE1 GLU B 60 9.405 2.431 -4.519 1.00 0.00 O ATOM 858 OE2 GLU B 60 10.121 0.402 -5.065 1.00 0.00 O ATOM 0 H GLU B 60 13.424 5.784 -4.649 1.00 0.00 H new ATOM 0 HA GLU B 60 13.459 3.453 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU B 60 11.165 3.900 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU B 60 11.701 4.005 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.384 1.656 -5.244 1.00 0.00 H new ATOM 0 HG3 GLU B 60 12.110 1.519 -3.519 1.00 0.00 H new ATOM 865 N PHE B 61 15.232 2.425 -4.162 1.00 0.00 N ATOM 866 CA PHE B 61 16.266 1.731 -4.906 1.00 0.00 C ATOM 867 C PHE B 61 15.825 0.372 -5.454 1.00 0.00 C ATOM 868 O PHE B 61 14.874 -0.223 -4.948 1.00 0.00 O ATOM 869 CB PHE B 61 17.530 1.595 -4.053 1.00 0.00 C ATOM 870 CG PHE B 61 18.288 2.890 -3.867 1.00 0.00 C ATOM 871 CD1 PHE B 61 19.468 3.126 -4.586 1.00 0.00 C ATOM 872 CD2 PHE B 61 17.812 3.857 -2.968 1.00 0.00 C ATOM 873 CE1 PHE B 61 20.173 4.326 -4.402 1.00 0.00 C ATOM 874 CE2 PHE B 61 18.512 5.057 -2.792 1.00 0.00 C ATOM 875 CZ PHE B 61 19.695 5.288 -3.506 1.00 0.00 C ATOM 0 H PHE B 61 15.227 2.205 -3.166 1.00 0.00 H new ATOM 0 HA PHE B 61 16.482 2.344 -5.781 1.00 0.00 H new ATOM 0 HB2 PHE B 61 17.255 1.203 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE B 61 18.191 0.862 -4.515 1.00 0.00 H new ATOM 0 HD1 PHE B 61 19.835 2.385 -5.281 1.00 0.00 H new ATOM 0 HD2 PHE B 61 16.905 3.675 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE B 61 21.085 4.506 -4.952 1.00 0.00 H new ATOM 0 HE2 PHE B 61 18.140 5.804 -2.106 1.00 0.00 H new ATOM 0 HZ PHE B 61 20.239 6.210 -3.364 1.00 0.00 H new ATOM 885 N GLU B 62 16.514 -0.120 -6.488 1.00 0.00 N ATOM 886 CA GLU B 62 16.267 -1.458 -7.009 1.00 0.00 C ATOM 887 C GLU B 62 16.766 -2.510 -6.014 1.00 0.00 C ATOM 888 O GLU B 62 16.288 -3.645 -6.011 1.00 0.00 O ATOM 889 CB GLU B 62 16.972 -1.601 -8.363 1.00 0.00 C ATOM 890 CG GLU B 62 16.768 -3.004 -8.940 1.00 0.00 C ATOM 891 CD GLU B 62 17.368 -3.136 -10.341 1.00 0.00 C ATOM 892 OE1 GLU B 62 17.866 -2.111 -10.860 1.00 0.00 O ATOM 893 OE2 GLU B 62 17.322 -4.267 -10.877 1.00 0.00 O ATOM 0 H GLU B 62 17.247 0.393 -6.978 1.00 0.00 H new ATOM 0 HA GLU B 62 15.197 -1.613 -7.148 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.585 -0.857 -9.059 1.00 0.00 H new ATOM 0 HB3 GLU B 62 18.037 -1.403 -8.245 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.226 -3.739 -8.278 1.00 0.00 H new ATOM 0 HG3 GLU B 62 15.702 -3.230 -8.978 1.00 0.00 H new ATOM 900 N ASP B 63 17.727 -2.131 -5.168 1.00 0.00 N ATOM 901 CA ASP B 63 18.282 -3.003 -4.146 1.00 0.00 C ATOM 902 C ASP B 63 18.818 -2.212 -2.947 1.00 0.00 C ATOM 903 O ASP B 63 19.169 -1.038 -3.087 1.00 0.00 O ATOM 904 CB ASP B 63 19.353 -3.926 -4.749 1.00 0.00 C ATOM 905 CG ASP B 63 20.356 -3.191 -5.639 1.00 0.00 C ATOM 906 OD1 ASP B 63 20.949 -3.875 -6.502 1.00 0.00 O ATOM 907 OD2 ASP B 63 20.528 -1.964 -5.455 1.00 0.00 O ATOM 0 H ASP B 63 18.142 -1.199 -5.179 1.00 0.00 H new ATOM 0 HA ASP B 63 17.475 -3.629 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP B 63 19.891 -4.423 -3.941 1.00 0.00 H new ATOM 0 HB3 ASP B 63 18.864 -4.706 -5.333 1.00 0.00 H new ATOM 912 N PRO B 64 18.889 -2.838 -1.763 1.00 0.00 N ATOM 913 CA PRO B 64 19.379 -2.197 -0.557 1.00 0.00 C ATOM 914 C PRO B 64 20.895 -1.988 -0.613 1.00 0.00 C ATOM 915 O PRO B 64 21.460 -1.333 0.263 1.00 0.00 O ATOM 916 CB PRO B 64 19.000 -3.144 0.580 1.00 0.00 C ATOM 917 CG PRO B 64 18.944 -4.521 -0.087 1.00 0.00 C ATOM 918 CD PRO B 64 18.486 -4.210 -1.512 1.00 0.00 C ATOM 0 HA PRO B 64 18.946 -1.206 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO B 64 19.737 -3.119 1.383 1.00 0.00 H new ATOM 0 HB3 PRO B 64 18.040 -2.875 1.020 1.00 0.00 H new ATOM 0 HG2 PRO B 64 19.917 -5.012 -0.076 1.00 0.00 H new ATOM 0 HG3 PRO B 64 18.246 -5.186 0.423 1.00 0.00 H new ATOM 0 HD2 PRO B 64 18.946 -4.891 -2.228 1.00 0.00 H new ATOM 0 HD3 PRO B 64 17.407 -4.325 -1.610 1.00 0.00 H new ATOM 926 N ARG B 65 21.559 -2.542 -1.635 1.00 0.00 N ATOM 927 CA ARG B 65 23.009 -2.461 -1.757 1.00 0.00 C ATOM 928 C ARG B 65 23.419 -1.029 -2.091 1.00 0.00 C ATOM 929 O ARG B 65 24.243 -0.442 -1.391 1.00 0.00 O ATOM 930 CB ARG B 65 23.468 -3.435 -2.851 1.00 0.00 C ATOM 931 CG ARG B 65 24.855 -4.026 -2.557 1.00 0.00 C ATOM 932 CD ARG B 65 25.914 -2.956 -2.289 1.00 0.00 C ATOM 933 NE ARG B 65 26.006 -1.986 -3.384 1.00 0.00 N ATOM 934 CZ ARG B 65 26.682 -0.837 -3.293 1.00 0.00 C ATOM 935 NH1 ARG B 65 27.366 -0.539 -2.191 1.00 0.00 N ATOM 936 NH2 ARG B 65 26.674 0.016 -4.309 1.00 0.00 N ATOM 0 H ARG B 65 21.105 -3.054 -2.392 1.00 0.00 H new ATOM 0 HA ARG B 65 23.484 -2.736 -0.815 1.00 0.00 H new ATOM 0 HB2 ARG B 65 22.743 -4.243 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG B 65 23.491 -2.917 -3.810 1.00 0.00 H new ATOM 0 HG2 ARG B 65 24.787 -4.687 -1.693 1.00 0.00 H new ATOM 0 HG3 ARG B 65 25.170 -4.638 -3.402 1.00 0.00 H new ATOM 0 HD2 ARG B 65 25.675 -2.434 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG B 65 26.883 -3.434 -2.146 1.00 0.00 H new ATOM 0 HE ARG B 65 25.530 -2.199 -4.260 1.00 0.00 H new ATOM 0 HH11 ARG B 65 27.377 -1.190 -1.406 1.00 0.00 H new ATOM 0 HH12 ARG B 65 27.879 0.341 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG B 65 26.153 -0.206 -5.157 1.00 0.00 H new ATOM 0 HH22 ARG B 65 27.189 0.894 -4.242 1.00 0.00 H new ATOM 950 N ASP B 66 22.845 -0.460 -3.153 1.00 0.00 N ATOM 951 CA ASP B 66 23.195 0.885 -3.601 1.00 0.00 C ATOM 952 C ASP B 66 22.695 1.970 -2.650 1.00 0.00 C ATOM 953 O ASP B 66 23.205 3.092 -2.660 1.00 0.00 O ATOM 954 CB ASP B 66 22.666 1.125 -5.017 1.00 0.00 C ATOM 955 CG ASP B 66 23.389 0.292 -6.075 1.00 0.00 C ATOM 956 OD1 ASP B 66 22.994 0.408 -7.257 1.00 0.00 O ATOM 957 OD2 ASP B 66 24.324 -0.452 -5.698 1.00 0.00 O ATOM 0 H ASP B 66 22.131 -0.916 -3.721 1.00 0.00 H new ATOM 0 HA ASP B 66 24.283 0.949 -3.606 1.00 0.00 H new ATOM 0 HB2 ASP B 66 21.601 0.893 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP B 66 22.768 2.182 -5.263 1.00 0.00 H new ATOM 962 N ALA B 67 21.701 1.642 -1.820 1.00 0.00 N ATOM 963 CA ALA B 67 21.153 2.588 -0.863 1.00 0.00 C ATOM 964 C ALA B 67 22.196 2.923 0.205 1.00 0.00 C ATOM 965 O ALA B 67 22.126 3.978 0.829 1.00 0.00 O ATOM 966 CB ALA B 67 19.902 1.989 -0.228 1.00 0.00 C ATOM 0 H ALA B 67 21.262 0.722 -1.797 1.00 0.00 H new ATOM 0 HA ALA B 67 20.885 3.513 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA B 67 19.486 2.694 0.491 1.00 0.00 H new ATOM 0 HB2 ALA B 67 19.164 1.783 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA B 67 20.161 1.061 0.282 1.00 0.00 H new ATOM 972 N GLU B 68 23.167 2.026 0.423 1.00 0.00 N ATOM 973 CA GLU B 68 24.211 2.256 1.410 1.00 0.00 C ATOM 974 C GLU B 68 25.189 3.317 0.910 1.00 0.00 C ATOM 975 O GLU B 68 25.739 4.075 1.707 1.00 0.00 O ATOM 976 CB GLU B 68 24.922 0.928 1.700 1.00 0.00 C ATOM 977 CG GLU B 68 26.093 1.099 2.682 1.00 0.00 C ATOM 978 CD GLU B 68 25.639 1.507 4.087 1.00 0.00 C ATOM 979 OE1 GLU B 68 26.538 1.746 4.927 1.00 0.00 O ATOM 980 OE2 GLU B 68 24.409 1.575 4.314 1.00 0.00 O ATOM 0 H GLU B 68 23.245 1.138 -0.074 1.00 0.00 H new ATOM 0 HA GLU B 68 23.773 2.629 2.336 1.00 0.00 H new ATOM 0 HB2 GLU B 68 24.206 0.217 2.111 1.00 0.00 H new ATOM 0 HB3 GLU B 68 25.292 0.504 0.766 1.00 0.00 H new ATOM 0 HG2 GLU B 68 26.649 0.163 2.743 1.00 0.00 H new ATOM 0 HG3 GLU B 68 26.779 1.852 2.294 1.00 0.00 H new ATOM 987 N ASP B 69 25.409 3.377 -0.409 1.00 0.00 N ATOM 988 CA ASP B 69 26.316 4.360 -0.990 1.00 0.00 C ATOM 989 C ASP B 69 25.719 5.760 -0.983 1.00 0.00 C ATOM 990 O ASP B 69 26.431 6.740 -0.768 1.00 0.00 O ATOM 991 CB ASP B 69 26.698 3.953 -2.415 1.00 0.00 C ATOM 992 CG ASP B 69 27.603 2.720 -2.462 1.00 0.00 C ATOM 993 OD1 ASP B 69 27.906 2.170 -1.380 1.00 0.00 O ATOM 994 OD2 ASP B 69 27.985 2.340 -3.590 1.00 0.00 O ATOM 0 H ASP B 69 24.970 2.756 -1.088 1.00 0.00 H new ATOM 0 HA ASP B 69 27.213 4.384 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP B 69 25.791 3.753 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP B 69 27.204 4.787 -2.902 1.00 0.00 H new ATOM 999 N ALA B 70 24.408 5.860 -1.212 1.00 0.00 N ATOM 1000 CA ALA B 70 23.723 7.137 -1.229 1.00 0.00 C ATOM 1001 C ALA B 70 23.614 7.705 0.182 1.00 0.00 C ATOM 1002 O ALA B 70 23.558 8.924 0.353 1.00 0.00 O ATOM 1003 CB ALA B 70 22.338 6.951 -1.846 1.00 0.00 C ATOM 0 H ALA B 70 23.802 5.059 -1.389 1.00 0.00 H new ATOM 0 HA ALA B 70 24.292 7.847 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA B 70 21.816 7.908 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA B 70 22.441 6.576 -2.864 1.00 0.00 H new ATOM 0 HB3 ALA B 70 21.768 6.237 -1.252 1.00 0.00 H new ATOM 1009 N VAL B 71 23.585 6.831 1.193 1.00 0.00 N ATOM 1010 CA VAL B 71 23.485 7.262 2.581 1.00 0.00 C ATOM 1011 C VAL B 71 24.876 7.627 3.097 1.00 0.00 C ATOM 1012 O VAL B 71 25.084 8.729 3.596 1.00 0.00 O ATOM 1013 CB VAL B 71 22.872 6.132 3.416 1.00 0.00 C ATOM 1014 CG1 VAL B 71 23.026 6.396 4.917 1.00 0.00 C ATOM 1015 CG2 VAL B 71 21.381 6.015 3.087 1.00 0.00 C ATOM 0 H VAL B 71 23.630 5.819 1.070 1.00 0.00 H new ATOM 0 HA VAL B 71 22.844 8.140 2.659 1.00 0.00 H new ATOM 0 HB VAL B 71 23.397 5.208 3.172 1.00 0.00 H new ATOM 0 HG11 VAL B 71 22.580 5.575 5.478 1.00 0.00 H new ATOM 0 HG12 VAL B 71 24.084 6.474 5.166 1.00 0.00 H new ATOM 0 HG13 VAL B 71 22.523 7.328 5.176 1.00 0.00 H new ATOM 0 HG21 VAL B 71 20.940 5.213 3.678 1.00 0.00 H new ATOM 0 HG22 VAL B 71 20.882 6.955 3.322 1.00 0.00 H new ATOM 0 HG23 VAL B 71 21.259 5.794 2.027 1.00 0.00 H new ATOM 1025 N SER B 72 25.835 6.705 2.979 1.00 0.00 N ATOM 1026 CA SER B 72 27.163 6.901 3.550 1.00 0.00 C ATOM 1027 C SER B 72 27.955 7.968 2.792 1.00 0.00 C ATOM 1028 O SER B 72 28.926 8.510 3.317 1.00 0.00 O ATOM 1029 CB SER B 72 27.906 5.563 3.534 1.00 0.00 C ATOM 1030 OG SER B 72 29.199 5.716 4.086 1.00 0.00 O ATOM 0 H SER B 72 25.713 5.817 2.493 1.00 0.00 H new ATOM 0 HA SER B 72 27.057 7.256 4.575 1.00 0.00 H new ATOM 0 HB2 SER B 72 27.346 4.821 4.102 1.00 0.00 H new ATOM 0 HB3 SER B 72 27.981 5.192 2.512 1.00 0.00 H new ATOM 0 HG SER B 72 29.665 4.854 4.072 1.00 0.00 H new ATOM 1036 N GLY B 73 27.544 8.276 1.556 1.00 0.00 N ATOM 1037 CA GLY B 73 28.301 9.163 0.685 1.00 0.00 C ATOM 1038 C GLY B 73 27.740 10.581 0.621 1.00 0.00 C ATOM 1039 O GLY B 73 28.299 11.413 -0.094 1.00 0.00 O ATOM 0 H GLY B 73 26.684 7.918 1.141 1.00 0.00 H new ATOM 0 HA2 GLY B 73 29.334 9.205 1.032 1.00 0.00 H new ATOM 0 HA3 GLY B 73 28.319 8.743 -0.321 1.00 0.00 H new ATOM 1043 N ARG B 74 26.655 10.880 1.347 1.00 0.00 N ATOM 1044 CA ARG B 74 26.033 12.198 1.240 1.00 0.00 C ATOM 1045 C ARG B 74 25.270 12.613 2.498 1.00 0.00 C ATOM 1046 O ARG B 74 24.908 13.782 2.640 1.00 0.00 O ATOM 1047 CB ARG B 74 25.122 12.195 0.007 1.00 0.00 C ATOM 1048 CG ARG B 74 24.428 13.545 -0.199 1.00 0.00 C ATOM 1049 CD ARG B 74 23.855 13.636 -1.617 1.00 0.00 C ATOM 1050 NE ARG B 74 22.956 12.515 -1.919 1.00 0.00 N ATOM 1051 CZ ARG B 74 23.293 11.477 -2.689 1.00 0.00 C ATOM 1052 NH1 ARG B 74 24.512 11.387 -3.210 1.00 0.00 N ATOM 1053 NH2 ARG B 74 22.407 10.517 -2.941 1.00 0.00 N ATOM 0 H ARG B 74 26.201 10.241 2.000 1.00 0.00 H new ATOM 0 HA ARG B 74 26.820 12.944 1.132 1.00 0.00 H new ATOM 0 HB2 ARG B 74 25.711 11.952 -0.878 1.00 0.00 H new ATOM 0 HB3 ARG B 74 24.370 11.414 0.114 1.00 0.00 H new ATOM 0 HG2 ARG B 74 23.629 13.666 0.532 1.00 0.00 H new ATOM 0 HG3 ARG B 74 25.138 14.356 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG B 74 23.314 14.575 -1.730 1.00 0.00 H new ATOM 0 HD3 ARG B 74 24.672 13.650 -2.338 1.00 0.00 H new ATOM 0 HE ARG B 74 22.019 12.530 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG B 74 25.201 12.115 -3.023 1.00 0.00 H new ATOM 0 HH12 ARG B 74 24.758 10.590 -3.797 1.00 0.00 H new ATOM 0 HH21 ARG B 74 21.468 10.573 -2.546 1.00 0.00 H new ATOM 0 HH22 ARG B 74 22.666 9.725 -3.529 1.00 0.00 H new ATOM 1067 N ASP B 75 25.012 11.686 3.424 1.00 0.00 N ATOM 1068 CA ASP B 75 24.298 12.023 4.650 1.00 0.00 C ATOM 1069 C ASP B 75 25.153 12.938 5.528 1.00 0.00 C ATOM 1070 O ASP B 75 26.379 12.808 5.560 1.00 0.00 O ATOM 1071 CB ASP B 75 23.947 10.744 5.408 1.00 0.00 C ATOM 1072 CG ASP B 75 23.120 11.030 6.662 1.00 0.00 C ATOM 1073 OD1 ASP B 75 22.389 12.045 6.652 1.00 0.00 O ATOM 1074 OD2 ASP B 75 23.233 10.227 7.616 1.00 0.00 O ATOM 0 H ASP B 75 25.285 10.706 3.346 1.00 0.00 H new ATOM 0 HA ASP B 75 23.379 12.550 4.393 1.00 0.00 H new ATOM 0 HB2 ASP B 75 23.391 10.075 4.752 1.00 0.00 H new ATOM 0 HB3 ASP B 75 24.864 10.226 5.689 1.00 0.00 H new ATOM 1079 N GLY B 76 24.511 13.863 6.247 1.00 0.00 N ATOM 1080 CA GLY B 76 25.192 14.734 7.192 1.00 0.00 C ATOM 1081 C GLY B 76 26.198 15.643 6.492 1.00 0.00 C ATOM 1082 O GLY B 76 27.372 15.648 6.858 1.00 0.00 O ATOM 0 H GLY B 76 23.506 14.024 6.186 1.00 0.00 H new ATOM 0 HA2 GLY B 76 24.458 15.342 7.722 1.00 0.00 H new ATOM 0 HA3 GLY B 76 25.705 14.130 7.940 1.00 0.00 H new ATOM 1086 N TYR B 77 25.749 16.409 5.490 1.00 0.00 N ATOM 1087 CA TYR B 77 26.627 17.281 4.728 1.00 0.00 C ATOM 1088 C TYR B 77 26.466 18.759 5.058 1.00 0.00 C ATOM 1089 O TYR B 77 25.353 19.241 5.262 1.00 0.00 O ATOM 1090 CB TYR B 77 26.563 16.970 3.231 1.00 0.00 C ATOM 1091 CG TYR B 77 27.150 18.051 2.349 1.00 0.00 C ATOM 1092 CD1 TYR B 77 28.541 18.225 2.285 1.00 0.00 C ATOM 1093 CD2 TYR B 77 26.305 18.881 1.597 1.00 0.00 C ATOM 1094 CE1 TYR B 77 29.089 19.228 1.472 1.00 0.00 C ATOM 1095 CE2 TYR B 77 26.843 19.880 0.778 1.00 0.00 C ATOM 1096 CZ TYR B 77 28.242 20.062 0.716 1.00 0.00 C ATOM 1097 OH TYR B 77 28.766 21.041 -0.075 1.00 0.00 O ATOM 0 H TYR B 77 24.774 16.436 5.193 1.00 0.00 H new ATOM 0 HA TYR B 77 27.644 17.055 5.049 1.00 0.00 H new ATOM 0 HB2 TYR B 77 27.091 16.035 3.042 1.00 0.00 H new ATOM 0 HB3 TYR B 77 25.522 16.811 2.948 1.00 0.00 H new ATOM 0 HD1 TYR B 77 29.191 17.585 2.863 1.00 0.00 H new ATOM 0 HD2 TYR B 77 25.235 18.748 1.650 1.00 0.00 H new ATOM 0 HE1 TYR B 77 30.160 19.361 1.426 1.00 0.00 H new ATOM 0 HE2 TYR B 77 26.189 20.511 0.194 1.00 0.00 H new ATOM 0 HH TYR B 77 28.040 21.520 -0.526 1.00 0.00 H new ATOM 1107 N ASP B 78 27.591 19.468 5.109 1.00 0.00 N ATOM 1108 CA ASP B 78 27.658 20.864 5.497 1.00 0.00 C ATOM 1109 C ASP B 78 26.891 21.785 4.549 1.00 0.00 C ATOM 1110 O ASP B 78 27.294 21.986 3.402 1.00 0.00 O ATOM 1111 CB ASP B 78 29.129 21.276 5.635 1.00 0.00 C ATOM 1112 CG ASP B 78 29.312 22.787 5.778 1.00 0.00 C ATOM 1113 OD1 ASP B 78 30.408 23.268 5.410 1.00 0.00 O ATOM 1114 OD2 ASP B 78 28.364 23.450 6.255 1.00 0.00 O ATOM 0 H ASP B 78 28.501 19.072 4.875 1.00 0.00 H new ATOM 0 HA ASP B 78 27.161 20.974 6.461 1.00 0.00 H new ATOM 0 HB2 ASP B 78 29.560 20.779 6.504 1.00 0.00 H new ATOM 0 HB3 ASP B 78 29.682 20.929 4.762 1.00 0.00 H new ATOM 1119 N TYR B 79 25.784 22.340 5.044 1.00 0.00 N ATOM 1120 CA TYR B 79 24.990 23.323 4.332 1.00 0.00 C ATOM 1121 C TYR B 79 24.924 24.654 5.080 1.00 0.00 C ATOM 1122 O TYR B 79 25.274 24.723 6.258 1.00 0.00 O ATOM 1123 CB TYR B 79 23.611 22.738 4.031 1.00 0.00 C ATOM 1124 CG TYR B 79 22.599 23.712 3.472 1.00 0.00 C ATOM 1125 CD1 TYR B 79 22.397 23.792 2.087 1.00 0.00 C ATOM 1126 CD2 TYR B 79 21.863 24.527 4.340 1.00 0.00 C ATOM 1127 CE1 TYR B 79 21.452 24.686 1.565 1.00 0.00 C ATOM 1128 CE2 TYR B 79 20.910 25.416 3.827 1.00 0.00 C ATOM 1129 CZ TYR B 79 20.699 25.500 2.437 1.00 0.00 C ATOM 1130 OH TYR B 79 19.774 26.366 1.939 1.00 0.00 O ATOM 0 H TYR B 79 25.414 22.111 5.966 1.00 0.00 H new ATOM 0 HA TYR B 79 25.473 23.553 3.382 1.00 0.00 H new ATOM 0 HB2 TYR B 79 23.730 21.918 3.323 1.00 0.00 H new ATOM 0 HB3 TYR B 79 23.209 22.310 4.949 1.00 0.00 H new ATOM 0 HD1 TYR B 79 22.970 23.164 1.421 1.00 0.00 H new ATOM 0 HD2 TYR B 79 22.030 24.470 5.405 1.00 0.00 H new ATOM 0 HE1 TYR B 79 21.301 24.751 0.498 1.00 0.00 H new ATOM 0 HE2 TYR B 79 20.336 26.038 4.498 1.00 0.00 H new ATOM 0 HH TYR B 79 19.346 26.848 2.677 1.00 0.00 H new ATOM 1140 N ASP B 80 24.474 25.714 4.403 1.00 0.00 N ATOM 1141 CA ASP B 80 24.392 27.036 4.995 1.00 0.00 C ATOM 1142 C ASP B 80 23.491 27.067 6.239 1.00 0.00 C ATOM 1143 O ASP B 80 22.267 27.153 6.129 1.00 0.00 O ATOM 1144 CB ASP B 80 23.941 28.051 3.940 1.00 0.00 C ATOM 1145 CG ASP B 80 23.617 29.421 4.537 1.00 0.00 C ATOM 1146 OD1 ASP B 80 22.884 30.177 3.862 1.00 0.00 O ATOM 1147 OD2 ASP B 80 24.103 29.703 5.656 1.00 0.00 O ATOM 0 H ASP B 80 24.159 25.672 3.434 1.00 0.00 H new ATOM 0 HA ASP B 80 25.388 27.312 5.342 1.00 0.00 H new ATOM 0 HB2 ASP B 80 24.725 28.162 3.191 1.00 0.00 H new ATOM 0 HB3 ASP B 80 23.060 27.666 3.425 1.00 0.00 H new ATOM 1152 N GLY B 81 24.101 26.996 7.425 1.00 0.00 N ATOM 1153 CA GLY B 81 23.386 27.063 8.693 1.00 0.00 C ATOM 1154 C GLY B 81 22.736 25.727 9.077 1.00 0.00 C ATOM 1155 O GLY B 81 22.177 25.611 10.167 1.00 0.00 O ATOM 0 H GLY B 81 25.110 26.890 7.528 1.00 0.00 H new ATOM 0 HA2 GLY B 81 24.077 27.366 9.480 1.00 0.00 H new ATOM 0 HA3 GLY B 81 22.616 27.832 8.631 1.00 0.00 H new ATOM 1159 N TYR B 82 22.804 24.719 8.196 1.00 0.00 N ATOM 1160 CA TYR B 82 22.188 23.420 8.441 1.00 0.00 C ATOM 1161 C TYR B 82 23.047 22.247 7.963 1.00 0.00 C ATOM 1162 O TYR B 82 24.210 22.421 7.600 1.00 0.00 O ATOM 1163 CB TYR B 82 20.781 23.382 7.836 1.00 0.00 C ATOM 1164 CG TYR B 82 19.793 24.297 8.530 1.00 0.00 C ATOM 1165 CD1 TYR B 82 18.943 23.791 9.527 1.00 0.00 C ATOM 1166 CD2 TYR B 82 19.731 25.651 8.169 1.00 0.00 C ATOM 1167 CE1 TYR B 82 18.027 24.641 10.162 1.00 0.00 C ATOM 1168 CE2 TYR B 82 18.814 26.505 8.799 1.00 0.00 C ATOM 1169 CZ TYR B 82 17.957 26.002 9.801 1.00 0.00 C ATOM 1170 OH TYR B 82 17.063 26.826 10.413 1.00 0.00 O ATOM 0 H TYR B 82 23.286 24.787 7.300 1.00 0.00 H new ATOM 0 HA TYR B 82 22.107 23.297 9.521 1.00 0.00 H new ATOM 0 HB2 TYR B 82 20.841 23.658 6.783 1.00 0.00 H new ATOM 0 HB3 TYR B 82 20.406 22.359 7.876 1.00 0.00 H new ATOM 0 HD1 TYR B 82 18.995 22.748 9.804 1.00 0.00 H new ATOM 0 HD2 TYR B 82 20.390 26.036 7.405 1.00 0.00 H new ATOM 0 HE1 TYR B 82 17.374 24.253 10.929 1.00 0.00 H new ATOM 0 HE2 TYR B 82 18.764 27.546 8.518 1.00 0.00 H new ATOM 0 HH TYR B 82 17.148 27.731 10.046 1.00 0.00 H new ATOM 1180 N ARG B 83 22.466 21.043 7.968 1.00 0.00 N ATOM 1181 CA ARG B 83 23.153 19.820 7.582 1.00 0.00 C ATOM 1182 C ARG B 83 22.179 18.943 6.801 1.00 0.00 C ATOM 1183 O ARG B 83 21.037 18.761 7.222 1.00 0.00 O ATOM 1184 CB ARG B 83 23.645 19.116 8.852 1.00 0.00 C ATOM 1185 CG ARG B 83 24.735 18.095 8.528 1.00 0.00 C ATOM 1186 CD ARG B 83 26.086 18.794 8.341 1.00 0.00 C ATOM 1187 NE ARG B 83 26.664 19.194 9.632 1.00 0.00 N ATOM 1188 CZ ARG B 83 26.793 20.458 10.050 1.00 0.00 C ATOM 1189 NH1 ARG B 83 26.348 21.471 9.315 1.00 0.00 N ATOM 1190 NH2 ARG B 83 27.375 20.711 11.219 1.00 0.00 N ATOM 0 H ARG B 83 21.495 20.895 8.244 1.00 0.00 H new ATOM 0 HA ARG B 83 24.014 20.031 6.948 1.00 0.00 H new ATOM 0 HB2 ARG B 83 24.031 19.855 9.554 1.00 0.00 H new ATOM 0 HB3 ARG B 83 22.809 18.617 9.342 1.00 0.00 H new ATOM 0 HG2 ARG B 83 24.806 17.362 9.332 1.00 0.00 H new ATOM 0 HG3 ARG B 83 24.473 17.549 7.622 1.00 0.00 H new ATOM 0 HD2 ARG B 83 26.775 18.126 7.823 1.00 0.00 H new ATOM 0 HD3 ARG B 83 25.959 19.673 7.709 1.00 0.00 H new ATOM 0 HE ARG B 83 26.990 18.454 10.254 1.00 0.00 H new ATOM 0 HH11 ARG B 83 25.900 21.291 8.417 1.00 0.00 H new ATOM 0 HH12 ARG B 83 26.455 22.429 9.649 1.00 0.00 H new ATOM 0 HH21 ARG B 83 27.721 19.942 11.793 1.00 0.00 H new ATOM 0 HH22 ARG B 83 27.475 21.674 11.541 1.00 0.00 H new ATOM 1204 N LEU B 84 22.622 18.401 5.665 1.00 0.00 N ATOM 1205 CA LEU B 84 21.787 17.534 4.844 1.00 0.00 C ATOM 1206 C LEU B 84 21.464 16.254 5.606 1.00 0.00 C ATOM 1207 O LEU B 84 22.240 15.823 6.459 1.00 0.00 O ATOM 1208 CB LEU B 84 22.513 17.185 3.537 1.00 0.00 C ATOM 1209 CG LEU B 84 22.354 18.252 2.442 1.00 0.00 C ATOM 1210 CD1 LEU B 84 20.898 18.361 1.998 1.00 0.00 C ATOM 1211 CD2 LEU B 84 22.846 19.620 2.909 1.00 0.00 C ATOM 0 H LEU B 84 23.560 18.551 5.294 1.00 0.00 H new ATOM 0 HA LEU B 84 20.861 18.058 4.608 1.00 0.00 H new ATOM 0 HB2 LEU B 84 23.574 17.046 3.746 1.00 0.00 H new ATOM 0 HB3 LEU B 84 22.134 16.234 3.163 1.00 0.00 H new ATOM 0 HG LEU B 84 22.967 17.935 1.598 1.00 0.00 H new ATOM 0 HD11 LEU B 84 20.810 19.122 1.223 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.565 17.401 1.603 1.00 0.00 H new ATOM 0 HD13 LEU B 84 20.277 18.638 2.850 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.717 20.346 2.107 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.272 19.935 3.780 1.00 0.00 H new ATOM 0 HD23 LEU B 84 23.901 19.556 3.174 1.00 0.00 H new ATOM 1223 N ARG B 85 20.316 15.650 5.291 1.00 0.00 N ATOM 1224 CA ARG B 85 19.921 14.372 5.867 1.00 0.00 C ATOM 1225 C ARG B 85 19.606 13.384 4.755 1.00 0.00 C ATOM 1226 O ARG B 85 18.803 13.674 3.872 1.00 0.00 O ATOM 1227 CB ARG B 85 18.722 14.560 6.798 1.00 0.00 C ATOM 1228 CG ARG B 85 19.089 15.464 7.978 1.00 0.00 C ATOM 1229 CD ARG B 85 17.878 15.680 8.885 1.00 0.00 C ATOM 1230 NE ARG B 85 17.394 14.418 9.448 1.00 0.00 N ATOM 1231 CZ ARG B 85 16.162 14.244 9.933 1.00 0.00 C ATOM 1232 NH1 ARG B 85 15.297 15.256 9.968 1.00 0.00 N ATOM 1233 NH2 ARG B 85 15.793 13.049 10.388 1.00 0.00 N ATOM 0 H ARG B 85 19.640 16.035 4.632 1.00 0.00 H new ATOM 0 HA ARG B 85 20.744 13.971 6.459 1.00 0.00 H new ATOM 0 HB2 ARG B 85 17.890 14.996 6.244 1.00 0.00 H new ATOM 0 HB3 ARG B 85 18.386 13.591 7.167 1.00 0.00 H new ATOM 0 HG2 ARG B 85 19.902 15.015 8.548 1.00 0.00 H new ATOM 0 HG3 ARG B 85 19.450 16.424 7.609 1.00 0.00 H new ATOM 0 HD2 ARG B 85 18.145 16.361 9.693 1.00 0.00 H new ATOM 0 HD3 ARG B 85 17.078 16.156 8.318 1.00 0.00 H new ATOM 0 HE ARG B 85 18.035 13.625 9.471 1.00 0.00 H new ATOM 0 HH11 ARG B 85 15.573 16.175 9.622 1.00 0.00 H new ATOM 0 HH12 ARG B 85 14.358 15.112 10.341 1.00 0.00 H new ATOM 0 HH21 ARG B 85 16.450 12.269 10.366 1.00 0.00 H new ATOM 0 HH22 ARG B 85 14.853 12.913 10.759 1.00 0.00 H new ATOM 1247 N VAL B 86 20.246 12.212 4.811 1.00 0.00 N ATOM 1248 CA VAL B 86 20.017 11.129 3.867 1.00 0.00 C ATOM 1249 C VAL B 86 20.120 9.804 4.611 1.00 0.00 C ATOM 1250 O VAL B 86 21.152 9.146 4.579 1.00 0.00 O ATOM 1251 CB VAL B 86 21.008 11.200 2.696 1.00 0.00 C ATOM 1252 CG1 VAL B 86 20.664 10.133 1.655 1.00 0.00 C ATOM 1253 CG2 VAL B 86 20.977 12.568 2.014 1.00 0.00 C ATOM 0 H VAL B 86 20.943 11.993 5.522 1.00 0.00 H new ATOM 0 HA VAL B 86 19.019 11.220 3.437 1.00 0.00 H new ATOM 0 HB VAL B 86 22.005 11.031 3.103 1.00 0.00 H new ATOM 0 HG11 VAL B 86 21.372 10.190 0.828 1.00 0.00 H new ATOM 0 HG12 VAL B 86 20.721 9.146 2.113 1.00 0.00 H new ATOM 0 HG13 VAL B 86 19.654 10.302 1.281 1.00 0.00 H new ATOM 0 HG21 VAL B 86 21.691 12.580 1.191 1.00 0.00 H new ATOM 0 HG22 VAL B 86 19.976 12.760 1.629 1.00 0.00 H new ATOM 0 HG23 VAL B 86 21.242 13.340 2.736 1.00 0.00 H new ATOM 1263 N GLU B 87 19.038 9.419 5.288 1.00 0.00 N ATOM 1264 CA GLU B 87 19.017 8.226 6.125 1.00 0.00 C ATOM 1265 C GLU B 87 17.695 7.484 5.966 1.00 0.00 C ATOM 1266 O GLU B 87 16.698 8.063 5.556 1.00 0.00 O ATOM 1267 CB GLU B 87 19.248 8.629 7.586 1.00 0.00 C ATOM 1268 CG GLU B 87 18.156 9.591 8.066 1.00 0.00 C ATOM 1269 CD GLU B 87 18.396 10.068 9.499 1.00 0.00 C ATOM 1270 OE1 GLU B 87 19.315 9.523 10.152 1.00 0.00 O ATOM 1271 OE2 GLU B 87 17.652 10.979 9.928 1.00 0.00 O ATOM 0 H GLU B 87 18.154 9.927 5.270 1.00 0.00 H new ATOM 0 HA GLU B 87 19.814 7.551 5.813 1.00 0.00 H new ATOM 0 HB2 GLU B 87 19.257 7.739 8.216 1.00 0.00 H new ATOM 0 HB3 GLU B 87 20.225 9.102 7.687 1.00 0.00 H new ATOM 0 HG2 GLU B 87 18.115 10.453 7.400 1.00 0.00 H new ATOM 0 HG3 GLU B 87 17.187 9.096 8.007 1.00 0.00 H new ATOM 1278 N PHE B 88 17.692 6.191 6.294 1.00 0.00 N ATOM 1279 CA PHE B 88 16.503 5.359 6.210 1.00 0.00 C ATOM 1280 C PHE B 88 15.471 5.604 7.313 1.00 0.00 C ATOM 1281 O PHE B 88 15.830 6.072 8.395 1.00 0.00 O ATOM 1282 CB PHE B 88 16.888 3.882 6.090 1.00 0.00 C ATOM 1283 CG PHE B 88 18.102 3.495 6.899 1.00 0.00 C ATOM 1284 CD1 PHE B 88 19.381 3.614 6.334 1.00 0.00 C ATOM 1285 CD2 PHE B 88 17.958 3.025 8.211 1.00 0.00 C ATOM 1286 CE1 PHE B 88 20.514 3.259 7.081 1.00 0.00 C ATOM 1287 CE2 PHE B 88 19.088 2.665 8.958 1.00 0.00 C ATOM 1288 CZ PHE B 88 20.364 2.782 8.391 1.00 0.00 C ATOM 0 H PHE B 88 18.519 5.695 6.626 1.00 0.00 H new ATOM 0 HA PHE B 88 15.988 5.661 5.298 1.00 0.00 H new ATOM 0 HB2 PHE B 88 16.043 3.270 6.407 1.00 0.00 H new ATOM 0 HB3 PHE B 88 17.074 3.650 5.041 1.00 0.00 H new ATOM 0 HD1 PHE B 88 19.493 3.979 5.324 1.00 0.00 H new ATOM 0 HD2 PHE B 88 16.974 2.940 8.648 1.00 0.00 H new ATOM 0 HE1 PHE B 88 21.499 3.353 6.648 1.00 0.00 H new ATOM 0 HE2 PHE B 88 18.976 2.298 9.968 1.00 0.00 H new ATOM 0 HZ PHE B 88 21.235 2.504 8.965 1.00 0.00 H new ATOM 1298 N PRO B 89 14.197 5.297 7.046 1.00 0.00 N ATOM 1299 CA PRO B 89 13.118 5.415 8.017 1.00 0.00 C ATOM 1300 C PRO B 89 13.313 4.430 9.171 1.00 0.00 C ATOM 1301 O PRO B 89 13.706 3.275 8.885 1.00 0.00 O ATOM 1302 CB PRO B 89 11.829 5.121 7.237 1.00 0.00 C ATOM 1303 CG PRO B 89 12.298 4.281 6.048 1.00 0.00 C ATOM 1304 CD PRO B 89 13.708 4.795 5.773 1.00 0.00 C ATOM 0 HA PRO B 89 13.087 6.405 8.471 1.00 0.00 H new ATOM 0 HB2 PRO B 89 11.108 4.579 7.848 1.00 0.00 H new ATOM 0 HB3 PRO B 89 11.343 6.040 6.909 1.00 0.00 H new ATOM 0 HG2 PRO B 89 12.299 3.217 6.285 1.00 0.00 H new ATOM 0 HG3 PRO B 89 11.648 4.414 5.183 1.00 0.00 H new ATOM 0 HD2 PRO B 89 14.348 3.999 5.394 1.00 0.00 H new ATOM 0 HD3 PRO B 89 13.698 5.582 5.019 1.00 0.00 H new TER 1312 PRO B 89 ATOM 1313 O5' A A 90 1.848 15.983 12.429 1.00 0.00 O ATOM 1314 C5' A A 90 2.950 16.001 11.544 1.00 0.00 C ATOM 1315 C4' A A 90 4.105 16.845 12.095 1.00 0.00 C ATOM 1316 O4' A A 90 3.806 18.228 12.016 1.00 0.00 O ATOM 1317 C3' A A 90 4.374 16.560 13.571 1.00 0.00 C ATOM 1318 O3' A A 90 5.727 16.839 13.897 1.00 0.00 O ATOM 1319 C2' A A 90 3.447 17.547 14.274 1.00 0.00 C ATOM 1320 O2' A A 90 4.039 18.075 15.447 1.00 0.00 O ATOM 1321 C1' A A 90 3.201 18.648 13.235 1.00 0.00 C ATOM 1322 N9 A A 90 1.745 18.880 13.064 1.00 0.00 N ATOM 1323 C8 A A 90 0.767 18.883 14.028 1.00 0.00 C ATOM 1324 N7 A A 90 -0.433 19.121 13.571 1.00 0.00 N ATOM 1325 C5 A A 90 -0.236 19.292 12.202 1.00 0.00 C ATOM 1326 C6 A A 90 -1.109 19.578 11.138 1.00 0.00 C ATOM 1327 N6 A A 90 -2.428 19.741 11.289 1.00 0.00 N ATOM 1328 N1 A A 90 -0.593 19.696 9.907 1.00 0.00 N ATOM 1329 C2 A A 90 0.715 19.542 9.744 1.00 0.00 C ATOM 1330 N3 A A 90 1.643 19.278 10.650 1.00 0.00 N ATOM 1331 C4 A A 90 1.089 19.156 11.883 1.00 0.00 C ATOM 0 H5' A A 90 2.636 16.400 10.579 1.00 0.00 H new ATOM 0 H5'' A A 90 3.294 14.981 11.371 1.00 0.00 H new ATOM 0 H4' A A 90 4.972 16.582 11.489 1.00 0.00 H new ATOM 0 H3' A A 90 4.203 15.520 13.850 1.00 0.00 H new ATOM 0 H2' A A 90 2.523 17.073 14.605 1.00 0.00 H new ATOM 0 HO2' A A 90 4.741 18.713 15.201 1.00 0.00 H new ATOM 0 HO5' A A 90 1.466 16.883 12.495 1.00 0.00 H new ATOM 0 H1' A A 90 3.638 19.593 13.559 1.00 0.00 H new ATOM 0 H8 A A 90 0.972 18.704 15.073 1.00 0.00 H new ATOM 0 H61 A A 90 -3.012 19.947 10.479 1.00 0.00 H new ATOM 0 H62 A A 90 -2.849 19.659 12.214 1.00 0.00 H new ATOM 0 H2 A A 90 1.072 19.647 8.730 1.00 0.00 H new ATOM 1344 P A A 91 6.913 15.859 13.426 1.00 0.00 P ATOM 1345 OP1 A A 91 6.338 14.803 12.562 1.00 0.00 O ATOM 1346 OP2 A A 91 7.689 15.474 14.627 1.00 0.00 O ATOM 1347 O5' A A 91 7.856 16.804 12.516 1.00 0.00 O ATOM 1348 C5' A A 91 7.444 17.238 11.236 1.00 0.00 C ATOM 1349 C4' A A 91 8.595 17.910 10.480 1.00 0.00 C ATOM 1350 O4' A A 91 8.856 19.211 10.975 1.00 0.00 O ATOM 1351 C3' A A 91 9.897 17.133 10.640 1.00 0.00 C ATOM 1352 O3' A A 91 10.683 17.300 9.478 1.00 0.00 O ATOM 1353 C2' A A 91 10.543 17.786 11.864 1.00 0.00 C ATOM 1354 O2' A A 91 11.927 17.994 11.669 1.00 0.00 O ATOM 1355 C1' A A 91 9.816 19.130 12.017 1.00 0.00 C ATOM 1356 N9 A A 91 9.178 19.237 13.353 1.00 0.00 N ATOM 1357 C8 A A 91 9.645 18.780 14.560 1.00 0.00 C ATOM 1358 N7 A A 91 8.864 19.040 15.570 1.00 0.00 N ATOM 1359 C5 A A 91 7.794 19.724 14.994 1.00 0.00 C ATOM 1360 C6 A A 91 6.620 20.291 15.525 1.00 0.00 C ATOM 1361 N6 A A 91 6.303 20.249 16.821 1.00 0.00 N ATOM 1362 N1 A A 91 5.781 20.908 14.682 1.00 0.00 N ATOM 1363 C2 A A 91 6.086 20.961 13.393 1.00 0.00 C ATOM 1364 N3 A A 91 7.147 20.474 12.770 1.00 0.00 N ATOM 1365 C4 A A 91 7.977 19.852 13.643 1.00 0.00 C ATOM 0 H5' A A 91 6.614 17.938 11.336 1.00 0.00 H new ATOM 0 H5'' A A 91 7.076 16.388 10.662 1.00 0.00 H new ATOM 0 H4' A A 91 8.279 17.943 9.437 1.00 0.00 H new ATOM 0 H3' A A 91 9.770 16.058 10.770 1.00 0.00 H new ATOM 0 H2' A A 91 10.454 17.157 12.750 1.00 0.00 H new ATOM 0 HO2' A A 91 12.328 17.187 11.284 1.00 0.00 H new ATOM 0 H1' A A 91 10.520 19.959 11.943 1.00 0.00 H new ATOM 0 H8 A A 91 10.580 18.250 14.664 1.00 0.00 H new ATOM 0 H61 A A 91 5.437 20.678 17.148 1.00 0.00 H new ATOM 0 H62 A A 91 6.926 19.788 17.484 1.00 0.00 H new ATOM 0 H2 A A 91 5.371 21.472 12.765 1.00 0.00 H new ATOM 1377 P C A 92 11.729 16.162 9.029 1.00 0.00 P ATOM 1378 OP1 C A 92 12.462 15.700 10.226 1.00 0.00 O ATOM 1379 OP2 C A 92 12.478 16.660 7.853 1.00 0.00 O ATOM 1380 O5' C A 92 10.754 14.979 8.544 1.00 0.00 O ATOM 1381 C5' C A 92 9.940 15.138 7.404 1.00 0.00 C ATOM 1382 C4' C A 92 9.054 13.909 7.205 1.00 0.00 C ATOM 1383 O4' C A 92 9.866 12.792 6.867 1.00 0.00 O ATOM 1384 C3' C A 92 8.297 13.572 8.492 1.00 0.00 C ATOM 1385 O3' C A 92 6.978 13.139 8.208 1.00 0.00 O ATOM 1386 C2' C A 92 9.115 12.423 9.056 1.00 0.00 C ATOM 1387 O2' C A 92 8.335 11.550 9.848 1.00 0.00 O ATOM 1388 C1' C A 92 9.621 11.750 7.792 1.00 0.00 C ATOM 1389 N1 C A 92 10.859 10.997 8.087 1.00 0.00 N ATOM 1390 C2 C A 92 10.867 9.626 7.871 1.00 0.00 C ATOM 1391 O2 C A 92 9.843 9.046 7.507 1.00 0.00 O ATOM 1392 N3 C A 92 12.025 8.945 8.074 1.00 0.00 N ATOM 1393 C4 C A 92 13.124 9.577 8.499 1.00 0.00 C ATOM 1394 N4 C A 92 14.243 8.872 8.665 1.00 0.00 N ATOM 1395 C5 C A 92 13.122 10.981 8.778 1.00 0.00 C ATOM 1396 C6 C A 92 11.961 11.643 8.570 1.00 0.00 C ATOM 0 H5' C A 92 10.563 15.291 6.523 1.00 0.00 H new ATOM 0 H5'' C A 92 9.319 16.027 7.514 1.00 0.00 H new ATOM 0 H4' C A 92 8.342 14.128 6.409 1.00 0.00 H new ATOM 0 H3' C A 92 8.194 14.421 9.168 1.00 0.00 H new ATOM 0 H2' C A 92 9.909 12.742 9.731 1.00 0.00 H new ATOM 0 HO2' C A 92 7.394 11.619 9.581 1.00 0.00 H new ATOM 0 H1' C A 92 8.901 11.037 7.390 1.00 0.00 H new ATOM 0 H41 C A 92 15.093 9.333 8.988 1.00 0.00 H new ATOM 0 H42 C A 92 14.249 7.871 8.469 1.00 0.00 H new ATOM 0 H5 C A 92 14.005 11.488 9.137 1.00 0.00 H new ATOM 0 H6 C A 92 11.905 12.699 8.789 1.00 0.00 H new ATOM 1408 P A A 93 5.869 14.163 7.646 1.00 0.00 P ATOM 1409 OP1 A A 93 6.468 15.515 7.585 1.00 0.00 O ATOM 1410 OP2 A A 93 4.618 13.949 8.412 1.00 0.00 O ATOM 1411 O5' A A 93 5.625 13.654 6.136 1.00 0.00 O ATOM 1412 C5' A A 93 4.679 12.641 5.864 1.00 0.00 C ATOM 1413 C4' A A 93 4.565 12.421 4.352 1.00 0.00 C ATOM 1414 O4' A A 93 5.564 11.505 3.913 1.00 0.00 O ATOM 1415 C3' A A 93 3.219 11.784 4.015 1.00 0.00 C ATOM 1416 O3' A A 93 2.896 11.995 2.655 1.00 0.00 O ATOM 1417 C2' A A 93 3.529 10.319 4.247 1.00 0.00 C ATOM 1418 O2' A A 93 2.652 9.477 3.523 1.00 0.00 O ATOM 1419 C1' A A 93 4.964 10.223 3.741 1.00 0.00 C ATOM 1420 N9 A A 93 5.717 9.182 4.451 1.00 0.00 N ATOM 1421 C8 A A 93 5.706 8.897 5.783 1.00 0.00 C ATOM 1422 N7 A A 93 6.432 7.863 6.117 1.00 0.00 N ATOM 1423 C5 A A 93 6.977 7.444 4.905 1.00 0.00 C ATOM 1424 C6 A A 93 7.831 6.384 4.550 1.00 0.00 C ATOM 1425 N6 A A 93 8.308 5.501 5.430 1.00 0.00 N ATOM 1426 N1 A A 93 8.176 6.260 3.261 1.00 0.00 N ATOM 1427 C2 A A 93 7.716 7.142 2.380 1.00 0.00 C ATOM 1428 N3 A A 93 6.901 8.166 2.576 1.00 0.00 N ATOM 1429 C4 A A 93 6.567 8.262 3.884 1.00 0.00 C ATOM 0 H5' A A 93 3.708 12.920 6.273 1.00 0.00 H new ATOM 0 H5'' A A 93 4.977 11.713 6.353 1.00 0.00 H new ATOM 0 H4' A A 93 4.677 13.391 3.867 1.00 0.00 H new ATOM 0 H3' A A 93 2.380 12.176 4.590 1.00 0.00 H new ATOM 0 H2' A A 93 3.408 9.998 5.282 1.00 0.00 H new ATOM 0 HO2' A A 93 2.253 9.980 2.782 1.00 0.00 H new ATOM 0 H1' A A 93 4.972 9.939 2.689 1.00 0.00 H new ATOM 0 H8 A A 93 5.145 9.476 6.502 1.00 0.00 H new ATOM 0 H61 A A 93 8.924 4.751 5.117 1.00 0.00 H new ATOM 0 H62 A A 93 8.056 5.576 6.416 1.00 0.00 H new ATOM 0 H2 A A 93 8.054 7.004 1.364 1.00 0.00 H new ATOM 1441 P A A 94 2.292 13.398 2.148 1.00 0.00 P ATOM 1442 OP1 A A 94 2.286 13.378 0.668 1.00 0.00 O ATOM 1443 OP2 A A 94 2.981 14.491 2.866 1.00 0.00 O ATOM 1444 O5' A A 94 0.766 13.339 2.660 1.00 0.00 O ATOM 1445 C5' A A 94 0.061 14.532 2.941 1.00 0.00 C ATOM 1446 C4' A A 94 -1.362 14.246 3.435 1.00 0.00 C ATOM 1447 O4' A A 94 -2.189 13.853 2.346 1.00 0.00 O ATOM 1448 C3' A A 94 -1.407 13.130 4.492 1.00 0.00 C ATOM 1449 O3' A A 94 -1.894 13.598 5.739 1.00 0.00 O ATOM 1450 C2' A A 94 -2.397 12.124 3.914 1.00 0.00 C ATOM 1451 O2' A A 94 -3.692 12.327 4.445 1.00 0.00 O ATOM 1452 C1' A A 94 -2.421 12.457 2.427 1.00 0.00 C ATOM 1453 N9 A A 94 -1.385 11.708 1.676 1.00 0.00 N ATOM 1454 C8 A A 94 -0.735 10.546 2.015 1.00 0.00 C ATOM 1455 N7 A A 94 0.107 10.123 1.114 1.00 0.00 N ATOM 1456 C5 A A 94 0.013 11.076 0.104 1.00 0.00 C ATOM 1457 C6 A A 94 0.633 11.203 -1.154 1.00 0.00 C ATOM 1458 N6 A A 94 1.523 10.326 -1.626 1.00 0.00 N ATOM 1459 N1 A A 94 0.306 12.254 -1.917 1.00 0.00 N ATOM 1460 C2 A A 94 -0.589 13.121 -1.463 1.00 0.00 C ATOM 1461 N3 A A 94 -1.248 13.117 -0.316 1.00 0.00 N ATOM 1462 C4 A A 94 -0.889 12.049 0.438 1.00 0.00 C ATOM 0 H5' A A 94 0.018 15.149 2.044 1.00 0.00 H new ATOM 0 H5'' A A 94 0.600 15.104 3.696 1.00 0.00 H new ATOM 0 H4' A A 94 -1.722 15.170 3.888 1.00 0.00 H new ATOM 0 H3' A A 94 -0.415 12.722 4.685 1.00 0.00 H new ATOM 0 H2' A A 94 -2.113 11.096 4.137 1.00 0.00 H new ATOM 0 HO2' A A 94 -3.991 11.511 4.899 1.00 0.00 H new ATOM 0 H1' A A 94 -3.374 12.174 1.980 1.00 0.00 H new ATOM 0 H8 A A 94 -0.907 10.028 2.947 1.00 0.00 H new ATOM 0 H61 A A 94 1.941 10.468 -2.545 1.00 0.00 H new ATOM 0 H62 A A 94 1.785 9.514 -1.067 1.00 0.00 H new ATOM 0 H2 A A 94 -0.811 13.947 -2.123 1.00 0.00 H new ATOM 1474 P A A 95 -0.923 14.335 6.793 1.00 0.00 P ATOM 1475 OP1 A A 95 -1.760 15.209 7.645 1.00 0.00 O ATOM 1476 OP2 A A 95 0.222 14.918 6.061 1.00 0.00 O ATOM 1477 O5' A A 95 -0.379 13.122 7.713 1.00 0.00 O ATOM 1478 C5' A A 95 0.566 12.194 7.218 1.00 0.00 C ATOM 1479 C4' A A 95 0.981 11.243 8.346 1.00 0.00 C ATOM 1480 O4' A A 95 -0.072 10.336 8.635 1.00 0.00 O ATOM 1481 C3' A A 95 2.150 10.379 7.901 1.00 0.00 C ATOM 1482 O3' A A 95 2.804 9.849 9.038 1.00 0.00 O ATOM 1483 C2' A A 95 1.438 9.282 7.125 1.00 0.00 C ATOM 1484 O2' A A 95 2.140 8.055 7.191 1.00 0.00 O ATOM 1485 C1' A A 95 0.077 9.182 7.818 1.00 0.00 C ATOM 1486 N9 A A 95 -1.016 9.072 6.820 1.00 0.00 N ATOM 1487 C8 A A 95 -0.975 8.533 5.558 1.00 0.00 C ATOM 1488 N7 A A 95 -2.114 8.573 4.925 1.00 0.00 N ATOM 1489 C5 A A 95 -2.980 9.171 5.833 1.00 0.00 C ATOM 1490 C6 A A 95 -4.348 9.488 5.783 1.00 0.00 C ATOM 1491 N6 A A 95 -5.125 9.234 4.726 1.00 0.00 N ATOM 1492 N1 A A 95 -4.899 10.077 6.855 1.00 0.00 N ATOM 1493 C2 A A 95 -4.137 10.327 7.913 1.00 0.00 C ATOM 1494 N3 A A 95 -2.849 10.072 8.092 1.00 0.00 N ATOM 1495 C4 A A 95 -2.320 9.486 6.990 1.00 0.00 C ATOM 0 H5' A A 95 1.439 12.719 6.830 1.00 0.00 H new ATOM 0 H5'' A A 95 0.139 11.629 6.389 1.00 0.00 H new ATOM 0 H4' A A 95 1.236 11.857 9.210 1.00 0.00 H new ATOM 0 H3' A A 95 2.914 10.899 7.323 1.00 0.00 H new ATOM 0 H2' A A 95 1.359 9.504 6.061 1.00 0.00 H new ATOM 0 HO2' A A 95 1.633 7.362 6.719 1.00 0.00 H new ATOM 0 HO3' A A 95 2.955 8.889 8.911 1.00 0.00 H new ATOM 0 H1' A A 95 0.023 8.284 8.434 1.00 0.00 H new ATOM 0 H8 A A 95 -0.078 8.113 5.127 1.00 0.00 H new ATOM 0 H61 A A 95 -6.113 9.487 4.747 1.00 0.00 H new ATOM 0 H62 A A 95 -4.730 8.787 3.898 1.00 0.00 H new ATOM 0 H2 A A 95 -4.636 10.805 8.743 1.00 0.00 H new TER 1508 A A 95