USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 583 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: P 23 ASN : amide:sc= -0.0985 K(o=0.77,f=-2.6!) USER MOD Set 1.2: P 30 THR OG1 : rot -169:sc= 0.871 USER MOD Single : P 0 SER OG : rot 180:sc= 0 USER MOD Single : P 1 GLN : amide:sc= 0.694 K(o=0.69,f=-5.2!) USER MOD Single : P 4 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0.00281 USER MOD Single : P 7 HIS : no HE2:sc=-0.00101 X(o=-0.001,f=-0.053) USER MOD Single : P 9 THR OG1 : rot 180:sc= 0.33 USER MOD Single : P -1 GLY N :NH3+ 139:sc= 0.0336 (180deg=0) USER MOD Single : P 10 SER OG : rot 180:sc= 0 USER MOD Single : P 11 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : P 12 GLN : amide:sc= 1.43 K(o=1.4,f=-3.8!) USER MOD Single : P 14 GLN : amide:sc= 0.222 K(o=0.22,f=-0.29) USER MOD Single : P 19 THR OG1 : rot 180:sc= 0.362 USER MOD Single : P 21 GLN : amide:sc= 0.936 K(o=0.94,f=-0.015) USER MOD Single : P 24 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 28 MET CE :methyl -124:sc= 0 (180deg=-0.0455) USER MOD Single : P 29 SER OG : rot 180:sc= 0.0222 USER MOD Single : P 38 THR OG1 : rot -96:sc= 0.843 USER MOD Single : P 39 ASN : amide:sc= 0.595 K(o=0.59,f=0) USER MOD Single : P 41 THR OG1 : rot 180:sc= 0 USER MOD Single : P 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 51 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : P 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY P -1 -7.700 -0.026 32.948 1.00 0.00 N ATOM 2 CA GLY P -1 -7.391 -0.646 31.640 1.00 0.00 C ATOM 3 C GLY P -1 -6.821 0.368 30.658 1.00 0.00 C ATOM 4 O GLY P -1 -7.161 1.552 30.712 1.00 0.00 O ATOM 0 H1 GLY P -1 -8.604 -0.398 33.304 1.00 0.00 H new ATOM 0 H2 GLY P -1 -6.943 -0.249 33.625 1.00 0.00 H new ATOM 0 H3 GLY P -1 -7.771 1.005 32.835 1.00 0.00 H new ATOM 0 HA2 GLY P -1 -6.677 -1.457 31.781 1.00 0.00 H new ATOM 0 HA3 GLY P -1 -8.296 -1.087 31.223 1.00 0.00 H new ATOM 10 N SER P 0 -5.951 -0.083 29.750 1.00 0.00 N ATOM 11 CA SER P 0 -5.275 0.764 28.748 1.00 0.00 C ATOM 12 C SER P 0 -6.234 1.324 27.686 1.00 0.00 C ATOM 13 O SER P 0 -7.247 0.697 27.353 1.00 0.00 O ATOM 14 CB SER P 0 -4.150 -0.020 28.058 1.00 0.00 C ATOM 15 OG SER P 0 -3.235 -0.527 29.020 1.00 0.00 O ATOM 0 H SER P 0 -5.688 -1.066 29.685 1.00 0.00 H new ATOM 0 HA SER P 0 -4.863 1.614 29.293 1.00 0.00 H new ATOM 0 HB2 SER P 0 -4.573 -0.842 27.481 1.00 0.00 H new ATOM 0 HB3 SER P 0 -3.626 0.627 27.355 1.00 0.00 H new ATOM 0 HG SER P 0 -2.525 -1.026 28.565 1.00 0.00 H new ATOM 21 N GLN P 1 -5.899 2.486 27.116 1.00 0.00 N ATOM 22 CA GLN P 1 -6.707 3.174 26.098 1.00 0.00 C ATOM 23 C GLN P 1 -6.941 2.326 24.828 1.00 0.00 C ATOM 24 O GLN P 1 -6.114 1.493 24.448 1.00 0.00 O ATOM 25 CB GLN P 1 -6.135 4.581 25.823 1.00 0.00 C ATOM 26 CG GLN P 1 -4.685 4.642 25.295 1.00 0.00 C ATOM 27 CD GLN P 1 -4.524 4.375 23.799 1.00 0.00 C ATOM 28 OE1 GLN P 1 -5.465 4.383 23.018 1.00 0.00 O ATOM 29 NE2 GLN P 1 -3.314 4.154 23.333 1.00 0.00 N ATOM 0 H GLN P 1 -5.042 2.986 27.352 1.00 0.00 H new ATOM 0 HA GLN P 1 -7.711 3.311 26.500 1.00 0.00 H new ATOM 0 HB2 GLN P 1 -6.783 5.078 25.101 1.00 0.00 H new ATOM 0 HB3 GLN P 1 -6.187 5.157 26.747 1.00 0.00 H new ATOM 0 HG2 GLN P 1 -4.276 5.627 25.518 1.00 0.00 H new ATOM 0 HG3 GLN P 1 -4.085 3.916 25.844 1.00 0.00 H new ATOM 0 HE21 GLN P 1 -2.517 4.144 23.969 1.00 0.00 H new ATOM 0 HE22 GLN P 1 -3.173 3.993 22.336 1.00 0.00 H new ATOM 38 N ARG P 2 -8.094 2.527 24.176 1.00 0.00 N ATOM 39 CA ARG P 2 -8.639 1.684 23.088 1.00 0.00 C ATOM 40 C ARG P 2 -8.034 1.974 21.701 1.00 0.00 C ATOM 41 O ARG P 2 -8.760 2.148 20.719 1.00 0.00 O ATOM 42 CB ARG P 2 -10.183 1.759 23.107 1.00 0.00 C ATOM 43 CG ARG P 2 -10.867 1.327 24.420 1.00 0.00 C ATOM 44 CD ARG P 2 -10.716 -0.165 24.756 1.00 0.00 C ATOM 45 NE ARG P 2 -9.418 -0.484 25.389 1.00 0.00 N ATOM 46 CZ ARG P 2 -8.764 -1.630 25.333 1.00 0.00 C ATOM 47 NH1 ARG P 2 -9.190 -2.654 24.649 1.00 0.00 N ATOM 48 NH2 ARG P 2 -7.647 -1.759 25.982 1.00 0.00 N ATOM 0 H ARG P 2 -8.704 3.314 24.397 1.00 0.00 H new ATOM 0 HA ARG P 2 -8.335 0.655 23.283 1.00 0.00 H new ATOM 0 HB2 ARG P 2 -10.479 2.785 22.887 1.00 0.00 H new ATOM 0 HB3 ARG P 2 -10.567 1.136 22.299 1.00 0.00 H new ATOM 0 HG2 ARG P 2 -10.455 1.915 25.240 1.00 0.00 H new ATOM 0 HG3 ARG P 2 -11.928 1.567 24.358 1.00 0.00 H new ATOM 0 HD2 ARG P 2 -11.524 -0.465 25.424 1.00 0.00 H new ATOM 0 HD3 ARG P 2 -10.823 -0.751 23.843 1.00 0.00 H new ATOM 0 HE ARG P 2 -8.980 0.263 25.928 1.00 0.00 H new ATOM 0 HH11 ARG P 2 -10.064 -2.591 24.127 1.00 0.00 H new ATOM 0 HH12 ARG P 2 -8.650 -3.519 24.636 1.00 0.00 H new ATOM 0 HH21 ARG P 2 -7.282 -0.979 26.529 1.00 0.00 H new ATOM 0 HH22 ARG P 2 -7.135 -2.640 25.945 1.00 0.00 H new ATOM 62 N ARG P 3 -6.698 2.028 21.624 1.00 0.00 N ATOM 63 CA ARG P 3 -5.884 2.279 20.411 1.00 0.00 C ATOM 64 C ARG P 3 -6.348 3.528 19.638 1.00 0.00 C ATOM 65 O ARG P 3 -6.529 3.508 18.420 1.00 0.00 O ATOM 66 CB ARG P 3 -5.768 1.006 19.541 1.00 0.00 C ATOM 67 CG ARG P 3 -4.960 -0.143 20.171 1.00 0.00 C ATOM 68 CD ARG P 3 -5.703 -0.938 21.256 1.00 0.00 C ATOM 69 NE ARG P 3 -4.949 -2.145 21.654 1.00 0.00 N ATOM 70 CZ ARG P 3 -5.005 -3.346 21.103 1.00 0.00 C ATOM 71 NH1 ARG P 3 -5.771 -3.613 20.082 1.00 0.00 N ATOM 72 NH2 ARG P 3 -4.277 -4.318 21.574 1.00 0.00 N ATOM 0 H ARG P 3 -6.116 1.891 22.450 1.00 0.00 H new ATOM 0 HA ARG P 3 -4.870 2.517 20.733 1.00 0.00 H new ATOM 0 HB2 ARG P 3 -6.772 0.644 19.318 1.00 0.00 H new ATOM 0 HB3 ARG P 3 -5.308 1.275 18.590 1.00 0.00 H new ATOM 0 HG2 ARG P 3 -4.657 -0.830 19.381 1.00 0.00 H new ATOM 0 HG3 ARG P 3 -4.048 0.268 20.603 1.00 0.00 H new ATOM 0 HD2 ARG P 3 -5.863 -0.304 22.128 1.00 0.00 H new ATOM 0 HD3 ARG P 3 -6.687 -1.227 20.887 1.00 0.00 H new ATOM 0 HE ARG P 3 -4.313 -2.040 22.444 1.00 0.00 H new ATOM 0 HH11 ARG P 3 -6.357 -2.882 19.679 1.00 0.00 H new ATOM 0 HH12 ARG P 3 -5.785 -4.553 19.687 1.00 0.00 H new ATOM 0 HH21 ARG P 3 -3.661 -4.154 22.370 1.00 0.00 H new ATOM 0 HH22 ARG P 3 -4.323 -5.243 21.146 1.00 0.00 H new ATOM 86 N GLN P 4 -6.559 4.623 20.369 1.00 0.00 N ATOM 87 CA GLN P 4 -7.132 5.886 19.885 1.00 0.00 C ATOM 88 C GLN P 4 -6.084 6.751 19.150 1.00 0.00 C ATOM 89 O GLN P 4 -5.707 7.836 19.601 1.00 0.00 O ATOM 90 CB GLN P 4 -7.831 6.586 21.071 1.00 0.00 C ATOM 91 CG GLN P 4 -8.718 7.780 20.678 1.00 0.00 C ATOM 92 CD GLN P 4 -9.837 7.399 19.709 1.00 0.00 C ATOM 93 OE1 GLN P 4 -9.746 7.596 18.505 1.00 0.00 O ATOM 94 NE2 GLN P 4 -10.918 6.815 20.183 1.00 0.00 N ATOM 0 H GLN P 4 -6.325 4.658 21.361 1.00 0.00 H new ATOM 0 HA GLN P 4 -7.888 5.698 19.122 1.00 0.00 H new ATOM 0 HB2 GLN P 4 -8.443 5.854 21.598 1.00 0.00 H new ATOM 0 HB3 GLN P 4 -7.071 6.930 21.772 1.00 0.00 H new ATOM 0 HG2 GLN P 4 -9.156 8.212 21.578 1.00 0.00 H new ATOM 0 HG3 GLN P 4 -8.098 8.552 20.223 1.00 0.00 H new ATOM 0 HE21 GLN P 4 -11.008 6.644 21.185 1.00 0.00 H new ATOM 0 HE22 GLN P 4 -11.665 6.533 19.549 1.00 0.00 H new ATOM 103 N ARG P 5 -5.567 6.233 18.029 1.00 0.00 N ATOM 104 CA ARG P 5 -4.555 6.842 17.138 1.00 0.00 C ATOM 105 C ARG P 5 -5.044 6.870 15.684 1.00 0.00 C ATOM 106 O ARG P 5 -5.940 6.110 15.307 1.00 0.00 O ATOM 107 CB ARG P 5 -3.226 6.056 17.236 1.00 0.00 C ATOM 108 CG ARG P 5 -2.530 6.011 18.612 1.00 0.00 C ATOM 109 CD ARG P 5 -1.910 7.342 19.065 1.00 0.00 C ATOM 110 NE ARG P 5 -2.932 8.287 19.544 1.00 0.00 N ATOM 111 CZ ARG P 5 -2.779 9.542 19.911 1.00 0.00 C ATOM 112 NH1 ARG P 5 -1.618 10.135 19.922 1.00 0.00 N ATOM 113 NH2 ARG P 5 -3.827 10.222 20.276 1.00 0.00 N ATOM 0 H ARG P 5 -5.860 5.316 17.692 1.00 0.00 H new ATOM 0 HA ARG P 5 -4.391 7.870 17.460 1.00 0.00 H new ATOM 0 HB2 ARG P 5 -3.417 5.030 16.921 1.00 0.00 H new ATOM 0 HB3 ARG P 5 -2.527 6.485 16.518 1.00 0.00 H new ATOM 0 HG2 ARG P 5 -3.255 5.691 19.360 1.00 0.00 H new ATOM 0 HG3 ARG P 5 -1.747 5.253 18.583 1.00 0.00 H new ATOM 0 HD2 ARG P 5 -1.188 7.155 19.859 1.00 0.00 H new ATOM 0 HD3 ARG P 5 -1.362 7.789 18.235 1.00 0.00 H new ATOM 0 HE ARG P 5 -3.883 7.922 19.599 1.00 0.00 H new ATOM 0 HH11 ARG P 5 -0.782 9.624 19.639 1.00 0.00 H new ATOM 0 HH12 ARG P 5 -1.546 11.110 20.214 1.00 0.00 H new ATOM 0 HH21 ARG P 5 -4.747 9.781 20.274 1.00 0.00 H new ATOM 0 HH22 ARG P 5 -3.728 11.196 20.564 1.00 0.00 H new ATOM 127 N THR P 6 -4.425 7.708 14.848 1.00 0.00 N ATOM 128 CA THR P 6 -4.763 7.863 13.415 1.00 0.00 C ATOM 129 C THR P 6 -4.466 6.597 12.593 1.00 0.00 C ATOM 130 O THR P 6 -5.151 6.334 11.604 1.00 0.00 O ATOM 131 CB THR P 6 -4.005 9.058 12.802 1.00 0.00 C ATOM 132 OG1 THR P 6 -3.981 10.143 13.712 1.00 0.00 O ATOM 133 CG2 THR P 6 -4.656 9.575 11.516 1.00 0.00 C ATOM 0 H THR P 6 -3.659 8.313 15.146 1.00 0.00 H new ATOM 0 HA THR P 6 -5.837 8.043 13.372 1.00 0.00 H new ATOM 0 HB THR P 6 -3.003 8.692 12.579 1.00 0.00 H new ATOM 0 HG1 THR P 6 -3.496 10.895 13.312 1.00 0.00 H new ATOM 0 HG21 THR P 6 -4.080 10.416 11.129 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.678 8.778 10.773 1.00 0.00 H new ATOM 0 HG23 THR P 6 -5.674 9.900 11.729 1.00 0.00 H new ATOM 141 N HIS P 7 -3.483 5.789 13.026 1.00 0.00 N ATOM 142 CA HIS P 7 -3.053 4.479 12.485 1.00 0.00 C ATOM 143 C HIS P 7 -2.461 4.486 11.059 1.00 0.00 C ATOM 144 O HIS P 7 -1.544 3.715 10.773 1.00 0.00 O ATOM 145 CB HIS P 7 -4.207 3.472 12.660 1.00 0.00 C ATOM 146 CG HIS P 7 -3.818 2.014 12.608 1.00 0.00 C ATOM 147 ND1 HIS P 7 -4.416 1.046 11.796 1.00 0.00 N ATOM 148 CD2 HIS P 7 -2.936 1.398 13.449 1.00 0.00 C ATOM 149 CE1 HIS P 7 -3.878 -0.129 12.164 1.00 0.00 C ATOM 150 NE2 HIS P 7 -2.981 0.053 13.148 1.00 0.00 N ATOM 0 H HIS P 7 -2.918 6.054 13.832 1.00 0.00 H new ATOM 0 HA HIS P 7 -2.189 4.168 13.072 1.00 0.00 H new ATOM 0 HB2 HIS P 7 -4.692 3.666 13.617 1.00 0.00 H new ATOM 0 HB3 HIS P 7 -4.949 3.659 11.883 1.00 0.00 H new ATOM 0 HD1 HIS P 7 -5.118 1.200 11.072 1.00 0.00 H new ATOM 0 HD2 HIS P 7 -2.323 1.871 14.202 1.00 0.00 H new ATOM 0 HE1 HIS P 7 -4.131 -1.085 11.730 1.00 0.00 H new ATOM 158 N PHE P 8 -2.923 5.379 10.187 1.00 0.00 N ATOM 159 CA PHE P 8 -2.414 5.659 8.838 1.00 0.00 C ATOM 160 C PHE P 8 -1.958 7.125 8.727 1.00 0.00 C ATOM 161 O PHE P 8 -2.345 7.968 9.542 1.00 0.00 O ATOM 162 CB PHE P 8 -3.516 5.370 7.809 1.00 0.00 C ATOM 163 CG PHE P 8 -3.975 3.926 7.706 1.00 0.00 C ATOM 164 CD1 PHE P 8 -4.908 3.407 8.626 1.00 0.00 C ATOM 165 CD2 PHE P 8 -3.508 3.109 6.658 1.00 0.00 C ATOM 166 CE1 PHE P 8 -5.358 2.080 8.508 1.00 0.00 C ATOM 167 CE2 PHE P 8 -3.974 1.789 6.530 1.00 0.00 C ATOM 168 CZ PHE P 8 -4.896 1.272 7.457 1.00 0.00 C ATOM 0 H PHE P 8 -3.721 5.971 10.417 1.00 0.00 H new ATOM 0 HA PHE P 8 -1.555 5.018 8.641 1.00 0.00 H new ATOM 0 HB2 PHE P 8 -4.381 5.988 8.050 1.00 0.00 H new ATOM 0 HB3 PHE P 8 -3.161 5.687 6.829 1.00 0.00 H new ATOM 0 HD1 PHE P 8 -5.279 4.031 9.425 1.00 0.00 H new ATOM 0 HD2 PHE P 8 -2.790 3.498 5.951 1.00 0.00 H new ATOM 0 HE1 PHE P 8 -6.059 1.682 9.226 1.00 0.00 H new ATOM 0 HE2 PHE P 8 -3.623 1.170 5.717 1.00 0.00 H new ATOM 0 HZ PHE P 8 -5.248 0.256 7.361 1.00 0.00 H new ATOM 178 N THR P 9 -1.164 7.449 7.705 1.00 0.00 N ATOM 179 CA THR P 9 -0.724 8.828 7.412 1.00 0.00 C ATOM 180 C THR P 9 -1.631 9.504 6.386 1.00 0.00 C ATOM 181 O THR P 9 -2.241 8.841 5.543 1.00 0.00 O ATOM 182 CB THR P 9 0.738 8.910 6.932 1.00 0.00 C ATOM 183 OG1 THR P 9 0.842 8.560 5.569 1.00 0.00 O ATOM 184 CG2 THR P 9 1.696 8.020 7.718 1.00 0.00 C ATOM 0 H THR P 9 -0.801 6.760 7.047 1.00 0.00 H new ATOM 0 HA THR P 9 -0.793 9.358 8.362 1.00 0.00 H new ATOM 0 HB THR P 9 1.028 9.948 7.095 1.00 0.00 H new ATOM 0 HG1 THR P 9 1.778 8.621 5.286 1.00 0.00 H new ATOM 0 HG21 THR P 9 2.705 8.132 7.322 1.00 0.00 H new ATOM 0 HG22 THR P 9 1.684 8.311 8.768 1.00 0.00 H new ATOM 0 HG23 THR P 9 1.384 6.980 7.626 1.00 0.00 H new ATOM 192 N SER P 10 -1.647 10.839 6.369 1.00 0.00 N ATOM 193 CA SER P 10 -2.346 11.633 5.343 1.00 0.00 C ATOM 194 C SER P 10 -1.796 11.440 3.919 1.00 0.00 C ATOM 195 O SER P 10 -2.396 11.942 2.971 1.00 0.00 O ATOM 196 CB SER P 10 -2.317 13.122 5.701 1.00 0.00 C ATOM 197 OG SER P 10 -2.694 13.333 7.055 1.00 0.00 O ATOM 0 H SER P 10 -1.173 11.408 7.070 1.00 0.00 H new ATOM 0 HA SER P 10 -3.371 11.262 5.338 1.00 0.00 H new ATOM 0 HB2 SER P 10 -1.316 13.519 5.533 1.00 0.00 H new ATOM 0 HB3 SER P 10 -2.992 13.670 5.043 1.00 0.00 H new ATOM 0 HG SER P 10 -2.665 14.292 7.257 1.00 0.00 H new ATOM 203 N GLN P 11 -0.685 10.712 3.744 1.00 0.00 N ATOM 204 CA GLN P 11 -0.197 10.265 2.437 1.00 0.00 C ATOM 205 C GLN P 11 -0.755 8.873 2.086 1.00 0.00 C ATOM 206 O GLN P 11 -1.251 8.677 0.978 1.00 0.00 O ATOM 207 CB GLN P 11 1.340 10.305 2.432 1.00 0.00 C ATOM 208 CG GLN P 11 1.902 10.162 1.008 1.00 0.00 C ATOM 209 CD GLN P 11 3.431 10.234 0.936 1.00 0.00 C ATOM 210 OE1 GLN P 11 4.147 10.365 1.922 1.00 0.00 O ATOM 211 NE2 GLN P 11 4.000 10.150 -0.249 1.00 0.00 N ATOM 0 H GLN P 11 -0.093 10.414 4.519 1.00 0.00 H new ATOM 0 HA GLN P 11 -0.555 10.939 1.659 1.00 0.00 H new ATOM 0 HB2 GLN P 11 1.682 11.244 2.867 1.00 0.00 H new ATOM 0 HB3 GLN P 11 1.728 9.503 3.060 1.00 0.00 H new ATOM 0 HG2 GLN P 11 1.572 9.210 0.591 1.00 0.00 H new ATOM 0 HG3 GLN P 11 1.481 10.948 0.381 1.00 0.00 H new ATOM 0 HE21 GLN P 11 3.425 10.041 -1.084 1.00 0.00 H new ATOM 0 HE22 GLN P 11 5.016 10.194 -0.331 1.00 0.00 H new ATOM 220 N GLN P 12 -0.755 7.922 3.031 1.00 0.00 N ATOM 221 CA GLN P 12 -1.266 6.559 2.815 1.00 0.00 C ATOM 222 C GLN P 12 -2.766 6.570 2.503 1.00 0.00 C ATOM 223 O GLN P 12 -3.211 5.943 1.543 1.00 0.00 O ATOM 224 CB GLN P 12 -1.021 5.703 4.064 1.00 0.00 C ATOM 225 CG GLN P 12 0.464 5.428 4.304 1.00 0.00 C ATOM 226 CD GLN P 12 0.713 4.713 5.627 1.00 0.00 C ATOM 227 OE1 GLN P 12 0.019 4.893 6.619 1.00 0.00 O ATOM 228 NE2 GLN P 12 1.717 3.872 5.679 1.00 0.00 N ATOM 0 H GLN P 12 -0.398 8.077 3.974 1.00 0.00 H new ATOM 0 HA GLN P 12 -0.735 6.136 1.962 1.00 0.00 H new ATOM 0 HB2 GLN P 12 -1.439 6.209 4.935 1.00 0.00 H new ATOM 0 HB3 GLN P 12 -1.550 4.756 3.961 1.00 0.00 H new ATOM 0 HG2 GLN P 12 0.856 4.822 3.487 1.00 0.00 H new ATOM 0 HG3 GLN P 12 1.012 6.370 4.294 1.00 0.00 H new ATOM 0 HE21 GLN P 12 2.298 3.719 4.854 1.00 0.00 H new ATOM 0 HE22 GLN P 12 1.918 3.370 6.544 1.00 0.00 H new ATOM 237 N LEU P 13 -3.535 7.338 3.283 1.00 0.00 N ATOM 238 CA LEU P 13 -4.987 7.493 3.140 1.00 0.00 C ATOM 239 C LEU P 13 -5.402 7.986 1.745 1.00 0.00 C ATOM 240 O LEU P 13 -6.451 7.587 1.238 1.00 0.00 O ATOM 241 CB LEU P 13 -5.468 8.488 4.210 1.00 0.00 C ATOM 242 CG LEU P 13 -5.302 7.982 5.658 1.00 0.00 C ATOM 243 CD1 LEU P 13 -5.444 9.133 6.650 1.00 0.00 C ATOM 244 CD2 LEU P 13 -6.315 6.890 5.982 1.00 0.00 C ATOM 0 H LEU P 13 -3.153 7.885 4.054 1.00 0.00 H new ATOM 0 HA LEU P 13 -5.449 6.514 3.270 1.00 0.00 H new ATOM 0 HB2 LEU P 13 -4.917 9.422 4.097 1.00 0.00 H new ATOM 0 HB3 LEU P 13 -6.519 8.715 4.034 1.00 0.00 H new ATOM 0 HG LEU P 13 -4.301 7.559 5.746 1.00 0.00 H new ATOM 0 HD11 LEU P 13 -5.324 8.755 7.665 1.00 0.00 H new ATOM 0 HD12 LEU P 13 -4.679 9.883 6.449 1.00 0.00 H new ATOM 0 HD13 LEU P 13 -6.431 9.584 6.545 1.00 0.00 H new ATOM 0 HD21 LEU P 13 -6.172 6.554 7.009 1.00 0.00 H new ATOM 0 HD22 LEU P 13 -7.325 7.284 5.866 1.00 0.00 H new ATOM 0 HD23 LEU P 13 -6.174 6.049 5.303 1.00 0.00 H new ATOM 256 N GLN P 14 -4.571 8.818 1.108 1.00 0.00 N ATOM 257 CA GLN P 14 -4.824 9.329 -0.241 1.00 0.00 C ATOM 258 C GLN P 14 -4.563 8.273 -1.317 1.00 0.00 C ATOM 259 O GLN P 14 -5.344 8.167 -2.258 1.00 0.00 O ATOM 260 CB GLN P 14 -3.999 10.599 -0.502 1.00 0.00 C ATOM 261 CG GLN P 14 -4.429 11.768 0.396 1.00 0.00 C ATOM 262 CD GLN P 14 -5.899 12.133 0.205 1.00 0.00 C ATOM 263 OE1 GLN P 14 -6.315 12.645 -0.826 1.00 0.00 O ATOM 264 NE2 GLN P 14 -6.744 11.822 1.165 1.00 0.00 N ATOM 0 H GLN P 14 -3.700 9.157 1.517 1.00 0.00 H new ATOM 0 HA GLN P 14 -5.882 9.585 -0.299 1.00 0.00 H new ATOM 0 HB2 GLN P 14 -2.943 10.385 -0.335 1.00 0.00 H new ATOM 0 HB3 GLN P 14 -4.104 10.889 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN P 14 -4.254 11.505 1.439 1.00 0.00 H new ATOM 0 HG3 GLN P 14 -3.809 12.638 0.178 1.00 0.00 H new ATOM 0 HE21 GLN P 14 -6.403 11.395 2.026 1.00 0.00 H new ATOM 0 HE22 GLN P 14 -7.740 12.008 1.048 1.00 0.00 H new ATOM 273 N GLU P 15 -3.528 7.442 -1.165 1.00 0.00 N ATOM 274 CA GLU P 15 -3.293 6.318 -2.083 1.00 0.00 C ATOM 275 C GLU P 15 -4.365 5.231 -1.937 1.00 0.00 C ATOM 276 O GLU P 15 -4.793 4.652 -2.935 1.00 0.00 O ATOM 277 CB GLU P 15 -1.889 5.727 -1.888 1.00 0.00 C ATOM 278 CG GLU P 15 -0.752 6.747 -2.054 1.00 0.00 C ATOM 279 CD GLU P 15 -0.782 7.538 -3.382 1.00 0.00 C ATOM 280 OE1 GLU P 15 -1.203 6.995 -4.431 1.00 0.00 O ATOM 281 OE2 GLU P 15 -0.356 8.720 -3.387 1.00 0.00 O ATOM 0 H GLU P 15 -2.839 7.524 -0.417 1.00 0.00 H new ATOM 0 HA GLU P 15 -3.359 6.712 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU P 15 -1.826 5.287 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU P 15 -1.744 4.918 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU P 15 -0.792 7.454 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU P 15 0.201 6.223 -1.980 1.00 0.00 H new ATOM 288 N LEU P 16 -4.862 5.008 -0.717 1.00 0.00 N ATOM 289 CA LEU P 16 -5.957 4.085 -0.431 1.00 0.00 C ATOM 290 C LEU P 16 -7.273 4.565 -1.060 1.00 0.00 C ATOM 291 O LEU P 16 -7.883 3.822 -1.831 1.00 0.00 O ATOM 292 CB LEU P 16 -6.070 3.918 1.091 1.00 0.00 C ATOM 293 CG LEU P 16 -4.915 3.089 1.684 1.00 0.00 C ATOM 294 CD1 LEU P 16 -4.732 3.397 3.166 1.00 0.00 C ATOM 295 CD2 LEU P 16 -5.185 1.594 1.525 1.00 0.00 C ATOM 0 H LEU P 16 -4.504 5.476 0.116 1.00 0.00 H new ATOM 0 HA LEU P 16 -5.747 3.114 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU P 16 -6.085 4.902 1.560 1.00 0.00 H new ATOM 0 HB3 LEU P 16 -7.018 3.436 1.330 1.00 0.00 H new ATOM 0 HG LEU P 16 -4.009 3.357 1.141 1.00 0.00 H new ATOM 0 HD11 LEU P 16 -3.911 2.800 3.563 1.00 0.00 H new ATOM 0 HD12 LEU P 16 -4.505 4.456 3.292 1.00 0.00 H new ATOM 0 HD13 LEU P 16 -5.649 3.156 3.704 1.00 0.00 H new ATOM 0 HD21 LEU P 16 -4.357 1.027 1.951 1.00 0.00 H new ATOM 0 HD22 LEU P 16 -6.107 1.334 2.044 1.00 0.00 H new ATOM 0 HD23 LEU P 16 -5.284 1.353 0.467 1.00 0.00 H new ATOM 307 N GLU P 17 -7.690 5.814 -0.821 1.00 0.00 N ATOM 308 CA GLU P 17 -8.950 6.312 -1.393 1.00 0.00 C ATOM 309 C GLU P 17 -8.892 6.618 -2.895 1.00 0.00 C ATOM 310 O GLU P 17 -9.935 6.603 -3.551 1.00 0.00 O ATOM 311 CB GLU P 17 -9.572 7.440 -0.559 1.00 0.00 C ATOM 312 CG GLU P 17 -9.088 8.877 -0.797 1.00 0.00 C ATOM 313 CD GLU P 17 -9.828 9.882 0.118 1.00 0.00 C ATOM 314 OE1 GLU P 17 -10.939 9.570 0.620 1.00 0.00 O ATOM 315 OE2 GLU P 17 -9.309 11.005 0.334 1.00 0.00 O ATOM 0 H GLU P 17 -7.185 6.489 -0.246 1.00 0.00 H new ATOM 0 HA GLU P 17 -9.640 5.471 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU P 17 -10.649 7.421 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU P 17 -9.408 7.204 0.493 1.00 0.00 H new ATOM 0 HG2 GLU P 17 -8.015 8.936 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU P 17 -9.247 9.148 -1.841 1.00 0.00 H new ATOM 322 N ALA P 18 -7.697 6.815 -3.462 1.00 0.00 N ATOM 323 CA ALA P 18 -7.495 6.897 -4.910 1.00 0.00 C ATOM 324 C ALA P 18 -7.499 5.510 -5.576 1.00 0.00 C ATOM 325 O ALA P 18 -8.163 5.322 -6.596 1.00 0.00 O ATOM 326 CB ALA P 18 -6.199 7.659 -5.208 1.00 0.00 C ATOM 0 H ALA P 18 -6.837 6.923 -2.924 1.00 0.00 H new ATOM 0 HA ALA P 18 -8.334 7.445 -5.340 1.00 0.00 H new ATOM 0 HB1 ALA P 18 -6.052 7.718 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA P 18 -6.266 8.666 -4.795 1.00 0.00 H new ATOM 0 HB3 ALA P 18 -5.357 7.136 -4.755 1.00 0.00 H new ATOM 332 N THR P 19 -6.821 4.508 -5.002 1.00 0.00 N ATOM 333 CA THR P 19 -6.779 3.158 -5.593 1.00 0.00 C ATOM 334 C THR P 19 -8.121 2.420 -5.465 1.00 0.00 C ATOM 335 O THR P 19 -8.496 1.634 -6.334 1.00 0.00 O ATOM 336 CB THR P 19 -5.579 2.354 -5.075 1.00 0.00 C ATOM 337 OG1 THR P 19 -5.161 1.483 -6.106 1.00 0.00 O ATOM 338 CG2 THR P 19 -5.851 1.553 -3.802 1.00 0.00 C ATOM 0 H THR P 19 -6.295 4.602 -4.133 1.00 0.00 H new ATOM 0 HA THR P 19 -6.623 3.273 -6.666 1.00 0.00 H new ATOM 0 HB THR P 19 -4.806 3.072 -4.802 1.00 0.00 H new ATOM 0 HG1 THR P 19 -4.392 0.958 -5.799 1.00 0.00 H new ATOM 0 HG21 THR P 19 -4.948 1.017 -3.510 1.00 0.00 H new ATOM 0 HG22 THR P 19 -6.146 2.231 -3.001 1.00 0.00 H new ATOM 0 HG23 THR P 19 -6.654 0.839 -3.986 1.00 0.00 H new ATOM 346 N PHE P 20 -8.917 2.776 -4.453 1.00 0.00 N ATOM 347 CA PHE P 20 -10.318 2.372 -4.288 1.00 0.00 C ATOM 348 C PHE P 20 -11.192 2.779 -5.492 1.00 0.00 C ATOM 349 O PHE P 20 -12.168 2.095 -5.793 1.00 0.00 O ATOM 350 CB PHE P 20 -10.828 2.994 -2.972 1.00 0.00 C ATOM 351 CG PHE P 20 -12.313 2.857 -2.667 1.00 0.00 C ATOM 352 CD1 PHE P 20 -12.956 1.604 -2.737 1.00 0.00 C ATOM 353 CD2 PHE P 20 -13.056 3.992 -2.286 1.00 0.00 C ATOM 354 CE1 PHE P 20 -14.328 1.492 -2.453 1.00 0.00 C ATOM 355 CE2 PHE P 20 -14.430 3.881 -2.003 1.00 0.00 C ATOM 356 CZ PHE P 20 -15.066 2.630 -2.086 1.00 0.00 C ATOM 0 H PHE P 20 -8.591 3.377 -3.696 1.00 0.00 H new ATOM 0 HA PHE P 20 -10.384 1.285 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE P 20 -10.271 2.546 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE P 20 -10.582 4.056 -2.983 1.00 0.00 H new ATOM 0 HD1 PHE P 20 -12.391 0.725 -3.010 1.00 0.00 H new ATOM 0 HD2 PHE P 20 -12.568 4.953 -2.211 1.00 0.00 H new ATOM 0 HE1 PHE P 20 -14.815 0.530 -2.517 1.00 0.00 H new ATOM 0 HE2 PHE P 20 -14.996 4.757 -1.722 1.00 0.00 H new ATOM 0 HZ PHE P 20 -16.120 2.544 -1.868 1.00 0.00 H new ATOM 366 N GLN P 21 -10.827 3.837 -6.233 1.00 0.00 N ATOM 367 CA GLN P 21 -11.567 4.269 -7.426 1.00 0.00 C ATOM 368 C GLN P 21 -11.334 3.360 -8.646 1.00 0.00 C ATOM 369 O GLN P 21 -12.274 3.102 -9.403 1.00 0.00 O ATOM 370 CB GLN P 21 -11.209 5.715 -7.809 1.00 0.00 C ATOM 371 CG GLN P 21 -11.338 6.757 -6.691 1.00 0.00 C ATOM 372 CD GLN P 21 -12.655 6.677 -5.926 1.00 0.00 C ATOM 373 OE1 GLN P 21 -13.743 6.655 -6.486 1.00 0.00 O ATOM 374 NE2 GLN P 21 -12.602 6.621 -4.615 1.00 0.00 N ATOM 0 H GLN P 21 -10.013 4.414 -6.022 1.00 0.00 H new ATOM 0 HA GLN P 21 -12.620 4.203 -7.154 1.00 0.00 H new ATOM 0 HB2 GLN P 21 -10.183 5.729 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN P 21 -11.848 6.019 -8.638 1.00 0.00 H new ATOM 0 HG2 GLN P 21 -10.513 6.629 -5.990 1.00 0.00 H new ATOM 0 HG3 GLN P 21 -11.238 7.753 -7.122 1.00 0.00 H new ATOM 0 HE21 GLN P 21 -11.700 6.639 -4.140 1.00 0.00 H new ATOM 0 HE22 GLN P 21 -13.463 6.560 -4.072 1.00 0.00 H new ATOM 383 N ARG P 22 -10.101 2.860 -8.838 1.00 0.00 N ATOM 384 CA ARG P 22 -9.752 1.919 -9.925 1.00 0.00 C ATOM 385 C ARG P 22 -10.061 0.462 -9.573 1.00 0.00 C ATOM 386 O ARG P 22 -10.324 -0.341 -10.469 1.00 0.00 O ATOM 387 CB ARG P 22 -8.285 2.097 -10.367 1.00 0.00 C ATOM 388 CG ARG P 22 -7.257 1.779 -9.270 1.00 0.00 C ATOM 389 CD ARG P 22 -5.807 1.824 -9.759 1.00 0.00 C ATOM 390 NE ARG P 22 -5.345 3.204 -10.011 1.00 0.00 N ATOM 391 CZ ARG P 22 -4.619 3.963 -9.208 1.00 0.00 C ATOM 392 NH1 ARG P 22 -4.253 3.582 -8.016 1.00 0.00 N ATOM 393 NH2 ARG P 22 -4.239 5.148 -9.595 1.00 0.00 N ATOM 0 H ARG P 22 -9.310 3.098 -8.240 1.00 0.00 H new ATOM 0 HA ARG P 22 -10.392 2.169 -10.771 1.00 0.00 H new ATOM 0 HB2 ARG P 22 -8.095 1.453 -11.226 1.00 0.00 H new ATOM 0 HB3 ARG P 22 -8.139 3.125 -10.700 1.00 0.00 H new ATOM 0 HG2 ARG P 22 -7.378 2.490 -8.453 1.00 0.00 H new ATOM 0 HG3 ARG P 22 -7.465 0.789 -8.865 1.00 0.00 H new ATOM 0 HD2 ARG P 22 -5.160 1.356 -9.017 1.00 0.00 H new ATOM 0 HD3 ARG P 22 -5.716 1.239 -10.674 1.00 0.00 H new ATOM 0 HE ARG P 22 -5.616 3.617 -10.903 1.00 0.00 H new ATOM 0 HH11 ARG P 22 -4.527 2.663 -7.668 1.00 0.00 H new ATOM 0 HH12 ARG P 22 -3.693 4.203 -7.432 1.00 0.00 H new ATOM 0 HH21 ARG P 22 -4.502 5.491 -10.519 1.00 0.00 H new ATOM 0 HH22 ARG P 22 -3.679 5.732 -8.974 1.00 0.00 H new ATOM 407 N ASN P 23 -10.038 0.126 -8.283 1.00 0.00 N ATOM 408 CA ASN P 23 -10.283 -1.213 -7.761 1.00 0.00 C ATOM 409 C ASN P 23 -11.159 -1.127 -6.506 1.00 0.00 C ATOM 410 O ASN P 23 -10.677 -0.826 -5.416 1.00 0.00 O ATOM 411 CB ASN P 23 -8.928 -1.887 -7.479 1.00 0.00 C ATOM 412 CG ASN P 23 -9.080 -3.359 -7.123 1.00 0.00 C ATOM 413 OD1 ASN P 23 -10.165 -3.879 -6.901 1.00 0.00 O ATOM 414 ND2 ASN P 23 -7.988 -4.085 -7.082 1.00 0.00 N ATOM 0 H ASN P 23 -9.841 0.806 -7.549 1.00 0.00 H new ATOM 0 HA ASN P 23 -10.822 -1.820 -8.489 1.00 0.00 H new ATOM 0 HB2 ASN P 23 -8.287 -1.791 -8.356 1.00 0.00 H new ATOM 0 HB3 ASN P 23 -8.429 -1.367 -6.661 1.00 0.00 H new ATOM 0 HD21 ASN P 23 -8.045 -5.080 -6.866 1.00 0.00 H new ATOM 0 HD22 ASN P 23 -7.082 -3.654 -7.267 1.00 0.00 H new ATOM 421 N HIS P 24 -12.455 -1.407 -6.657 1.00 0.00 N ATOM 422 CA HIS P 24 -13.429 -1.300 -5.564 1.00 0.00 C ATOM 423 C HIS P 24 -13.401 -2.515 -4.624 1.00 0.00 C ATOM 424 O HIS P 24 -14.010 -2.464 -3.555 1.00 0.00 O ATOM 425 CB HIS P 24 -14.831 -1.057 -6.154 1.00 0.00 C ATOM 426 CG HIS P 24 -15.040 0.325 -6.736 1.00 0.00 C ATOM 427 ND1 HIS P 24 -15.974 1.260 -6.275 1.00 0.00 N ATOM 428 CD2 HIS P 24 -14.371 0.869 -7.797 1.00 0.00 C ATOM 429 CE1 HIS P 24 -15.829 2.347 -7.054 1.00 0.00 C ATOM 430 NE2 HIS P 24 -14.876 2.136 -7.977 1.00 0.00 N ATOM 0 H HIS P 24 -12.861 -1.715 -7.541 1.00 0.00 H new ATOM 0 HA HIS P 24 -13.153 -0.448 -4.942 1.00 0.00 H new ATOM 0 HB2 HIS P 24 -15.016 -1.797 -6.933 1.00 0.00 H new ATOM 0 HB3 HIS P 24 -15.573 -1.224 -5.373 1.00 0.00 H new ATOM 0 HD2 HIS P 24 -13.596 0.395 -8.381 1.00 0.00 H new ATOM 0 HE1 HIS P 24 -16.398 3.259 -6.952 1.00 0.00 H new ATOM 0 HE2 HIS P 24 -14.578 2.802 -8.690 1.00 0.00 H new ATOM 438 N TYR P 25 -12.722 -3.605 -4.994 1.00 0.00 N ATOM 439 CA TYR P 25 -12.715 -4.883 -4.269 1.00 0.00 C ATOM 440 C TYR P 25 -11.379 -5.647 -4.456 1.00 0.00 C ATOM 441 O TYR P 25 -11.348 -6.711 -5.084 1.00 0.00 O ATOM 442 CB TYR P 25 -13.969 -5.706 -4.650 1.00 0.00 C ATOM 443 CG TYR P 25 -14.334 -5.762 -6.129 1.00 0.00 C ATOM 444 CD1 TYR P 25 -15.193 -4.785 -6.674 1.00 0.00 C ATOM 445 CD2 TYR P 25 -13.848 -6.795 -6.955 1.00 0.00 C ATOM 446 CE1 TYR P 25 -15.529 -4.814 -8.041 1.00 0.00 C ATOM 447 CE2 TYR P 25 -14.184 -6.831 -8.323 1.00 0.00 C ATOM 448 CZ TYR P 25 -15.023 -5.836 -8.871 1.00 0.00 C ATOM 449 OH TYR P 25 -15.354 -5.861 -10.193 1.00 0.00 O ATOM 0 H TYR P 25 -12.143 -3.625 -5.833 1.00 0.00 H new ATOM 0 HA TYR P 25 -12.773 -4.690 -3.198 1.00 0.00 H new ATOM 0 HB2 TYR P 25 -13.825 -6.727 -4.297 1.00 0.00 H new ATOM 0 HB3 TYR P 25 -14.821 -5.298 -4.106 1.00 0.00 H new ATOM 0 HD1 TYR P 25 -15.596 -4.010 -6.039 1.00 0.00 H new ATOM 0 HD2 TYR P 25 -13.214 -7.563 -6.537 1.00 0.00 H new ATOM 0 HE1 TYR P 25 -16.175 -4.053 -8.454 1.00 0.00 H new ATOM 0 HE2 TYR P 25 -13.800 -7.620 -8.953 1.00 0.00 H new ATOM 0 HH TYR P 25 -14.922 -6.628 -10.624 1.00 0.00 H new ATOM 459 N PRO P 26 -10.250 -5.123 -3.934 1.00 0.00 N ATOM 460 CA PRO P 26 -8.939 -5.756 -4.072 1.00 0.00 C ATOM 461 C PRO P 26 -8.841 -7.091 -3.309 1.00 0.00 C ATOM 462 O PRO P 26 -9.575 -7.360 -2.354 1.00 0.00 O ATOM 463 CB PRO P 26 -7.932 -4.712 -3.583 1.00 0.00 C ATOM 464 CG PRO P 26 -8.729 -3.950 -2.529 1.00 0.00 C ATOM 465 CD PRO P 26 -10.128 -3.903 -3.146 1.00 0.00 C ATOM 0 HA PRO P 26 -8.740 -6.039 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO P 26 -7.040 -5.175 -3.161 1.00 0.00 H new ATOM 0 HB3 PRO P 26 -7.600 -4.059 -4.391 1.00 0.00 H new ATOM 0 HG2 PRO P 26 -8.726 -4.463 -1.568 1.00 0.00 H new ATOM 0 HG3 PRO P 26 -8.326 -2.952 -2.358 1.00 0.00 H new ATOM 0 HD2 PRO P 26 -10.896 -3.857 -2.374 1.00 0.00 H new ATOM 0 HD3 PRO P 26 -10.251 -3.019 -3.771 1.00 0.00 H new ATOM 473 N ASP P 27 -7.899 -7.927 -3.735 1.00 0.00 N ATOM 474 CA ASP P 27 -7.660 -9.305 -3.273 1.00 0.00 C ATOM 475 C ASP P 27 -6.239 -9.440 -2.700 1.00 0.00 C ATOM 476 O ASP P 27 -5.495 -8.467 -2.688 1.00 0.00 O ATOM 477 CB ASP P 27 -7.909 -10.263 -4.457 1.00 0.00 C ATOM 478 CG ASP P 27 -8.051 -11.750 -4.076 1.00 0.00 C ATOM 479 OD1 ASP P 27 -8.136 -12.075 -2.867 1.00 0.00 O ATOM 480 OD2 ASP P 27 -8.076 -12.601 -4.995 1.00 0.00 O ATOM 0 H ASP P 27 -7.236 -7.650 -4.458 1.00 0.00 H new ATOM 0 HA ASP P 27 -8.345 -9.564 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP P 27 -8.815 -9.948 -4.974 1.00 0.00 H new ATOM 0 HB3 ASP P 27 -7.086 -10.162 -5.165 1.00 0.00 H new ATOM 485 N MET P 28 -5.819 -10.620 -2.236 1.00 0.00 N ATOM 486 CA MET P 28 -4.473 -10.832 -1.668 1.00 0.00 C ATOM 487 C MET P 28 -3.336 -10.326 -2.573 1.00 0.00 C ATOM 488 O MET P 28 -2.318 -9.850 -2.076 1.00 0.00 O ATOM 489 CB MET P 28 -4.262 -12.318 -1.329 1.00 0.00 C ATOM 490 CG MET P 28 -4.314 -13.251 -2.551 1.00 0.00 C ATOM 491 SD MET P 28 -3.716 -14.936 -2.253 1.00 0.00 S ATOM 492 CE MET P 28 -1.929 -14.608 -2.259 1.00 0.00 C ATOM 0 H MET P 28 -6.398 -11.459 -2.241 1.00 0.00 H new ATOM 0 HA MET P 28 -4.430 -10.235 -0.757 1.00 0.00 H new ATOM 0 HB2 MET P 28 -3.297 -12.434 -0.836 1.00 0.00 H new ATOM 0 HB3 MET P 28 -5.024 -12.629 -0.614 1.00 0.00 H new ATOM 0 HG2 MET P 28 -5.343 -13.304 -2.905 1.00 0.00 H new ATOM 0 HG3 MET P 28 -3.723 -12.808 -3.353 1.00 0.00 H new ATOM 0 HE1 MET P 28 -1.446 -15.240 -3.004 1.00 0.00 H new ATOM 0 HE2 MET P 28 -1.752 -13.560 -2.502 1.00 0.00 H new ATOM 0 HE3 MET P 28 -1.516 -14.827 -1.275 1.00 0.00 H new ATOM 502 N SER P 29 -3.520 -10.372 -3.893 1.00 0.00 N ATOM 503 CA SER P 29 -2.556 -9.904 -4.889 1.00 0.00 C ATOM 504 C SER P 29 -2.547 -8.377 -5.014 1.00 0.00 C ATOM 505 O SER P 29 -1.493 -7.744 -4.939 1.00 0.00 O ATOM 506 CB SER P 29 -2.891 -10.553 -6.235 1.00 0.00 C ATOM 507 OG SER P 29 -4.263 -10.365 -6.565 1.00 0.00 O ATOM 0 H SER P 29 -4.371 -10.748 -4.311 1.00 0.00 H new ATOM 0 HA SER P 29 -1.556 -10.194 -4.568 1.00 0.00 H new ATOM 0 HB2 SER P 29 -2.263 -10.124 -7.016 1.00 0.00 H new ATOM 0 HB3 SER P 29 -2.666 -11.619 -6.195 1.00 0.00 H new ATOM 0 HG SER P 29 -4.452 -10.787 -7.429 1.00 0.00 H new ATOM 513 N THR P 30 -3.725 -7.769 -5.160 1.00 0.00 N ATOM 514 CA THR P 30 -3.887 -6.321 -5.356 1.00 0.00 C ATOM 515 C THR P 30 -3.741 -5.521 -4.062 1.00 0.00 C ATOM 516 O THR P 30 -3.151 -4.445 -4.088 1.00 0.00 O ATOM 517 CB THR P 30 -5.197 -5.967 -6.075 1.00 0.00 C ATOM 518 OG1 THR P 30 -6.229 -6.893 -5.825 1.00 0.00 O ATOM 519 CG2 THR P 30 -4.998 -5.942 -7.589 1.00 0.00 C ATOM 0 H THR P 30 -4.611 -8.274 -5.146 1.00 0.00 H new ATOM 0 HA THR P 30 -3.064 -6.027 -6.007 1.00 0.00 H new ATOM 0 HB THR P 30 -5.479 -4.988 -5.687 1.00 0.00 H new ATOM 0 HG1 THR P 30 -6.977 -6.722 -6.435 1.00 0.00 H new ATOM 0 HG21 THR P 30 -5.940 -5.689 -8.076 1.00 0.00 H new ATOM 0 HG22 THR P 30 -4.246 -5.196 -7.845 1.00 0.00 H new ATOM 0 HG23 THR P 30 -4.666 -6.923 -7.929 1.00 0.00 H new ATOM 527 N ARG P 31 -4.175 -6.044 -2.911 1.00 0.00 N ATOM 528 CA ARG P 31 -3.928 -5.447 -1.590 1.00 0.00 C ATOM 529 C ARG P 31 -2.434 -5.343 -1.281 1.00 0.00 C ATOM 530 O ARG P 31 -1.979 -4.291 -0.841 1.00 0.00 O ATOM 531 CB ARG P 31 -4.649 -6.262 -0.501 1.00 0.00 C ATOM 532 CG ARG P 31 -6.173 -6.056 -0.553 1.00 0.00 C ATOM 533 CD ARG P 31 -6.927 -6.651 0.642 1.00 0.00 C ATOM 534 NE ARG P 31 -7.063 -8.117 0.557 1.00 0.00 N ATOM 535 CZ ARG P 31 -6.359 -9.024 1.210 1.00 0.00 C ATOM 536 NH1 ARG P 31 -5.465 -8.718 2.098 1.00 0.00 N ATOM 537 NH2 ARG P 31 -6.531 -10.293 0.997 1.00 0.00 N ATOM 0 H ARG P 31 -4.716 -6.907 -2.868 1.00 0.00 H new ATOM 0 HA ARG P 31 -4.326 -4.433 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG P 31 -4.420 -7.320 -0.627 1.00 0.00 H new ATOM 0 HB3 ARG P 31 -4.275 -5.969 0.480 1.00 0.00 H new ATOM 0 HG2 ARG P 31 -6.383 -4.988 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG P 31 -6.558 -6.502 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG P 31 -6.404 -6.392 1.562 1.00 0.00 H new ATOM 0 HD3 ARG P 31 -7.918 -6.201 0.701 1.00 0.00 H new ATOM 0 HE ARG P 31 -7.780 -8.470 -0.076 1.00 0.00 H new ATOM 0 HH11 ARG P 31 -5.280 -7.740 2.319 1.00 0.00 H new ATOM 0 HH12 ARG P 31 -4.947 -9.456 2.576 1.00 0.00 H new ATOM 0 HH21 ARG P 31 -7.221 -10.607 0.314 1.00 0.00 H new ATOM 0 HH22 ARG P 31 -5.976 -10.976 1.513 1.00 0.00 H new ATOM 551 N GLU P 32 -1.654 -6.384 -1.572 1.00 0.00 N ATOM 552 CA GLU P 32 -0.187 -6.297 -1.511 1.00 0.00 C ATOM 553 C GLU P 32 0.356 -5.266 -2.511 1.00 0.00 C ATOM 554 O GLU P 32 1.194 -4.444 -2.150 1.00 0.00 O ATOM 555 CB GLU P 32 0.478 -7.656 -1.793 1.00 0.00 C ATOM 556 CG GLU P 32 0.397 -8.628 -0.615 1.00 0.00 C ATOM 557 CD GLU P 32 1.306 -9.857 -0.839 1.00 0.00 C ATOM 558 OE1 GLU P 32 1.080 -10.645 -1.790 1.00 0.00 O ATOM 559 OE2 GLU P 32 2.283 -10.034 -0.069 1.00 0.00 O ATOM 0 H GLU P 32 -2.009 -7.298 -1.852 1.00 0.00 H new ATOM 0 HA GLU P 32 0.058 -5.983 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU P 32 0.004 -8.111 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU P 32 1.525 -7.494 -2.049 1.00 0.00 H new ATOM 0 HG2 GLU P 32 0.691 -8.117 0.302 1.00 0.00 H new ATOM 0 HG3 GLU P 32 -0.634 -8.955 -0.481 1.00 0.00 H new ATOM 566 N GLU P 33 -0.146 -5.263 -3.748 1.00 0.00 N ATOM 567 CA GLU P 33 0.342 -4.380 -4.821 1.00 0.00 C ATOM 568 C GLU P 33 0.265 -2.881 -4.474 1.00 0.00 C ATOM 569 O GLU P 33 1.150 -2.135 -4.894 1.00 0.00 O ATOM 570 CB GLU P 33 -0.400 -4.689 -6.133 1.00 0.00 C ATOM 571 CG GLU P 33 0.069 -3.834 -7.315 1.00 0.00 C ATOM 572 CD GLU P 33 -0.467 -4.386 -8.649 1.00 0.00 C ATOM 573 OE1 GLU P 33 -1.598 -4.023 -9.052 1.00 0.00 O ATOM 574 OE2 GLU P 33 0.247 -5.179 -9.313 1.00 0.00 O ATOM 0 H GLU P 33 -0.908 -5.876 -4.040 1.00 0.00 H new ATOM 0 HA GLU P 33 1.404 -4.592 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -0.263 -5.742 -6.379 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -1.468 -4.533 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -0.270 -2.807 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU P 33 1.158 -3.810 -7.340 1.00 0.00 H new ATOM 581 N ILE P 34 -0.720 -2.428 -3.686 1.00 0.00 N ATOM 582 CA ILE P 34 -0.782 -1.032 -3.199 1.00 0.00 C ATOM 583 C ILE P 34 0.042 -0.837 -1.914 1.00 0.00 C ATOM 584 O ILE P 34 0.625 0.227 -1.706 1.00 0.00 O ATOM 585 CB ILE P 34 -2.239 -0.501 -3.097 1.00 0.00 C ATOM 586 CG1 ILE P 34 -2.947 -0.763 -1.750 1.00 0.00 C ATOM 587 CG2 ILE P 34 -3.119 -1.056 -4.232 1.00 0.00 C ATOM 588 CD1 ILE P 34 -2.743 0.368 -0.730 1.00 0.00 C ATOM 0 H ILE P 34 -1.494 -3.010 -3.367 1.00 0.00 H new ATOM 0 HA ILE P 34 -0.307 -0.405 -3.953 1.00 0.00 H new ATOM 0 HB ILE P 34 -2.124 0.580 -3.183 1.00 0.00 H new ATOM 0 HG12 ILE P 34 -4.014 -0.896 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE P 34 -2.576 -1.697 -1.327 1.00 0.00 H new ATOM 0 HG21 ILE P 34 -4.132 -0.665 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE P 34 -2.707 -0.752 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE P 34 -3.143 -2.144 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE P 34 -3.265 0.123 0.195 1.00 0.00 H new ATOM 0 HD12 ILE P 34 -1.679 0.486 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE P 34 -3.140 1.299 -1.135 1.00 0.00 H new ATOM 600 N ALA P 35 0.135 -1.862 -1.061 1.00 0.00 N ATOM 601 CA ALA P 35 0.826 -1.804 0.231 1.00 0.00 C ATOM 602 C ALA P 35 2.359 -1.699 0.090 1.00 0.00 C ATOM 603 O ALA P 35 3.042 -1.094 0.922 1.00 0.00 O ATOM 604 CB ALA P 35 0.435 -3.056 1.022 1.00 0.00 C ATOM 0 H ALA P 35 -0.277 -2.775 -1.254 1.00 0.00 H new ATOM 0 HA ALA P 35 0.520 -0.898 0.755 1.00 0.00 H new ATOM 0 HB1 ALA P 35 0.933 -3.044 1.991 1.00 0.00 H new ATOM 0 HB2 ALA P 35 -0.645 -3.071 1.169 1.00 0.00 H new ATOM 0 HB3 ALA P 35 0.738 -3.945 0.469 1.00 0.00 H new ATOM 610 N VAL P 36 2.881 -2.273 -0.996 1.00 0.00 N ATOM 611 CA VAL P 36 4.303 -2.470 -1.318 1.00 0.00 C ATOM 612 C VAL P 36 5.109 -1.169 -1.405 1.00 0.00 C ATOM 613 O VAL P 36 6.290 -1.160 -1.052 1.00 0.00 O ATOM 614 CB VAL P 36 4.362 -3.302 -2.625 1.00 0.00 C ATOM 615 CG1 VAL P 36 5.544 -3.036 -3.560 1.00 0.00 C ATOM 616 CG2 VAL P 36 4.353 -4.798 -2.289 1.00 0.00 C ATOM 0 H VAL P 36 2.278 -2.641 -1.731 1.00 0.00 H new ATOM 0 HA VAL P 36 4.786 -3.005 -0.501 1.00 0.00 H new ATOM 0 HB VAL P 36 3.477 -2.980 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL P 36 5.468 -3.681 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL P 36 5.531 -1.993 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL P 36 6.477 -3.245 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL P 36 4.395 -5.378 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL P 36 5.218 -5.037 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL P 36 3.440 -5.044 -1.747 1.00 0.00 H new ATOM 626 N TRP P 37 4.482 -0.068 -1.824 1.00 0.00 N ATOM 627 CA TRP P 37 5.110 1.254 -1.976 1.00 0.00 C ATOM 628 C TRP P 37 4.523 2.323 -1.041 1.00 0.00 C ATOM 629 O TRP P 37 4.884 3.499 -1.131 1.00 0.00 O ATOM 630 CB TRP P 37 5.084 1.667 -3.454 1.00 0.00 C ATOM 631 CG TRP P 37 3.767 1.490 -4.136 1.00 0.00 C ATOM 632 CD1 TRP P 37 3.329 0.337 -4.682 1.00 0.00 C ATOM 633 CD2 TRP P 37 2.683 2.449 -4.306 1.00 0.00 C ATOM 634 NE1 TRP P 37 2.037 0.497 -5.124 1.00 0.00 N ATOM 635 CE2 TRP P 37 1.576 1.778 -4.910 1.00 0.00 C ATOM 636 CE3 TRP P 37 2.523 3.812 -3.991 1.00 0.00 C ATOM 637 CZ2 TRP P 37 0.354 2.422 -5.157 1.00 0.00 C ATOM 638 CZ3 TRP P 37 1.310 4.474 -4.255 1.00 0.00 C ATOM 639 CH2 TRP P 37 0.223 3.781 -4.822 1.00 0.00 C ATOM 0 H TRP P 37 3.493 -0.068 -2.075 1.00 0.00 H new ATOM 0 HA TRP P 37 6.150 1.171 -1.660 1.00 0.00 H new ATOM 0 HB2 TRP P 37 5.377 2.714 -3.528 1.00 0.00 H new ATOM 0 HB3 TRP P 37 5.835 1.087 -3.991 1.00 0.00 H new ATOM 0 HD1 TRP P 37 3.905 -0.573 -4.760 1.00 0.00 H new ATOM 0 HE1 TRP P 37 1.486 -0.243 -5.558 1.00 0.00 H new ATOM 0 HE3 TRP P 37 3.341 4.356 -3.542 1.00 0.00 H new ATOM 0 HZ2 TRP P 37 -0.472 1.883 -5.597 1.00 0.00 H new ATOM 0 HZ3 TRP P 37 1.211 5.524 -4.021 1.00 0.00 H new ATOM 0 HH2 TRP P 37 -0.711 4.293 -4.999 1.00 0.00 H new ATOM 650 N THR P 38 3.646 1.919 -0.116 1.00 0.00 N ATOM 651 CA THR P 38 2.984 2.809 0.860 1.00 0.00 C ATOM 652 C THR P 38 3.373 2.513 2.311 1.00 0.00 C ATOM 653 O THR P 38 2.832 3.126 3.228 1.00 0.00 O ATOM 654 CB THR P 38 1.456 2.802 0.678 1.00 0.00 C ATOM 655 OG1 THR P 38 0.953 1.495 0.793 1.00 0.00 O ATOM 656 CG2 THR P 38 1.060 3.317 -0.707 1.00 0.00 C ATOM 0 H THR P 38 3.366 0.943 -0.018 1.00 0.00 H new ATOM 0 HA THR P 38 3.349 3.814 0.648 1.00 0.00 H new ATOM 0 HB THR P 38 1.043 3.449 1.452 1.00 0.00 H new ATOM 0 HG1 THR P 38 0.857 1.102 -0.099 1.00 0.00 H new ATOM 0 HG21 THR P 38 -0.025 3.300 -0.805 1.00 0.00 H new ATOM 0 HG22 THR P 38 1.420 4.338 -0.832 1.00 0.00 H new ATOM 0 HG23 THR P 38 1.503 2.680 -1.472 1.00 0.00 H new ATOM 664 N ASN P 39 4.339 1.612 2.540 1.00 0.00 N ATOM 665 CA ASN P 39 4.782 1.161 3.871 1.00 0.00 C ATOM 666 C ASN P 39 3.641 0.531 4.709 1.00 0.00 C ATOM 667 O ASN P 39 3.522 0.758 5.917 1.00 0.00 O ATOM 668 CB ASN P 39 5.566 2.295 4.567 1.00 0.00 C ATOM 669 CG ASN P 39 6.597 1.794 5.569 1.00 0.00 C ATOM 670 OD1 ASN P 39 7.799 1.857 5.345 1.00 0.00 O ATOM 671 ND2 ASN P 39 6.175 1.277 6.700 1.00 0.00 N ATOM 0 H ASN P 39 4.851 1.162 1.781 1.00 0.00 H new ATOM 0 HA ASN P 39 5.477 0.329 3.755 1.00 0.00 H new ATOM 0 HB2 ASN P 39 6.069 2.896 3.810 1.00 0.00 H new ATOM 0 HB3 ASN P 39 4.862 2.951 5.079 1.00 0.00 H new ATOM 0 HD21 ASN P 39 6.847 0.931 7.385 1.00 0.00 H new ATOM 0 HD22 ASN P 39 5.175 1.221 6.894 1.00 0.00 H new ATOM 678 N LEU P 40 2.785 -0.250 4.048 1.00 0.00 N ATOM 679 CA LEU P 40 1.685 -1.025 4.635 1.00 0.00 C ATOM 680 C LEU P 40 1.895 -2.541 4.425 1.00 0.00 C ATOM 681 O LEU P 40 2.895 -2.983 3.855 1.00 0.00 O ATOM 682 CB LEU P 40 0.357 -0.536 4.009 1.00 0.00 C ATOM 683 CG LEU P 40 -0.037 0.921 4.307 1.00 0.00 C ATOM 684 CD1 LEU P 40 -1.332 1.257 3.568 1.00 0.00 C ATOM 685 CD2 LEU P 40 -0.276 1.145 5.800 1.00 0.00 C ATOM 0 H LEU P 40 2.841 -0.367 3.036 1.00 0.00 H new ATOM 0 HA LEU P 40 1.654 -0.867 5.713 1.00 0.00 H new ATOM 0 HB2 LEU P 40 0.422 -0.659 2.928 1.00 0.00 H new ATOM 0 HB3 LEU P 40 -0.446 -1.186 4.357 1.00 0.00 H new ATOM 0 HG LEU P 40 0.784 1.558 3.978 1.00 0.00 H new ATOM 0 HD11 LEU P 40 -1.613 2.289 3.778 1.00 0.00 H new ATOM 0 HD12 LEU P 40 -1.182 1.133 2.496 1.00 0.00 H new ATOM 0 HD13 LEU P 40 -2.126 0.589 3.903 1.00 0.00 H new ATOM 0 HD21 LEU P 40 -0.552 2.185 5.972 1.00 0.00 H new ATOM 0 HD22 LEU P 40 -1.081 0.494 6.141 1.00 0.00 H new ATOM 0 HD23 LEU P 40 0.635 0.915 6.353 1.00 0.00 H new ATOM 697 N THR P 41 0.923 -3.342 4.870 1.00 0.00 N ATOM 698 CA THR P 41 0.792 -4.780 4.569 1.00 0.00 C ATOM 699 C THR P 41 -0.638 -5.081 4.106 1.00 0.00 C ATOM 700 O THR P 41 -1.542 -4.272 4.318 1.00 0.00 O ATOM 701 CB THR P 41 1.229 -5.645 5.763 1.00 0.00 C ATOM 702 OG1 THR P 41 1.226 -7.006 5.391 1.00 0.00 O ATOM 703 CG2 THR P 41 0.333 -5.495 6.994 1.00 0.00 C ATOM 0 H THR P 41 0.175 -2.999 5.473 1.00 0.00 H new ATOM 0 HA THR P 41 1.466 -5.040 3.753 1.00 0.00 H new ATOM 0 HB THR P 41 2.226 -5.297 6.032 1.00 0.00 H new ATOM 0 HG1 THR P 41 1.507 -7.554 6.153 1.00 0.00 H new ATOM 0 HG21 THR P 41 0.704 -6.135 7.794 1.00 0.00 H new ATOM 0 HG22 THR P 41 0.342 -4.457 7.326 1.00 0.00 H new ATOM 0 HG23 THR P 41 -0.686 -5.786 6.740 1.00 0.00 H new ATOM 711 N GLU P 42 -0.885 -6.232 3.477 1.00 0.00 N ATOM 712 CA GLU P 42 -2.182 -6.548 2.854 1.00 0.00 C ATOM 713 C GLU P 42 -3.376 -6.538 3.827 1.00 0.00 C ATOM 714 O GLU P 42 -4.511 -6.285 3.411 1.00 0.00 O ATOM 715 CB GLU P 42 -2.092 -7.892 2.114 1.00 0.00 C ATOM 716 CG GLU P 42 -1.857 -9.122 3.010 1.00 0.00 C ATOM 717 CD GLU P 42 -2.312 -10.424 2.325 1.00 0.00 C ATOM 718 OE1 GLU P 42 -3.543 -10.671 2.295 1.00 0.00 O ATOM 719 OE2 GLU P 42 -1.455 -11.208 1.853 1.00 0.00 O ATOM 0 H GLU P 42 -0.193 -6.976 3.383 1.00 0.00 H new ATOM 0 HA GLU P 42 -2.384 -5.743 2.148 1.00 0.00 H new ATOM 0 HB2 GLU P 42 -3.015 -8.042 1.554 1.00 0.00 H new ATOM 0 HB3 GLU P 42 -1.283 -7.834 1.386 1.00 0.00 H new ATOM 0 HG2 GLU P 42 -0.798 -9.193 3.259 1.00 0.00 H new ATOM 0 HG3 GLU P 42 -2.398 -8.997 3.948 1.00 0.00 H new ATOM 726 N ALA P 43 -3.121 -6.781 5.115 1.00 0.00 N ATOM 727 CA ALA P 43 -4.116 -6.727 6.184 1.00 0.00 C ATOM 728 C ALA P 43 -4.547 -5.287 6.511 1.00 0.00 C ATOM 729 O ALA P 43 -5.735 -5.044 6.710 1.00 0.00 O ATOM 730 CB ALA P 43 -3.547 -7.449 7.412 1.00 0.00 C ATOM 0 H ALA P 43 -2.190 -7.028 5.450 1.00 0.00 H new ATOM 0 HA ALA P 43 -5.024 -7.231 5.853 1.00 0.00 H new ATOM 0 HB1 ALA P 43 -4.276 -7.419 8.222 1.00 0.00 H new ATOM 0 HB2 ALA P 43 -3.331 -8.486 7.156 1.00 0.00 H new ATOM 0 HB3 ALA P 43 -2.629 -6.955 7.732 1.00 0.00 H new ATOM 736 N ARG P 44 -3.625 -4.310 6.482 1.00 0.00 N ATOM 737 CA ARG P 44 -3.947 -2.873 6.620 1.00 0.00 C ATOM 738 C ARG P 44 -4.902 -2.420 5.524 1.00 0.00 C ATOM 739 O ARG P 44 -5.885 -1.744 5.806 1.00 0.00 O ATOM 740 CB ARG P 44 -2.676 -2.008 6.537 1.00 0.00 C ATOM 741 CG ARG P 44 -1.764 -2.074 7.765 1.00 0.00 C ATOM 742 CD ARG P 44 -2.468 -1.490 8.995 1.00 0.00 C ATOM 743 NE ARG P 44 -1.515 -0.805 9.888 1.00 0.00 N ATOM 744 CZ ARG P 44 -1.350 0.503 10.003 1.00 0.00 C ATOM 745 NH1 ARG P 44 -2.021 1.371 9.305 1.00 0.00 N ATOM 746 NH2 ARG P 44 -0.490 0.999 10.843 1.00 0.00 N ATOM 0 H ARG P 44 -2.629 -4.492 6.362 1.00 0.00 H new ATOM 0 HA ARG P 44 -4.415 -2.747 7.596 1.00 0.00 H new ATOM 0 HB2 ARG P 44 -2.103 -2.314 5.662 1.00 0.00 H new ATOM 0 HB3 ARG P 44 -2.971 -0.971 6.378 1.00 0.00 H new ATOM 0 HG2 ARG P 44 -1.481 -3.109 7.959 1.00 0.00 H new ATOM 0 HG3 ARG P 44 -0.844 -1.523 7.571 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -3.238 -0.788 8.676 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -2.971 -2.288 9.541 1.00 0.00 H new ATOM 0 HE ARG P 44 -0.926 -1.397 10.474 1.00 0.00 H new ATOM 0 HH11 ARG P 44 -2.715 1.054 8.628 1.00 0.00 H new ATOM 0 HH12 ARG P 44 -1.853 2.369 9.434 1.00 0.00 H new ATOM 0 HH21 ARG P 44 0.070 0.377 11.426 1.00 0.00 H new ATOM 0 HH22 ARG P 44 -0.376 2.010 10.919 1.00 0.00 H new ATOM 760 N VAL P 45 -4.634 -2.836 4.288 1.00 0.00 N ATOM 761 CA VAL P 45 -5.478 -2.515 3.127 1.00 0.00 C ATOM 762 C VAL P 45 -6.859 -3.159 3.278 1.00 0.00 C ATOM 763 O VAL P 45 -7.870 -2.484 3.104 1.00 0.00 O ATOM 764 CB VAL P 45 -4.801 -2.933 1.808 1.00 0.00 C ATOM 765 CG1 VAL P 45 -5.553 -2.370 0.598 1.00 0.00 C ATOM 766 CG2 VAL P 45 -3.356 -2.428 1.746 1.00 0.00 C ATOM 0 H VAL P 45 -3.822 -3.409 4.057 1.00 0.00 H new ATOM 0 HA VAL P 45 -5.610 -1.434 3.089 1.00 0.00 H new ATOM 0 HB VAL P 45 -4.815 -4.023 1.779 1.00 0.00 H new ATOM 0 HG11 VAL P 45 -5.052 -2.681 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL P 45 -6.576 -2.746 0.598 1.00 0.00 H new ATOM 0 HG13 VAL P 45 -5.567 -1.281 0.652 1.00 0.00 H new ATOM 0 HG21 VAL P 45 -2.902 -2.738 0.804 1.00 0.00 H new ATOM 0 HG22 VAL P 45 -3.348 -1.340 1.813 1.00 0.00 H new ATOM 0 HG23 VAL P 45 -2.788 -2.847 2.577 1.00 0.00 H new ATOM 776 N ARG P 46 -6.924 -4.430 3.703 1.00 0.00 N ATOM 777 CA ARG P 46 -8.195 -5.132 3.966 1.00 0.00 C ATOM 778 C ARG P 46 -9.024 -4.440 5.056 1.00 0.00 C ATOM 779 O ARG P 46 -10.214 -4.202 4.866 1.00 0.00 O ATOM 780 CB ARG P 46 -7.896 -6.600 4.317 1.00 0.00 C ATOM 781 CG ARG P 46 -9.102 -7.505 4.042 1.00 0.00 C ATOM 782 CD ARG P 46 -8.739 -8.972 4.289 1.00 0.00 C ATOM 783 NE ARG P 46 -9.769 -9.870 3.733 1.00 0.00 N ATOM 784 CZ ARG P 46 -10.770 -10.452 4.374 1.00 0.00 C ATOM 785 NH1 ARG P 46 -10.975 -10.282 5.650 1.00 0.00 N ATOM 786 NH2 ARG P 46 -11.600 -11.224 3.735 1.00 0.00 N ATOM 0 H ARG P 46 -6.098 -5.003 3.875 1.00 0.00 H new ATOM 0 HA ARG P 46 -8.806 -5.100 3.064 1.00 0.00 H new ATOM 0 HB2 ARG P 46 -7.041 -6.946 3.736 1.00 0.00 H new ATOM 0 HB3 ARG P 46 -7.618 -6.674 5.368 1.00 0.00 H new ATOM 0 HG2 ARG P 46 -9.934 -7.217 4.684 1.00 0.00 H new ATOM 0 HG3 ARG P 46 -9.434 -7.375 3.012 1.00 0.00 H new ATOM 0 HD2 ARG P 46 -7.774 -9.194 3.834 1.00 0.00 H new ATOM 0 HD3 ARG P 46 -8.635 -9.150 5.359 1.00 0.00 H new ATOM 0 HE ARG P 46 -9.702 -10.066 2.734 1.00 0.00 H new ATOM 0 HH11 ARG P 46 -10.352 -9.682 6.191 1.00 0.00 H new ATOM 0 HH12 ARG P 46 -11.758 -10.749 6.107 1.00 0.00 H new ATOM 0 HH21 ARG P 46 -11.481 -11.383 2.735 1.00 0.00 H new ATOM 0 HH22 ARG P 46 -12.370 -11.670 4.235 1.00 0.00 H new ATOM 800 N VAL P 47 -8.381 -4.050 6.159 1.00 0.00 N ATOM 801 CA VAL P 47 -8.991 -3.293 7.268 1.00 0.00 C ATOM 802 C VAL P 47 -9.468 -1.915 6.810 1.00 0.00 C ATOM 803 O VAL P 47 -10.580 -1.516 7.155 1.00 0.00 O ATOM 804 CB VAL P 47 -7.999 -3.186 8.449 1.00 0.00 C ATOM 805 CG1 VAL P 47 -8.423 -2.183 9.529 1.00 0.00 C ATOM 806 CG2 VAL P 47 -7.858 -4.549 9.136 1.00 0.00 C ATOM 0 H VAL P 47 -7.394 -4.255 6.315 1.00 0.00 H new ATOM 0 HA VAL P 47 -9.873 -3.836 7.609 1.00 0.00 H new ATOM 0 HB VAL P 47 -7.063 -2.841 8.009 1.00 0.00 H new ATOM 0 HG11 VAL P 47 -7.676 -2.166 10.323 1.00 0.00 H new ATOM 0 HG12 VAL P 47 -8.508 -1.189 9.089 1.00 0.00 H new ATOM 0 HG13 VAL P 47 -9.386 -2.480 9.944 1.00 0.00 H new ATOM 0 HG21 VAL P 47 -7.158 -4.467 9.967 1.00 0.00 H new ATOM 0 HG22 VAL P 47 -8.830 -4.870 9.511 1.00 0.00 H new ATOM 0 HG23 VAL P 47 -7.486 -5.281 8.419 1.00 0.00 H new ATOM 816 N TRP P 48 -8.689 -1.194 6.000 1.00 0.00 N ATOM 817 CA TRP P 48 -9.069 0.132 5.508 1.00 0.00 C ATOM 818 C TRP P 48 -10.270 0.073 4.558 1.00 0.00 C ATOM 819 O TRP P 48 -11.234 0.811 4.747 1.00 0.00 O ATOM 820 CB TRP P 48 -7.881 0.803 4.824 1.00 0.00 C ATOM 821 CG TRP P 48 -8.126 2.243 4.500 1.00 0.00 C ATOM 822 CD1 TRP P 48 -7.760 3.289 5.274 1.00 0.00 C ATOM 823 CD2 TRP P 48 -8.830 2.823 3.355 1.00 0.00 C ATOM 824 NE1 TRP P 48 -8.157 4.469 4.676 1.00 0.00 N ATOM 825 CE2 TRP P 48 -8.817 4.243 3.490 1.00 0.00 C ATOM 826 CE3 TRP P 48 -9.475 2.299 2.213 1.00 0.00 C ATOM 827 CZ2 TRP P 48 -9.396 5.094 2.539 1.00 0.00 C ATOM 828 CZ3 TRP P 48 -10.097 3.138 1.271 1.00 0.00 C ATOM 829 CH2 TRP P 48 -10.063 4.530 1.437 1.00 0.00 C ATOM 0 H TRP P 48 -7.779 -1.512 5.667 1.00 0.00 H new ATOM 0 HA TRP P 48 -9.369 0.726 6.371 1.00 0.00 H new ATOM 0 HB2 TRP P 48 -7.007 0.726 5.470 1.00 0.00 H new ATOM 0 HB3 TRP P 48 -7.647 0.265 3.905 1.00 0.00 H new ATOM 0 HD1 TRP P 48 -7.237 3.214 6.216 1.00 0.00 H new ATOM 0 HE1 TRP P 48 -7.982 5.395 5.066 1.00 0.00 H new ATOM 0 HE3 TRP P 48 -9.491 1.230 2.060 1.00 0.00 H new ATOM 0 HZ2 TRP P 48 -9.331 6.166 2.651 1.00 0.00 H new ATOM 0 HZ3 TRP P 48 -10.602 2.709 0.418 1.00 0.00 H new ATOM 0 HH2 TRP P 48 -10.550 5.170 0.717 1.00 0.00 H new ATOM 840 N PHE P 49 -10.268 -0.844 3.585 1.00 0.00 N ATOM 841 CA PHE P 49 -11.392 -1.027 2.658 1.00 0.00 C ATOM 842 C PHE P 49 -12.658 -1.513 3.397 1.00 0.00 C ATOM 843 O PHE P 49 -13.767 -1.117 3.030 1.00 0.00 O ATOM 844 CB PHE P 49 -10.973 -1.964 1.506 1.00 0.00 C ATOM 845 CG PHE P 49 -10.225 -1.297 0.351 1.00 0.00 C ATOM 846 CD1 PHE P 49 -8.923 -0.776 0.515 1.00 0.00 C ATOM 847 CD2 PHE P 49 -10.828 -1.213 -0.921 1.00 0.00 C ATOM 848 CE1 PHE P 49 -8.245 -0.173 -0.561 1.00 0.00 C ATOM 849 CE2 PHE P 49 -10.142 -0.628 -1.998 1.00 0.00 C ATOM 850 CZ PHE P 49 -8.856 -0.100 -1.821 1.00 0.00 C ATOM 0 H PHE P 49 -9.489 -1.480 3.417 1.00 0.00 H new ATOM 0 HA PHE P 49 -11.654 -0.064 2.219 1.00 0.00 H new ATOM 0 HB2 PHE P 49 -10.343 -2.754 1.915 1.00 0.00 H new ATOM 0 HB3 PHE P 49 -11.867 -2.443 1.108 1.00 0.00 H new ATOM 0 HD1 PHE P 49 -8.441 -0.841 1.479 1.00 0.00 H new ATOM 0 HD2 PHE P 49 -11.825 -1.601 -1.068 1.00 0.00 H new ATOM 0 HE1 PHE P 49 -7.255 0.233 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE P 49 -10.609 -0.585 -2.971 1.00 0.00 H new ATOM 0 HZ PHE P 49 -8.339 0.360 -2.650 1.00 0.00 H new ATOM 860 N LYS P 50 -12.512 -2.271 4.496 1.00 0.00 N ATOM 861 CA LYS P 50 -13.626 -2.643 5.395 1.00 0.00 C ATOM 862 C LYS P 50 -14.154 -1.447 6.203 1.00 0.00 C ATOM 863 O LYS P 50 -15.365 -1.275 6.329 1.00 0.00 O ATOM 864 CB LYS P 50 -13.186 -3.812 6.294 1.00 0.00 C ATOM 865 CG LYS P 50 -14.358 -4.403 7.098 1.00 0.00 C ATOM 866 CD LYS P 50 -13.978 -5.678 7.867 1.00 0.00 C ATOM 867 CE LYS P 50 -12.957 -5.447 8.990 1.00 0.00 C ATOM 868 NZ LYS P 50 -13.549 -4.746 10.162 1.00 0.00 N ATOM 0 H LYS P 50 -11.611 -2.648 4.791 1.00 0.00 H new ATOM 0 HA LYS P 50 -14.469 -2.970 4.786 1.00 0.00 H new ATOM 0 HB2 LYS P 50 -12.740 -4.593 5.678 1.00 0.00 H new ATOM 0 HB3 LYS P 50 -12.413 -3.468 6.982 1.00 0.00 H new ATOM 0 HG2 LYS P 50 -14.721 -3.655 7.803 1.00 0.00 H new ATOM 0 HG3 LYS P 50 -15.181 -4.627 6.419 1.00 0.00 H new ATOM 0 HD2 LYS P 50 -14.880 -6.115 8.294 1.00 0.00 H new ATOM 0 HD3 LYS P 50 -13.572 -6.407 7.165 1.00 0.00 H new ATOM 0 HE2 LYS P 50 -12.551 -6.406 9.311 1.00 0.00 H new ATOM 0 HE3 LYS P 50 -12.123 -4.862 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS P 50 -12.820 -4.614 10.892 1.00 0.00 H new ATOM 0 HZ2 LYS P 50 -13.913 -3.818 9.864 1.00 0.00 H new ATOM 0 HZ3 LYS P 50 -14.328 -5.315 10.550 1.00 0.00 H new ATOM 882 N ASN P 51 -13.271 -0.567 6.679 1.00 0.00 N ATOM 883 CA ASN P 51 -13.664 0.709 7.293 1.00 0.00 C ATOM 884 C ASN P 51 -14.328 1.655 6.274 1.00 0.00 C ATOM 885 O ASN P 51 -15.263 2.370 6.631 1.00 0.00 O ATOM 886 CB ASN P 51 -12.452 1.361 7.986 1.00 0.00 C ATOM 887 CG ASN P 51 -12.228 0.825 9.387 1.00 0.00 C ATOM 888 OD1 ASN P 51 -12.681 1.387 10.373 1.00 0.00 O ATOM 889 ND2 ASN P 51 -11.540 -0.284 9.524 1.00 0.00 N ATOM 0 H ASN P 51 -12.262 -0.716 6.651 1.00 0.00 H new ATOM 0 HA ASN P 51 -14.417 0.505 8.054 1.00 0.00 H new ATOM 0 HB2 ASN P 51 -11.558 1.188 7.387 1.00 0.00 H new ATOM 0 HB3 ASN P 51 -12.601 2.440 8.032 1.00 0.00 H new ATOM 0 HD21 ASN P 51 -11.384 -0.676 10.453 1.00 0.00 H new ATOM 0 HD22 ASN P 51 -11.161 -0.754 8.702 1.00 0.00 H new ATOM 896 N ARG P 52 -13.934 1.617 4.993 1.00 0.00 N ATOM 897 CA ARG P 52 -14.599 2.373 3.919 1.00 0.00 C ATOM 898 C ARG P 52 -16.030 1.879 3.679 1.00 0.00 C ATOM 899 O ARG P 52 -16.931 2.705 3.544 1.00 0.00 O ATOM 900 CB ARG P 52 -13.735 2.348 2.643 1.00 0.00 C ATOM 901 CG ARG P 52 -14.007 3.515 1.677 1.00 0.00 C ATOM 902 CD ARG P 52 -13.582 4.877 2.249 1.00 0.00 C ATOM 903 NE ARG P 52 -13.725 5.957 1.250 1.00 0.00 N ATOM 904 CZ ARG P 52 -12.993 7.055 1.153 1.00 0.00 C ATOM 905 NH1 ARG P 52 -12.023 7.346 1.964 1.00 0.00 N ATOM 906 NH2 ARG P 52 -13.194 7.928 0.214 1.00 0.00 N ATOM 0 H ARG P 52 -13.143 1.060 4.670 1.00 0.00 H new ATOM 0 HA ARG P 52 -14.695 3.413 4.230 1.00 0.00 H new ATOM 0 HB2 ARG P 52 -12.683 2.365 2.929 1.00 0.00 H new ATOM 0 HB3 ARG P 52 -13.908 1.408 2.118 1.00 0.00 H new ATOM 0 HG2 ARG P 52 -13.475 3.337 0.742 1.00 0.00 H new ATOM 0 HG3 ARG P 52 -15.070 3.543 1.439 1.00 0.00 H new ATOM 0 HD2 ARG P 52 -14.188 5.109 3.125 1.00 0.00 H new ATOM 0 HD3 ARG P 52 -12.546 4.824 2.583 1.00 0.00 H new ATOM 0 HE ARG P 52 -14.468 5.844 0.561 1.00 0.00 H new ATOM 0 HH11 ARG P 52 -11.789 6.712 2.728 1.00 0.00 H new ATOM 0 HH12 ARG P 52 -11.494 8.209 1.838 1.00 0.00 H new ATOM 0 HH21 ARG P 52 -13.932 7.777 -0.474 1.00 0.00 H new ATOM 0 HH22 ARG P 52 -12.614 8.766 0.164 1.00 0.00 H new ATOM 920 N ARG P 53 -16.277 0.560 3.740 1.00 0.00 N ATOM 921 CA ARG P 53 -17.634 -0.021 3.765 1.00 0.00 C ATOM 922 C ARG P 53 -18.443 0.459 4.970 1.00 0.00 C ATOM 923 O ARG P 53 -19.603 0.827 4.811 1.00 0.00 O ATOM 924 CB ARG P 53 -17.564 -1.562 3.758 1.00 0.00 C ATOM 925 CG ARG P 53 -17.723 -2.163 2.361 1.00 0.00 C ATOM 926 CD ARG P 53 -16.571 -1.843 1.409 1.00 0.00 C ATOM 927 NE ARG P 53 -16.825 -2.435 0.084 1.00 0.00 N ATOM 928 CZ ARG P 53 -16.000 -2.443 -0.942 1.00 0.00 C ATOM 929 NH1 ARG P 53 -14.819 -1.901 -0.898 1.00 0.00 N ATOM 930 NH2 ARG P 53 -16.339 -3.004 -2.063 1.00 0.00 N ATOM 0 H ARG P 53 -15.536 -0.140 3.774 1.00 0.00 H new ATOM 0 HA ARG P 53 -18.145 0.321 2.865 1.00 0.00 H new ATOM 0 HB2 ARG P 53 -16.609 -1.878 4.177 1.00 0.00 H new ATOM 0 HB3 ARG P 53 -18.344 -1.958 4.408 1.00 0.00 H new ATOM 0 HG2 ARG P 53 -17.816 -3.245 2.451 1.00 0.00 H new ATOM 0 HG3 ARG P 53 -18.653 -1.799 1.924 1.00 0.00 H new ATOM 0 HD2 ARG P 53 -16.456 -0.763 1.317 1.00 0.00 H new ATOM 0 HD3 ARG P 53 -15.636 -2.230 1.815 1.00 0.00 H new ATOM 0 HE ARG P 53 -17.731 -2.884 -0.052 1.00 0.00 H new ATOM 0 HH11 ARG P 53 -14.498 -1.446 -0.043 1.00 0.00 H new ATOM 0 HH12 ARG P 53 -14.213 -1.931 -1.718 1.00 0.00 H new ATOM 0 HH21 ARG P 53 -17.254 -3.445 -2.156 1.00 0.00 H new ATOM 0 HH22 ARG P 53 -15.690 -3.003 -2.850 1.00 0.00 H new ATOM 944 N ALA P 54 -17.839 0.522 6.156 1.00 0.00 N ATOM 945 CA ALA P 54 -18.514 1.030 7.354 1.00 0.00 C ATOM 946 C ALA P 54 -18.898 2.517 7.207 1.00 0.00 C ATOM 947 O ALA P 54 -20.035 2.894 7.495 1.00 0.00 O ATOM 948 CB ALA P 54 -17.627 0.766 8.576 1.00 0.00 C ATOM 0 H ALA P 54 -16.876 0.226 6.315 1.00 0.00 H new ATOM 0 HA ALA P 54 -19.456 0.499 7.492 1.00 0.00 H new ATOM 0 HB1 ALA P 54 -18.121 1.141 9.472 1.00 0.00 H new ATOM 0 HB2 ALA P 54 -17.456 -0.306 8.677 1.00 0.00 H new ATOM 0 HB3 ALA P 54 -16.672 1.275 8.449 1.00 0.00 H new ATOM 954 N LYS P 55 -17.996 3.353 6.672 1.00 0.00 N ATOM 955 CA LYS P 55 -18.239 4.785 6.419 1.00 0.00 C ATOM 956 C LYS P 55 -19.286 5.013 5.325 1.00 0.00 C ATOM 957 O LYS P 55 -20.093 5.934 5.443 1.00 0.00 O ATOM 958 CB LYS P 55 -16.911 5.487 6.086 1.00 0.00 C ATOM 959 CG LYS P 55 -16.022 5.626 7.334 1.00 0.00 C ATOM 960 CD LYS P 55 -14.663 6.248 6.990 1.00 0.00 C ATOM 961 CE LYS P 55 -13.824 6.390 8.267 1.00 0.00 C ATOM 962 NZ LYS P 55 -12.509 7.029 7.995 1.00 0.00 N ATOM 0 H LYS P 55 -17.061 3.050 6.398 1.00 0.00 H new ATOM 0 HA LYS P 55 -18.651 5.223 7.328 1.00 0.00 H new ATOM 0 HB2 LYS P 55 -16.380 4.921 5.320 1.00 0.00 H new ATOM 0 HB3 LYS P 55 -17.114 6.474 5.670 1.00 0.00 H new ATOM 0 HG2 LYS P 55 -16.529 6.243 8.076 1.00 0.00 H new ATOM 0 HG3 LYS P 55 -15.871 4.645 7.785 1.00 0.00 H new ATOM 0 HD2 LYS P 55 -14.139 5.624 6.266 1.00 0.00 H new ATOM 0 HD3 LYS P 55 -14.805 7.224 6.526 1.00 0.00 H new ATOM 0 HE2 LYS P 55 -14.372 6.984 8.998 1.00 0.00 H new ATOM 0 HE3 LYS P 55 -13.666 5.406 8.709 1.00 0.00 H new ATOM 0 HZ1 LYS P 55 -11.971 7.108 8.882 1.00 0.00 H new ATOM 0 HZ2 LYS P 55 -11.975 6.449 7.316 1.00 0.00 H new ATOM 0 HZ3 LYS P 55 -12.660 7.978 7.596 1.00 0.00 H new ATOM 976 N TRP P 56 -19.349 4.141 4.314 1.00 0.00 N ATOM 977 CA TRP P 56 -20.441 4.118 3.336 1.00 0.00 C ATOM 978 C TRP P 56 -21.787 3.793 4.005 1.00 0.00 C ATOM 979 O TRP P 56 -22.757 4.529 3.831 1.00 0.00 O ATOM 980 CB TRP P 56 -20.103 3.118 2.218 1.00 0.00 C ATOM 981 CG TRP P 56 -21.289 2.560 1.491 1.00 0.00 C ATOM 982 CD1 TRP P 56 -22.210 3.285 0.818 1.00 0.00 C ATOM 983 CD2 TRP P 56 -21.759 1.178 1.439 1.00 0.00 C ATOM 984 NE1 TRP P 56 -23.210 2.452 0.357 1.00 0.00 N ATOM 985 CE2 TRP P 56 -22.993 1.143 0.723 1.00 0.00 C ATOM 986 CE3 TRP P 56 -21.289 -0.045 1.961 1.00 0.00 C ATOM 987 CZ2 TRP P 56 -23.720 -0.043 0.534 1.00 0.00 C ATOM 988 CZ3 TRP P 56 -22.010 -1.241 1.782 1.00 0.00 C ATOM 989 CH2 TRP P 56 -23.222 -1.243 1.069 1.00 0.00 C ATOM 0 H TRP P 56 -18.639 3.427 4.150 1.00 0.00 H new ATOM 0 HA TRP P 56 -20.546 5.110 2.896 1.00 0.00 H new ATOM 0 HB2 TRP P 56 -19.451 3.609 1.496 1.00 0.00 H new ATOM 0 HB3 TRP P 56 -19.537 2.292 2.648 1.00 0.00 H new ATOM 0 HD1 TRP P 56 -22.170 4.353 0.664 1.00 0.00 H new ATOM 0 HE1 TRP P 56 -24.012 2.768 -0.188 1.00 0.00 H new ATOM 0 HE3 TRP P 56 -20.358 -0.064 2.508 1.00 0.00 H new ATOM 0 HZ2 TRP P 56 -24.650 -0.033 -0.015 1.00 0.00 H new ATOM 0 HZ3 TRP P 56 -21.630 -2.163 2.195 1.00 0.00 H new ATOM 0 HH2 TRP P 56 -23.769 -2.164 0.933 1.00 0.00 H new ATOM 1000 N ARG P 57 -21.844 2.744 4.835 1.00 0.00 N ATOM 1001 CA ARG P 57 -23.053 2.314 5.573 1.00 0.00 C ATOM 1002 C ARG P 57 -23.584 3.352 6.575 1.00 0.00 C ATOM 1003 O ARG P 57 -24.772 3.325 6.890 1.00 0.00 O ATOM 1004 CB ARG P 57 -22.773 0.977 6.277 1.00 0.00 C ATOM 1005 CG ARG P 57 -22.734 -0.191 5.281 1.00 0.00 C ATOM 1006 CD ARG P 57 -22.195 -1.475 5.919 1.00 0.00 C ATOM 1007 NE ARG P 57 -23.108 -2.016 6.949 1.00 0.00 N ATOM 1008 CZ ARG P 57 -22.892 -3.067 7.720 1.00 0.00 C ATOM 1009 NH1 ARG P 57 -21.797 -3.769 7.647 1.00 0.00 N ATOM 1010 NH2 ARG P 57 -23.785 -3.438 8.592 1.00 0.00 N ATOM 0 H ARG P 57 -21.035 2.152 5.021 1.00 0.00 H new ATOM 0 HA ARG P 57 -23.845 2.198 4.833 1.00 0.00 H new ATOM 0 HB2 ARG P 57 -21.822 1.036 6.806 1.00 0.00 H new ATOM 0 HB3 ARG P 57 -23.543 0.791 7.026 1.00 0.00 H new ATOM 0 HG2 ARG P 57 -23.737 -0.372 4.896 1.00 0.00 H new ATOM 0 HG3 ARG P 57 -22.110 0.080 4.430 1.00 0.00 H new ATOM 0 HD2 ARG P 57 -22.040 -2.226 5.144 1.00 0.00 H new ATOM 0 HD3 ARG P 57 -21.222 -1.274 6.368 1.00 0.00 H new ATOM 0 HE ARG P 57 -23.995 -1.528 7.077 1.00 0.00 H new ATOM 0 HH11 ARG P 57 -21.071 -3.513 6.978 1.00 0.00 H new ATOM 0 HH12 ARG P 57 -21.666 -4.574 8.259 1.00 0.00 H new ATOM 0 HH21 ARG P 57 -24.657 -2.916 8.683 1.00 0.00 H new ATOM 0 HH22 ARG P 57 -23.613 -4.250 9.184 1.00 0.00 H new ATOM 1024 N LYS P 58 -22.750 4.297 7.030 1.00 0.00 N ATOM 1025 CA LYS P 58 -23.182 5.480 7.812 1.00 0.00 C ATOM 1026 C LYS P 58 -23.971 6.511 6.983 1.00 0.00 C ATOM 1027 O LYS P 58 -24.666 7.347 7.568 1.00 0.00 O ATOM 1028 CB LYS P 58 -21.972 6.159 8.497 1.00 0.00 C ATOM 1029 CG LYS P 58 -21.752 5.725 9.956 1.00 0.00 C ATOM 1030 CD LYS P 58 -21.171 4.311 10.092 1.00 0.00 C ATOM 1031 CE LYS P 58 -20.881 3.924 11.548 1.00 0.00 C ATOM 1032 NZ LYS P 58 -22.119 3.743 12.353 1.00 0.00 N ATOM 0 H LYS P 58 -21.743 4.268 6.867 1.00 0.00 H new ATOM 0 HA LYS P 58 -23.866 5.102 8.572 1.00 0.00 H new ATOM 0 HB2 LYS P 58 -21.072 5.937 7.924 1.00 0.00 H new ATOM 0 HB3 LYS P 58 -22.111 7.240 8.468 1.00 0.00 H new ATOM 0 HG2 LYS P 58 -21.080 6.434 10.440 1.00 0.00 H new ATOM 0 HG3 LYS P 58 -22.702 5.772 10.488 1.00 0.00 H new ATOM 0 HD2 LYS P 58 -21.870 3.593 9.663 1.00 0.00 H new ATOM 0 HD3 LYS P 58 -20.250 4.245 9.513 1.00 0.00 H new ATOM 0 HE2 LYS P 58 -20.303 3.000 11.566 1.00 0.00 H new ATOM 0 HE3 LYS P 58 -20.263 4.695 12.008 1.00 0.00 H new ATOM 0 HZ1 LYS P 58 -21.865 3.483 13.327 1.00 0.00 H new ATOM 0 HZ2 LYS P 58 -22.660 4.631 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS P 58 -22.699 2.989 11.933 1.00 0.00 H new ATOM 1046 N ARG P 59 -23.866 6.489 5.646 1.00 0.00 N ATOM 1047 CA ARG P 59 -24.517 7.446 4.720 1.00 0.00 C ATOM 1048 C ARG P 59 -25.535 6.812 3.759 1.00 0.00 C ATOM 1049 O ARG P 59 -26.462 7.497 3.329 1.00 0.00 O ATOM 1050 CB ARG P 59 -23.448 8.233 3.939 1.00 0.00 C ATOM 1051 CG ARG P 59 -22.352 8.927 4.772 1.00 0.00 C ATOM 1052 CD ARG P 59 -22.825 9.786 5.956 1.00 0.00 C ATOM 1053 NE ARG P 59 -23.864 10.768 5.584 1.00 0.00 N ATOM 1054 CZ ARG P 59 -25.061 10.919 6.129 1.00 0.00 C ATOM 1055 NH1 ARG P 59 -25.536 10.118 7.043 1.00 0.00 N ATOM 1056 NH2 ARG P 59 -25.827 11.902 5.748 1.00 0.00 N ATOM 0 H ARG P 59 -23.311 5.786 5.158 1.00 0.00 H new ATOM 0 HA ARG P 59 -25.099 8.122 5.347 1.00 0.00 H new ATOM 0 HB2 ARG P 59 -22.964 7.549 3.242 1.00 0.00 H new ATOM 0 HB3 ARG P 59 -23.953 8.992 3.342 1.00 0.00 H new ATOM 0 HG2 ARG P 59 -21.679 8.160 5.155 1.00 0.00 H new ATOM 0 HG3 ARG P 59 -21.767 9.560 4.105 1.00 0.00 H new ATOM 0 HD2 ARG P 59 -23.214 9.133 6.737 1.00 0.00 H new ATOM 0 HD3 ARG P 59 -21.970 10.314 6.378 1.00 0.00 H new ATOM 0 HE ARG P 59 -23.633 11.402 4.820 1.00 0.00 H new ATOM 0 HH11 ARG P 59 -24.978 9.330 7.371 1.00 0.00 H new ATOM 0 HH12 ARG P 59 -26.466 10.280 7.430 1.00 0.00 H new ATOM 0 HH21 ARG P 59 -25.504 12.552 5.032 1.00 0.00 H new ATOM 0 HH22 ARG P 59 -26.750 12.021 6.166 1.00 0.00 H new ATOM 1070 N GLU P 60 -25.391 5.520 3.454 1.00 0.00 N ATOM 1071 CA GLU P 60 -26.293 4.714 2.605 1.00 0.00 C ATOM 1072 C GLU P 60 -26.555 5.326 1.209 1.00 0.00 C ATOM 1073 O GLU P 60 -27.689 5.402 0.733 1.00 0.00 O ATOM 1074 CB GLU P 60 -27.582 4.331 3.361 1.00 0.00 C ATOM 1075 CG GLU P 60 -27.298 3.552 4.651 1.00 0.00 C ATOM 1076 CD GLU P 60 -28.606 3.051 5.293 1.00 0.00 C ATOM 1077 OE1 GLU P 60 -29.254 3.819 6.047 1.00 0.00 O ATOM 1078 OE2 GLU P 60 -29.001 1.885 5.049 1.00 0.00 O ATOM 0 H GLU P 60 -24.605 4.974 3.807 1.00 0.00 H new ATOM 0 HA GLU P 60 -25.764 3.786 2.388 1.00 0.00 H new ATOM 0 HB2 GLU P 60 -28.140 5.236 3.602 1.00 0.00 H new ATOM 0 HB3 GLU P 60 -28.216 3.730 2.710 1.00 0.00 H new ATOM 0 HG2 GLU P 60 -26.648 2.705 4.433 1.00 0.00 H new ATOM 0 HG3 GLU P 60 -26.764 4.190 5.355 1.00 0.00 H new ATOM 1085 N GLU P 61 -25.488 5.774 0.539 1.00 0.00 N ATOM 1086 CA GLU P 61 -25.558 6.492 -0.752 1.00 0.00 C ATOM 1087 C GLU P 61 -25.771 5.583 -1.987 1.00 0.00 C ATOM 1088 O GLU P 61 -25.853 6.076 -3.115 1.00 0.00 O ATOM 1089 CB GLU P 61 -24.305 7.372 -0.927 1.00 0.00 C ATOM 1090 CG GLU P 61 -24.188 8.454 0.154 1.00 0.00 C ATOM 1091 CD GLU P 61 -23.010 9.402 -0.138 1.00 0.00 C ATOM 1092 OE1 GLU P 61 -21.856 9.078 0.236 1.00 0.00 O ATOM 1093 OE2 GLU P 61 -23.227 10.482 -0.741 1.00 0.00 O ATOM 0 H GLU P 61 -24.534 5.649 0.878 1.00 0.00 H new ATOM 0 HA GLU P 61 -26.453 7.113 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU P 61 -23.416 6.741 -0.902 1.00 0.00 H new ATOM 0 HB3 GLU P 61 -24.332 7.846 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU P 61 -25.115 9.025 0.204 1.00 0.00 H new ATOM 0 HG3 GLU P 61 -24.050 7.986 1.129 1.00 0.00 H new ATOM 1100 N PHE P 62 -25.866 4.262 -1.794 1.00 0.00 N ATOM 1101 CA PHE P 62 -26.070 3.265 -2.855 1.00 0.00 C ATOM 1102 C PHE P 62 -27.551 2.867 -3.006 1.00 0.00 C ATOM 1103 O PHE P 62 -28.268 2.719 -2.014 1.00 0.00 O ATOM 1104 CB PHE P 62 -25.178 2.045 -2.584 1.00 0.00 C ATOM 1105 CG PHE P 62 -25.336 0.923 -3.595 1.00 0.00 C ATOM 1106 CD1 PHE P 62 -24.852 1.081 -4.908 1.00 0.00 C ATOM 1107 CD2 PHE P 62 -25.992 -0.269 -3.232 1.00 0.00 C ATOM 1108 CE1 PHE P 62 -25.028 0.055 -5.853 1.00 0.00 C ATOM 1109 CE2 PHE P 62 -26.159 -1.299 -4.175 1.00 0.00 C ATOM 1110 CZ PHE P 62 -25.682 -1.136 -5.487 1.00 0.00 C ATOM 0 H PHE P 62 -25.801 3.843 -0.866 1.00 0.00 H new ATOM 0 HA PHE P 62 -25.783 3.711 -3.807 1.00 0.00 H new ATOM 0 HB2 PHE P 62 -24.136 2.366 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE P 62 -25.403 1.658 -1.590 1.00 0.00 H new ATOM 0 HD1 PHE P 62 -24.345 1.992 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE P 62 -26.368 -0.393 -2.227 1.00 0.00 H new ATOM 0 HE1 PHE P 62 -24.661 0.181 -6.861 1.00 0.00 H new ATOM 0 HE2 PHE P 62 -26.654 -2.216 -3.891 1.00 0.00 H new ATOM 0 HZ PHE P 62 -25.817 -1.924 -6.213 1.00 0.00 H new ATOM 1120 N ILE P 63 -27.990 2.653 -4.253 1.00 0.00 N ATOM 1121 CA ILE P 63 -29.349 2.238 -4.641 1.00 0.00 C ATOM 1122 C ILE P 63 -29.255 1.105 -5.676 1.00 0.00 C ATOM 1123 O ILE P 63 -28.501 1.205 -6.648 1.00 0.00 O ATOM 1124 CB ILE P 63 -30.146 3.446 -5.201 1.00 0.00 C ATOM 1125 CG1 ILE P 63 -30.331 4.595 -4.181 1.00 0.00 C ATOM 1126 CG2 ILE P 63 -31.517 3.024 -5.763 1.00 0.00 C ATOM 1127 CD1 ILE P 63 -31.217 4.280 -2.966 1.00 0.00 C ATOM 0 H ILE P 63 -27.378 2.770 -5.061 1.00 0.00 H new ATOM 0 HA ILE P 63 -29.883 1.871 -3.765 1.00 0.00 H new ATOM 0 HB ILE P 63 -29.531 3.831 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE P 63 -29.347 4.896 -3.820 1.00 0.00 H new ATOM 0 HG13 ILE P 63 -30.755 5.453 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE P 63 -32.040 3.901 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE P 63 -31.374 2.307 -6.572 1.00 0.00 H new ATOM 0 HG23 ILE P 63 -32.109 2.564 -4.971 1.00 0.00 H new ATOM 0 HD11 ILE P 63 -31.275 5.157 -2.321 1.00 0.00 H new ATOM 0 HD12 ILE P 63 -32.218 4.012 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE P 63 -30.788 3.447 -2.409 1.00 0.00 H new ATOM 1139 N VAL P 64 -30.048 0.044 -5.494 1.00 0.00 N ATOM 1140 CA VAL P 64 -30.167 -1.076 -6.448 1.00 0.00 C ATOM 1141 C VAL P 64 -31.162 -0.720 -7.557 1.00 0.00 C ATOM 1142 O VAL P 64 -32.289 -0.302 -7.275 1.00 0.00 O ATOM 1143 CB VAL P 64 -30.586 -2.378 -5.735 1.00 0.00 C ATOM 1144 CG1 VAL P 64 -30.696 -3.561 -6.708 1.00 0.00 C ATOM 1145 CG2 VAL P 64 -29.570 -2.772 -4.653 1.00 0.00 C ATOM 0 H VAL P 64 -30.637 -0.067 -4.668 1.00 0.00 H new ATOM 0 HA VAL P 64 -29.188 -1.247 -6.896 1.00 0.00 H new ATOM 0 HB VAL P 64 -31.560 -2.171 -5.293 1.00 0.00 H new ATOM 0 HG11 VAL P 64 -30.993 -4.456 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL P 64 -31.442 -3.337 -7.470 1.00 0.00 H new ATOM 0 HG13 VAL P 64 -29.731 -3.731 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL P 64 -29.893 -3.693 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL P 64 -28.593 -2.926 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL P 64 -29.502 -1.977 -3.911 1.00 0.00 H new ATOM 1155 N THR P 65 -30.758 -0.902 -8.817 1.00 0.00 N ATOM 1156 CA THR P 65 -31.557 -0.561 -10.016 1.00 0.00 C ATOM 1157 C THR P 65 -32.067 -1.780 -10.798 1.00 0.00 C ATOM 1158 O THR P 65 -32.837 -1.631 -11.750 1.00 0.00 O ATOM 1159 CB THR P 65 -30.762 0.374 -10.946 1.00 0.00 C ATOM 1160 OG1 THR P 65 -29.521 -0.202 -11.314 1.00 0.00 O ATOM 1161 CG2 THR P 65 -30.452 1.702 -10.255 1.00 0.00 C ATOM 0 H THR P 65 -29.847 -1.299 -9.046 1.00 0.00 H new ATOM 0 HA THR P 65 -32.445 -0.050 -9.644 1.00 0.00 H new ATOM 0 HB THR P 65 -31.384 0.534 -11.827 1.00 0.00 H new ATOM 0 HG1 THR P 65 -29.038 0.412 -11.906 1.00 0.00 H new ATOM 0 HG21 THR P 65 -29.890 2.343 -10.934 1.00 0.00 H new ATOM 0 HG22 THR P 65 -31.384 2.195 -9.979 1.00 0.00 H new ATOM 0 HG23 THR P 65 -29.860 1.516 -9.359 1.00 0.00 H new ATOM 1169 N ASP P 66 -31.651 -2.988 -10.403 1.00 0.00 N ATOM 1170 CA ASP P 66 -32.064 -4.282 -10.981 1.00 0.00 C ATOM 1171 C ASP P 66 -33.523 -4.669 -10.653 1.00 0.00 C ATOM 1172 O ASP P 66 -33.943 -4.548 -9.477 1.00 0.00 O ATOM 1173 CB ASP P 66 -31.087 -5.386 -10.531 1.00 0.00 C ATOM 1174 CG ASP P 66 -29.661 -5.217 -11.094 1.00 0.00 C ATOM 1175 OD1 ASP P 66 -29.424 -5.584 -12.274 1.00 0.00 O ATOM 1176 OD2 ASP P 66 -28.766 -4.735 -10.357 1.00 0.00 O ATOM 1177 OXT ASP P 66 -34.244 -5.104 -11.580 1.00 0.00 O ATOM 0 H ASP P 66 -30.987 -3.101 -9.637 1.00 0.00 H new ATOM 0 HA ASP P 66 -32.027 -4.173 -12.065 1.00 0.00 H new ATOM 0 HB2 ASP P 66 -31.040 -5.396 -9.442 1.00 0.00 H new ATOM 0 HB3 ASP P 66 -31.479 -6.355 -10.842 1.00 0.00 H new TER 1182 ASP P 66