USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN : amide:sc= 0.17 K(o=0.34,f=-0.32) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.174 K(o=0.34,f=-0.89) USER MOD Single : A 24 THR OG1 : rot 22:sc= 0.116 USER MOD Single : A 33 ASN : amide:sc= 0.562 K(o=0.56,f=0) USER MOD Single : A 34 HIS : no HE2:sc= 0.293 K(o=0.29,f=-1.1) USER MOD Single : A 42 THR OG1 : rot -120:sc= -0.114 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc=-0.00721 (180deg=-0.0981) USER MOD Single : A 49 TYR OH : rot 37:sc= -1.09 USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= 0.595 (180deg=0.362) USER MOD Single : A 55 GLN : amide:sc= -0.675 K(o=-0.68,f=-4.7!) USER MOD Single : A 56 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot -35:sc= 0.461 USER MOD Single : A 60 THR OG1 : rot 170:sc= 0.19 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 63 SER OG : rot 180:sc= 0.043 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 86 THR OG1 : rot 75:sc= -0.298 USER MOD Single : A 89 SER OG : rot 180:sc= -0.259 USER MOD Single : A 90 MET CE :methyl -159:sc= -1.63 (180deg=-2.7!) USER MOD Single : A 91 HIS : no HD1:sc=-0.000578 X(o=-0.00058,f=-0.38) USER MOD Single : A 94 CYS SG : rot -27:sc= 0.0559 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 150:sc= -0.74 USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 1.810 -10.225 1.029 1.00 0.00 N ATOM 55 CA THR A 24 1.903 -11.613 1.492 1.00 0.00 C ATOM 56 C THR A 24 1.811 -12.590 0.306 1.00 0.00 C ATOM 57 O THR A 24 0.769 -12.664 -0.355 1.00 0.00 O ATOM 58 CB THR A 24 0.781 -11.918 2.536 1.00 0.00 C ATOM 59 OG1 THR A 24 0.848 -10.957 3.603 1.00 0.00 O ATOM 60 CG2 THR A 24 0.899 -13.340 3.124 1.00 0.00 C ATOM 0 HA THR A 24 2.872 -11.748 1.973 1.00 0.00 H new ATOM 0 HB THR A 24 -0.176 -11.852 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.317 -10.155 3.292 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.097 -13.504 3.844 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.821 -14.073 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.862 -13.449 3.623 1.00 0.00 H new ATOM 68 N LEU A 25 2.923 -13.295 0.023 1.00 0.00 N ATOM 69 CA LEU A 25 2.960 -14.349 -0.997 1.00 0.00 C ATOM 70 C LEU A 25 2.319 -15.615 -0.418 1.00 0.00 C ATOM 71 O LEU A 25 2.904 -16.296 0.425 1.00 0.00 O ATOM 72 CB LEU A 25 4.415 -14.608 -1.472 1.00 0.00 C ATOM 73 CG LEU A 25 5.091 -13.429 -2.246 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.552 -13.780 -2.626 1.00 0.00 C ATOM 75 CD2 LEU A 25 4.257 -13.030 -3.495 1.00 0.00 C ATOM 0 H LEU A 25 3.815 -13.147 0.495 1.00 0.00 H new ATOM 0 HA LEU A 25 2.395 -14.035 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.026 -14.845 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.418 -15.489 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 25 5.122 -12.564 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.999 -12.944 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.126 -13.978 -1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.560 -14.665 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.750 -12.208 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.174 -13.885 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.261 -12.716 -3.182 1.00 0.00 H new ATOM 87 N VAL A 26 1.084 -15.873 -0.834 1.00 0.00 N ATOM 88 CA VAL A 26 0.298 -17.020 -0.396 1.00 0.00 C ATOM 89 C VAL A 26 0.395 -18.128 -1.458 1.00 0.00 C ATOM 90 O VAL A 26 0.368 -17.852 -2.659 1.00 0.00 O ATOM 91 CB VAL A 26 -1.202 -16.612 -0.168 1.00 0.00 C ATOM 92 CG1 VAL A 26 -2.033 -17.788 0.387 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.331 -15.358 0.743 1.00 0.00 C ATOM 0 H VAL A 26 0.591 -15.278 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 26 0.693 -17.385 0.552 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.609 -16.349 -1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.065 -17.468 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.006 -18.618 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.616 -18.110 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.384 -15.111 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.883 -15.567 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.816 -14.517 0.279 1.00 0.00 H new ATOM 103 N ARG A 27 0.525 -19.373 -1.000 1.00 0.00 N ATOM 104 CA ARG A 27 0.606 -20.566 -1.865 1.00 0.00 C ATOM 105 C ARG A 27 -0.658 -21.423 -1.670 1.00 0.00 C ATOM 106 O ARG A 27 -1.352 -21.266 -0.661 1.00 0.00 O ATOM 107 CB ARG A 27 1.899 -21.387 -1.577 1.00 0.00 C ATOM 108 CG ARG A 27 2.066 -21.934 -0.128 1.00 0.00 C ATOM 109 CD ARG A 27 2.526 -20.868 0.885 1.00 0.00 C ATOM 110 NE ARG A 27 2.649 -21.407 2.251 1.00 0.00 N ATOM 111 CZ ARG A 27 2.924 -20.689 3.350 1.00 0.00 C ATOM 112 NH1 ARG A 27 3.091 -19.373 3.291 1.00 0.00 N ATOM 113 NH2 ARG A 27 3.043 -21.301 4.516 1.00 0.00 N ATOM 0 H ARG A 27 0.578 -19.592 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 27 0.660 -20.247 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.928 -22.231 -2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.760 -20.759 -1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.117 -22.353 0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.789 -22.750 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.487 -20.462 0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.816 -20.041 0.886 1.00 0.00 H new ATOM 0 HE ARG A 27 2.514 -22.411 2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.011 -18.888 2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.300 -18.847 4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.926 -22.313 4.575 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.252 -20.762 5.356 1.00 0.00 H new ATOM 127 N ILE A 28 -0.939 -22.340 -2.628 1.00 0.00 N ATOM 128 CA ILE A 28 -2.170 -23.186 -2.621 1.00 0.00 C ATOM 129 C ILE A 28 -2.304 -23.999 -1.314 1.00 0.00 C ATOM 130 O ILE A 28 -3.406 -24.111 -0.756 1.00 0.00 O ATOM 131 CB ILE A 28 -2.244 -24.142 -3.880 1.00 0.00 C ATOM 132 CG1 ILE A 28 -3.563 -25.003 -3.869 1.00 0.00 C ATOM 133 CG2 ILE A 28 -0.978 -25.031 -4.001 1.00 0.00 C ATOM 134 CD1 ILE A 28 -3.748 -25.918 -5.071 1.00 0.00 C ATOM 0 H ILE A 28 -0.327 -22.517 -3.424 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.013 -22.498 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.275 -23.510 -4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.574 -25.611 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.418 -24.329 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.067 -25.673 -4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.097 -24.397 -4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.880 -25.648 -3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.684 -26.467 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.775 -25.321 -5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.918 -26.622 -5.123 1.00 0.00 H new ATOM 146 N ALA A 29 -1.157 -24.489 -0.808 1.00 0.00 N ATOM 147 CA ALA A 29 -1.083 -25.258 0.452 1.00 0.00 C ATOM 148 C ALA A 29 -1.595 -24.423 1.647 1.00 0.00 C ATOM 149 O ALA A 29 -2.297 -24.932 2.521 1.00 0.00 O ATOM 150 CB ALA A 29 0.362 -25.729 0.692 1.00 0.00 C ATOM 0 H ALA A 29 -0.252 -24.363 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.729 -26.132 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.410 -26.295 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.680 -26.363 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.020 -24.863 0.760 1.00 0.00 H new ATOM 156 N ASP A 30 -1.279 -23.112 1.620 1.00 0.00 N ATOM 157 CA ASP A 30 -1.646 -22.164 2.692 1.00 0.00 C ATOM 158 C ASP A 30 -3.169 -21.886 2.693 1.00 0.00 C ATOM 159 O ASP A 30 -3.764 -21.713 3.763 1.00 0.00 O ATOM 160 CB ASP A 30 -0.837 -20.849 2.547 1.00 0.00 C ATOM 161 CG ASP A 30 -1.003 -19.888 3.748 1.00 0.00 C ATOM 162 OD1 ASP A 30 -0.580 -20.248 4.870 1.00 0.00 O ATOM 163 OD2 ASP A 30 -1.540 -18.775 3.576 1.00 0.00 O ATOM 0 H ASP A 30 -0.762 -22.681 0.854 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.396 -22.616 3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.219 -21.092 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.150 -20.338 1.637 1.00 0.00 H new ATOM 168 N LEU A 31 -3.791 -21.865 1.482 1.00 0.00 N ATOM 169 CA LEU A 31 -5.273 -21.798 1.340 1.00 0.00 C ATOM 170 C LEU A 31 -5.941 -23.014 2.014 1.00 0.00 C ATOM 171 O LEU A 31 -6.915 -22.861 2.754 1.00 0.00 O ATOM 172 CB LEU A 31 -5.746 -21.757 -0.156 1.00 0.00 C ATOM 173 CG LEU A 31 -5.639 -20.396 -0.919 1.00 0.00 C ATOM 174 CD1 LEU A 31 -4.190 -20.047 -1.293 1.00 0.00 C ATOM 175 CD2 LEU A 31 -6.555 -20.392 -2.169 1.00 0.00 C ATOM 0 H LEU A 31 -3.291 -21.893 0.593 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.572 -20.869 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.169 -22.497 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.788 -22.077 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.983 -19.619 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.170 -19.093 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.588 -19.973 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.783 -20.827 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.464 -19.435 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.256 -21.196 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.590 -20.542 -1.862 1.00 0.00 H new ATOM 187 N GLU A 32 -5.390 -24.205 1.731 1.00 0.00 N ATOM 188 CA GLU A 32 -5.947 -25.504 2.163 1.00 0.00 C ATOM 189 C GLU A 32 -5.942 -25.660 3.702 1.00 0.00 C ATOM 190 O GLU A 32 -6.925 -26.140 4.289 1.00 0.00 O ATOM 191 CB GLU A 32 -5.143 -26.658 1.503 1.00 0.00 C ATOM 192 CG GLU A 32 -5.244 -26.719 -0.034 1.00 0.00 C ATOM 193 CD GLU A 32 -4.370 -27.827 -0.647 1.00 0.00 C ATOM 194 OE1 GLU A 32 -4.792 -29.002 -0.633 1.00 0.00 O ATOM 195 OE2 GLU A 32 -3.244 -27.530 -1.110 1.00 0.00 O ATOM 0 H GLU A 32 -4.532 -24.298 1.188 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.988 -25.545 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.094 -26.556 1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.491 -27.606 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.283 -26.883 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.948 -25.757 -0.451 1.00 0.00 H new ATOM 202 N ASN A 33 -4.830 -25.248 4.341 1.00 0.00 N ATOM 203 CA ASN A 33 -4.703 -25.276 5.817 1.00 0.00 C ATOM 204 C ASN A 33 -5.618 -24.224 6.468 1.00 0.00 C ATOM 205 O ASN A 33 -6.272 -24.506 7.481 1.00 0.00 O ATOM 206 CB ASN A 33 -3.237 -25.066 6.284 1.00 0.00 C ATOM 207 CG ASN A 33 -2.321 -26.258 5.972 1.00 0.00 C ATOM 208 OD1 ASN A 33 -2.292 -27.240 6.711 1.00 0.00 O ATOM 209 ND2 ASN A 33 -1.529 -26.165 4.914 1.00 0.00 N ATOM 0 H ASN A 33 -4.004 -24.891 3.860 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.016 -26.269 6.140 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.835 -24.173 5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.229 -24.882 7.358 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.877 -26.919 4.698 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.572 -25.340 4.316 1.00 0.00 H new ATOM 216 N HIS A 34 -5.675 -23.019 5.854 1.00 0.00 N ATOM 217 CA HIS A 34 -6.512 -21.896 6.344 1.00 0.00 C ATOM 218 C HIS A 34 -8.019 -22.228 6.208 1.00 0.00 C ATOM 219 O HIS A 34 -8.854 -21.739 6.983 1.00 0.00 O ATOM 220 CB HIS A 34 -6.175 -20.581 5.589 1.00 0.00 C ATOM 221 CG HIS A 34 -6.797 -19.364 6.213 1.00 0.00 C ATOM 222 ND1 HIS A 34 -8.022 -18.871 5.834 1.00 0.00 N ATOM 223 CD2 HIS A 34 -6.375 -18.574 7.230 1.00 0.00 C ATOM 224 CE1 HIS A 34 -8.328 -17.836 6.584 1.00 0.00 C ATOM 225 NE2 HIS A 34 -7.346 -17.633 7.439 1.00 0.00 N ATOM 0 H HIS A 34 -5.146 -22.798 5.010 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.288 -21.750 7.401 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.093 -20.454 5.560 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.514 -20.665 4.556 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.604 -19.249 5.087 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.447 -18.669 7.773 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.232 -17.250 6.512 1.00 0.00 H new ATOM 234 N ASN A 35 -8.341 -23.073 5.216 1.00 0.00 N ATOM 235 CA ASN A 35 -9.708 -23.571 4.970 1.00 0.00 C ATOM 236 C ASN A 35 -10.173 -24.447 6.153 1.00 0.00 C ATOM 237 O ASN A 35 -11.251 -24.224 6.716 1.00 0.00 O ATOM 238 CB ASN A 35 -9.746 -24.365 3.635 1.00 0.00 C ATOM 239 CG ASN A 35 -11.114 -24.983 3.319 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.975 -24.336 2.728 1.00 0.00 O ATOM 241 ND2 ASN A 35 -11.316 -26.242 3.694 1.00 0.00 N ATOM 0 H ASN A 35 -7.654 -23.435 4.554 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.392 -22.727 4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.462 -23.700 2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.000 -25.159 3.674 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.206 -26.698 3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.581 -26.753 4.183 1.00 0.00 H new ATOM 248 N ASN A 36 -9.307 -25.416 6.541 1.00 0.00 N ATOM 249 CA ASN A 36 -9.579 -26.356 7.652 1.00 0.00 C ATOM 250 C ASN A 36 -9.422 -25.672 9.026 1.00 0.00 C ATOM 251 O ASN A 36 -9.861 -26.214 10.047 1.00 0.00 O ATOM 252 CB ASN A 36 -8.665 -27.610 7.552 1.00 0.00 C ATOM 253 CG ASN A 36 -8.859 -28.415 6.259 1.00 0.00 C ATOM 254 OD1 ASN A 36 -9.859 -28.271 5.557 1.00 0.00 O ATOM 255 ND2 ASN A 36 -7.928 -29.306 5.965 1.00 0.00 N ATOM 0 H ASN A 36 -8.403 -25.566 6.092 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.616 -26.679 7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.624 -27.296 7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.859 -28.259 8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.029 -29.895 5.138 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.109 -29.404 6.565 1.00 0.00 H new ATOM 262 N ASP A 37 -8.785 -24.488 9.039 1.00 0.00 N ATOM 263 CA ASP A 37 -8.728 -23.604 10.222 1.00 0.00 C ATOM 264 C ASP A 37 -10.131 -23.025 10.524 1.00 0.00 C ATOM 265 O ASP A 37 -10.508 -22.847 11.690 1.00 0.00 O ATOM 266 CB ASP A 37 -7.689 -22.473 9.964 1.00 0.00 C ATOM 267 CG ASP A 37 -7.708 -21.342 11.012 1.00 0.00 C ATOM 268 OD1 ASP A 37 -7.155 -21.529 12.118 1.00 0.00 O ATOM 269 OD2 ASP A 37 -8.261 -20.256 10.726 1.00 0.00 O ATOM 0 H ASP A 37 -8.293 -24.114 8.228 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.413 -24.174 11.096 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.691 -22.911 9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.874 -22.043 8.980 1.00 0.00 H new ATOM 274 N GLY A 38 -10.903 -22.773 9.448 1.00 0.00 N ATOM 275 CA GLY A 38 -12.269 -22.232 9.545 1.00 0.00 C ATOM 276 C GLY A 38 -12.413 -20.897 8.828 1.00 0.00 C ATOM 277 O GLY A 38 -13.137 -20.008 9.289 1.00 0.00 O ATOM 0 H GLY A 38 -10.596 -22.939 8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.972 -22.948 9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.535 -22.109 10.595 1.00 0.00 H new ATOM 281 N GLY A 39 -11.715 -20.765 7.689 1.00 0.00 N ATOM 282 CA GLY A 39 -11.781 -19.574 6.846 1.00 0.00 C ATOM 283 C GLY A 39 -11.554 -19.952 5.397 1.00 0.00 C ATOM 284 O GLY A 39 -10.425 -20.280 5.019 1.00 0.00 O ATOM 0 H GLY A 39 -11.089 -21.486 7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.753 -19.093 6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.030 -18.851 7.164 1.00 0.00 H new ATOM 288 N PHE A 40 -12.619 -19.916 4.574 1.00 0.00 N ATOM 289 CA PHE A 40 -12.546 -20.366 3.179 1.00 0.00 C ATOM 290 C PHE A 40 -11.804 -19.299 2.357 1.00 0.00 C ATOM 291 O PHE A 40 -12.172 -18.122 2.382 1.00 0.00 O ATOM 292 CB PHE A 40 -13.971 -20.626 2.592 1.00 0.00 C ATOM 293 CG PHE A 40 -13.969 -21.409 1.263 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.654 -20.788 0.050 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.252 -22.778 1.235 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.631 -21.499 -1.136 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.226 -23.490 0.045 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.912 -22.850 -1.137 1.00 0.00 C ATOM 0 H PHE A 40 -13.540 -19.579 4.856 1.00 0.00 H new ATOM 0 HA PHE A 40 -12.004 -21.310 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.560 -21.177 3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.469 -19.669 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.424 -19.733 0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.495 -23.289 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.393 -20.997 -2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.452 -24.546 0.043 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.886 -23.406 -2.062 1.00 0.00 H new ATOM 308 N TRP A 41 -10.742 -19.733 1.668 1.00 0.00 N ATOM 309 CA TRP A 41 -9.908 -18.879 0.810 1.00 0.00 C ATOM 310 C TRP A 41 -10.015 -19.331 -0.649 1.00 0.00 C ATOM 311 O TRP A 41 -10.252 -20.514 -0.938 1.00 0.00 O ATOM 312 CB TRP A 41 -8.419 -18.896 1.297 1.00 0.00 C ATOM 313 CG TRP A 41 -8.071 -17.839 2.327 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.930 -17.044 3.023 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.756 -17.465 2.754 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.234 -16.188 3.828 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.905 -16.424 3.690 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.470 -17.900 2.435 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.821 -15.818 4.307 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.396 -17.292 3.047 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.576 -16.261 3.974 1.00 0.00 C ATOM 0 H TRP A 41 -10.432 -20.704 1.691 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.270 -17.853 0.878 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.201 -19.878 1.718 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.768 -18.768 0.432 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.007 -17.085 2.949 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.648 -15.482 4.437 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.319 -18.697 1.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.958 -15.024 5.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.395 -17.618 2.806 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.711 -15.807 4.435 1.00 0.00 H new ATOM 332 N THR A 42 -9.823 -18.363 -1.554 1.00 0.00 N ATOM 333 CA THR A 42 -9.860 -18.569 -3.009 1.00 0.00 C ATOM 334 C THR A 42 -8.798 -17.682 -3.682 1.00 0.00 C ATOM 335 O THR A 42 -8.284 -16.745 -3.064 1.00 0.00 O ATOM 336 CB THR A 42 -11.278 -18.237 -3.590 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.342 -18.600 -4.978 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.634 -16.742 -3.440 1.00 0.00 C ATOM 0 H THR A 42 -9.634 -17.396 -1.291 1.00 0.00 H new ATOM 0 HA THR A 42 -9.646 -19.618 -3.215 1.00 0.00 H new ATOM 0 HB THR A 42 -12.002 -18.816 -3.016 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.542 -17.805 -5.515 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.625 -16.560 -3.857 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.629 -16.471 -2.384 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.900 -16.138 -3.973 1.00 0.00 H new ATOM 346 N VAL A 43 -8.489 -17.981 -4.951 1.00 0.00 N ATOM 347 CA VAL A 43 -7.558 -17.189 -5.771 1.00 0.00 C ATOM 348 C VAL A 43 -8.332 -16.608 -6.953 1.00 0.00 C ATOM 349 O VAL A 43 -8.783 -17.348 -7.830 1.00 0.00 O ATOM 350 CB VAL A 43 -6.345 -18.048 -6.289 1.00 0.00 C ATOM 351 CG1 VAL A 43 -5.456 -17.244 -7.276 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.517 -18.585 -5.107 1.00 0.00 C ATOM 0 H VAL A 43 -8.880 -18.785 -5.442 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.141 -16.393 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.749 -18.899 -6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.629 -17.869 -7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.052 -16.937 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.062 -16.360 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.683 -19.176 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.133 -17.749 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.148 -19.210 -4.475 1.00 0.00 H new ATOM 362 N ILE A 44 -8.508 -15.286 -6.955 1.00 0.00 N ATOM 363 CA ILE A 44 -9.147 -14.558 -8.053 1.00 0.00 C ATOM 364 C ILE A 44 -8.065 -13.755 -8.798 1.00 0.00 C ATOM 365 O ILE A 44 -7.571 -12.748 -8.274 1.00 0.00 O ATOM 366 CB ILE A 44 -10.282 -13.583 -7.546 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.187 -14.266 -6.464 1.00 0.00 C ATOM 368 CG2 ILE A 44 -11.133 -13.061 -8.731 1.00 0.00 C ATOM 369 CD1 ILE A 44 -11.972 -15.480 -6.931 1.00 0.00 C ATOM 0 H ILE A 44 -8.208 -14.685 -6.188 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.622 -15.282 -8.715 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.795 -12.729 -7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.557 -14.564 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.891 -13.525 -6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.907 -12.392 -8.356 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.493 -12.520 -9.428 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.598 -13.903 -9.244 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.563 -15.872 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.636 -15.192 -7.746 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.281 -16.248 -7.279 1.00 0.00 H new ATOM 381 N ASP A 45 -7.663 -14.262 -9.983 1.00 0.00 N ATOM 382 CA ASP A 45 -6.767 -13.561 -10.936 1.00 0.00 C ATOM 383 C ASP A 45 -5.376 -13.237 -10.311 1.00 0.00 C ATOM 384 O ASP A 45 -4.809 -12.157 -10.517 1.00 0.00 O ATOM 385 CB ASP A 45 -7.493 -12.294 -11.508 1.00 0.00 C ATOM 386 CG ASP A 45 -6.777 -11.672 -12.717 1.00 0.00 C ATOM 387 OD1 ASP A 45 -6.777 -12.303 -13.795 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.171 -10.583 -12.582 1.00 0.00 O ATOM 0 H ASP A 45 -7.954 -15.183 -10.312 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.553 -14.229 -11.770 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.508 -12.566 -11.797 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.576 -11.546 -10.720 1.00 0.00 H new ATOM 393 N GLY A 46 -4.825 -14.207 -9.558 1.00 0.00 N ATOM 394 CA GLY A 46 -3.474 -14.091 -8.977 1.00 0.00 C ATOM 395 C GLY A 46 -3.436 -13.344 -7.644 1.00 0.00 C ATOM 396 O GLY A 46 -2.356 -12.957 -7.174 1.00 0.00 O ATOM 0 H GLY A 46 -5.297 -15.084 -9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.063 -15.091 -8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.826 -13.579 -9.688 1.00 0.00 H new ATOM 400 N LYS A 47 -4.616 -13.115 -7.042 1.00 0.00 N ATOM 401 CA LYS A 47 -4.751 -12.550 -5.683 1.00 0.00 C ATOM 402 C LYS A 47 -5.584 -13.506 -4.832 1.00 0.00 C ATOM 403 O LYS A 47 -6.515 -14.122 -5.337 1.00 0.00 O ATOM 404 CB LYS A 47 -5.435 -11.154 -5.719 1.00 0.00 C ATOM 405 CG LYS A 47 -4.662 -10.056 -6.468 1.00 0.00 C ATOM 406 CD LYS A 47 -3.295 -9.743 -5.832 1.00 0.00 C ATOM 407 CE LYS A 47 -2.602 -8.550 -6.508 1.00 0.00 C ATOM 408 NZ LYS A 47 -2.448 -8.743 -7.974 1.00 0.00 N ATOM 0 H LYS A 47 -5.511 -13.318 -7.486 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.756 -12.427 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.417 -11.262 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.599 -10.823 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.513 -10.365 -7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.263 -9.147 -6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.429 -9.530 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.654 -10.621 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.179 -7.644 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.620 -8.401 -6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.873 -7.971 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.978 -9.653 -8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.385 -8.740 -8.425 1.00 0.00 H new ATOM 422 N VAL A 48 -5.254 -13.627 -3.541 1.00 0.00 N ATOM 423 CA VAL A 48 -6.001 -14.484 -2.597 1.00 0.00 C ATOM 424 C VAL A 48 -6.974 -13.627 -1.777 1.00 0.00 C ATOM 425 O VAL A 48 -6.623 -12.528 -1.333 1.00 0.00 O ATOM 426 CB VAL A 48 -5.046 -15.287 -1.646 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.828 -16.256 -0.718 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.987 -16.045 -2.471 1.00 0.00 C ATOM 0 H VAL A 48 -4.466 -13.138 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.560 -15.214 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.540 -14.569 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.127 -16.791 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.523 -15.687 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.384 -16.971 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.330 -16.598 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.483 -16.740 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.398 -15.333 -3.049 1.00 0.00 H new ATOM 438 N TYR A 49 -8.204 -14.144 -1.599 1.00 0.00 N ATOM 439 CA TYR A 49 -9.314 -13.447 -0.923 1.00 0.00 C ATOM 440 C TYR A 49 -9.905 -14.331 0.178 1.00 0.00 C ATOM 441 O TYR A 49 -9.824 -15.566 0.104 1.00 0.00 O ATOM 442 CB TYR A 49 -10.428 -13.091 -1.946 1.00 0.00 C ATOM 443 CG TYR A 49 -10.048 -12.031 -2.990 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.162 -12.320 -4.027 1.00 0.00 C ATOM 445 CD2 TYR A 49 -10.558 -10.734 -2.928 1.00 0.00 C ATOM 446 CE1 TYR A 49 -8.803 -11.361 -4.949 1.00 0.00 C ATOM 447 CE2 TYR A 49 -10.196 -9.776 -3.846 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.318 -10.092 -4.853 1.00 0.00 C ATOM 449 OH TYR A 49 -8.935 -9.127 -5.757 1.00 0.00 O ATOM 0 H TYR A 49 -8.459 -15.076 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.923 -12.531 -0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.723 -14.001 -2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.302 -12.740 -1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.749 -13.315 -4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.252 -10.477 -2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.117 -11.607 -5.746 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.601 -8.778 -3.775 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.827 -9.533 -6.642 1.00 0.00 H new ATOM 459 N ASP A 50 -10.526 -13.685 1.184 1.00 0.00 N ATOM 460 CA ASP A 50 -11.233 -14.377 2.275 1.00 0.00 C ATOM 461 C ASP A 50 -12.740 -14.438 1.940 1.00 0.00 C ATOM 462 O ASP A 50 -13.456 -13.437 2.072 1.00 0.00 O ATOM 463 CB ASP A 50 -10.982 -13.654 3.636 1.00 0.00 C ATOM 464 CG ASP A 50 -11.281 -14.537 4.873 1.00 0.00 C ATOM 465 OD1 ASP A 50 -12.465 -14.782 5.177 1.00 0.00 O ATOM 466 OD2 ASP A 50 -10.325 -14.995 5.537 1.00 0.00 O ATOM 0 H ASP A 50 -10.551 -12.668 1.262 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.852 -15.394 2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.943 -13.326 3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.601 -12.758 3.681 1.00 0.00 H new ATOM 471 N ILE A 51 -13.193 -15.615 1.472 1.00 0.00 N ATOM 472 CA ILE A 51 -14.611 -15.880 1.117 1.00 0.00 C ATOM 473 C ILE A 51 -15.534 -15.789 2.340 1.00 0.00 C ATOM 474 O ILE A 51 -16.684 -15.362 2.209 1.00 0.00 O ATOM 475 CB ILE A 51 -14.772 -17.289 0.392 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.258 -17.211 -1.073 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.223 -17.866 0.430 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.064 -16.279 -1.967 1.00 0.00 C ATOM 0 H ILE A 51 -12.584 -16.420 1.326 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.915 -15.101 0.418 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.159 -17.986 0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.219 -16.881 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.271 -18.212 -1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.246 -18.826 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.533 -18.002 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -16.903 -17.173 -0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.640 -16.282 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.099 -16.619 -2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.031 -15.268 -1.562 1.00 0.00 H new ATOM 490 N LYS A 52 -15.024 -16.172 3.520 1.00 0.00 N ATOM 491 CA LYS A 52 -15.815 -16.157 4.761 1.00 0.00 C ATOM 492 C LYS A 52 -16.216 -14.706 5.123 1.00 0.00 C ATOM 493 O LYS A 52 -17.370 -14.439 5.463 1.00 0.00 O ATOM 494 CB LYS A 52 -15.023 -16.803 5.917 1.00 0.00 C ATOM 495 CG LYS A 52 -15.794 -16.854 7.260 1.00 0.00 C ATOM 496 CD LYS A 52 -14.942 -17.406 8.418 1.00 0.00 C ATOM 497 CE LYS A 52 -13.698 -16.544 8.687 1.00 0.00 C ATOM 498 NZ LYS A 52 -12.899 -17.069 9.815 1.00 0.00 N ATOM 0 H LYS A 52 -14.065 -16.497 3.642 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.722 -16.739 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.745 -17.817 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.096 -16.248 6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.138 -15.851 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.682 -17.475 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.549 -17.456 9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.632 -18.425 8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.080 -16.508 7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.005 -15.521 8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.926 -16.707 9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.323 -16.761 10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.885 -18.108 9.777 1.00 0.00 H new ATOM 512 N ASP A 53 -15.249 -13.781 4.995 1.00 0.00 N ATOM 513 CA ASP A 53 -15.454 -12.334 5.236 1.00 0.00 C ATOM 514 C ASP A 53 -16.402 -11.744 4.168 1.00 0.00 C ATOM 515 O ASP A 53 -17.272 -10.923 4.478 1.00 0.00 O ATOM 516 CB ASP A 53 -14.088 -11.589 5.211 1.00 0.00 C ATOM 517 CG ASP A 53 -14.203 -10.106 5.631 1.00 0.00 C ATOM 518 OD1 ASP A 53 -14.268 -9.828 6.848 1.00 0.00 O ATOM 519 OD2 ASP A 53 -14.199 -9.213 4.758 1.00 0.00 O ATOM 0 H ASP A 53 -14.295 -14.014 4.720 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.909 -12.203 6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.391 -12.097 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.668 -11.645 4.207 1.00 0.00 H new ATOM 524 N PHE A 54 -16.209 -12.204 2.913 1.00 0.00 N ATOM 525 CA PHE A 54 -17.027 -11.824 1.738 1.00 0.00 C ATOM 526 C PHE A 54 -18.529 -12.107 1.974 1.00 0.00 C ATOM 527 O PHE A 54 -19.365 -11.200 1.881 1.00 0.00 O ATOM 528 CB PHE A 54 -16.485 -12.593 0.491 1.00 0.00 C ATOM 529 CG PHE A 54 -17.284 -12.431 -0.807 1.00 0.00 C ATOM 530 CD1 PHE A 54 -17.004 -11.401 -1.698 1.00 0.00 C ATOM 531 CD2 PHE A 54 -18.315 -13.322 -1.140 1.00 0.00 C ATOM 532 CE1 PHE A 54 -17.725 -11.262 -2.870 1.00 0.00 C ATOM 533 CE2 PHE A 54 -19.033 -13.174 -2.312 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.736 -12.146 -3.179 1.00 0.00 C ATOM 0 H PHE A 54 -15.466 -12.863 2.682 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.944 -10.751 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.462 -12.266 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.442 -13.654 0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.214 -10.701 -1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -18.551 -14.136 -0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.494 -10.454 -3.549 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -19.828 -13.866 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.293 -12.033 -4.097 1.00 0.00 H new ATOM 544 N GLN A 55 -18.842 -13.367 2.319 1.00 0.00 N ATOM 545 CA GLN A 55 -20.229 -13.837 2.522 1.00 0.00 C ATOM 546 C GLN A 55 -20.848 -13.221 3.799 1.00 0.00 C ATOM 547 O GLN A 55 -22.075 -13.082 3.893 1.00 0.00 O ATOM 548 CB GLN A 55 -20.291 -15.392 2.518 1.00 0.00 C ATOM 549 CG GLN A 55 -19.503 -16.099 3.639 1.00 0.00 C ATOM 550 CD GLN A 55 -19.362 -17.623 3.452 1.00 0.00 C ATOM 551 OE1 GLN A 55 -18.364 -18.220 3.865 1.00 0.00 O ATOM 552 NE2 GLN A 55 -20.367 -18.274 2.879 1.00 0.00 N ATOM 0 H GLN A 55 -18.141 -14.093 2.466 1.00 0.00 H new ATOM 0 HA GLN A 55 -20.837 -13.492 1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.336 -15.695 2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -19.919 -15.749 1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -18.508 -15.659 3.701 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -19.997 -15.906 4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -21.183 -17.761 2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -20.324 -19.288 2.773 1.00 0.00 H new ATOM 561 N THR A 56 -19.985 -12.853 4.776 1.00 0.00 N ATOM 562 CA THR A 56 -20.408 -12.086 5.971 1.00 0.00 C ATOM 563 C THR A 56 -20.953 -10.686 5.571 1.00 0.00 C ATOM 564 O THR A 56 -21.970 -10.234 6.106 1.00 0.00 O ATOM 565 CB THR A 56 -19.237 -11.929 7.007 1.00 0.00 C ATOM 566 OG1 THR A 56 -18.763 -13.219 7.404 1.00 0.00 O ATOM 567 CG2 THR A 56 -19.653 -11.153 8.272 1.00 0.00 C ATOM 0 H THR A 56 -18.990 -13.076 4.759 1.00 0.00 H new ATOM 0 HA THR A 56 -21.208 -12.654 6.447 1.00 0.00 H new ATOM 0 HB THR A 56 -18.455 -11.359 6.505 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.146 -13.564 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 56 -18.802 -11.078 8.949 1.00 0.00 H new ATOM 0 HG22 THR A 56 -19.984 -10.153 7.993 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.467 -11.679 8.770 1.00 0.00 H new ATOM 575 N GLN A 57 -20.271 -10.020 4.614 1.00 0.00 N ATOM 576 CA GLN A 57 -20.684 -8.694 4.100 1.00 0.00 C ATOM 577 C GLN A 57 -21.972 -8.811 3.256 1.00 0.00 C ATOM 578 O GLN A 57 -22.770 -7.871 3.183 1.00 0.00 O ATOM 579 CB GLN A 57 -19.536 -8.077 3.261 1.00 0.00 C ATOM 580 CG GLN A 57 -18.203 -7.891 4.012 1.00 0.00 C ATOM 581 CD GLN A 57 -18.294 -6.973 5.227 1.00 0.00 C ATOM 582 OE1 GLN A 57 -18.131 -5.756 5.111 1.00 0.00 O ATOM 583 NE2 GLN A 57 -18.524 -7.545 6.405 1.00 0.00 N ATOM 0 H GLN A 57 -19.424 -10.383 4.178 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.896 -8.040 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.360 -8.712 2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.862 -7.107 2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.841 -8.867 4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.462 -7.489 3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.654 -8.555 6.465 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.570 -6.974 7.249 1.00 0.00 H new ATOM 592 N SER A 58 -22.179 -10.008 2.662 1.00 0.00 N ATOM 593 CA SER A 58 -23.364 -10.328 1.844 1.00 0.00 C ATOM 594 C SER A 58 -24.607 -10.629 2.733 1.00 0.00 C ATOM 595 O SER A 58 -25.630 -11.113 2.234 1.00 0.00 O ATOM 596 CB SER A 58 -23.036 -11.530 0.914 1.00 0.00 C ATOM 597 OG SER A 58 -24.073 -11.785 -0.021 1.00 0.00 O ATOM 0 H SER A 58 -21.521 -10.783 2.739 1.00 0.00 H new ATOM 0 HA SER A 58 -23.614 -9.460 1.234 1.00 0.00 H new ATOM 0 HB2 SER A 58 -22.108 -11.330 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.869 -12.421 1.520 1.00 0.00 H new ATOM 0 HG SER A 58 -24.941 -11.604 0.396 1.00 0.00 H new ATOM 603 N LEU A 59 -24.512 -10.350 4.051 1.00 0.00 N ATOM 604 CA LEU A 59 -25.660 -10.413 4.977 1.00 0.00 C ATOM 605 C LEU A 59 -26.690 -9.302 4.652 1.00 0.00 C ATOM 606 O LEU A 59 -27.905 -9.528 4.710 1.00 0.00 O ATOM 607 CB LEU A 59 -25.166 -10.281 6.448 1.00 0.00 C ATOM 608 CG LEU A 59 -26.251 -10.463 7.563 1.00 0.00 C ATOM 609 CD1 LEU A 59 -26.874 -11.878 7.521 1.00 0.00 C ATOM 610 CD2 LEU A 59 -25.680 -10.137 8.966 1.00 0.00 C ATOM 0 H LEU A 59 -23.639 -10.075 4.501 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.152 -11.378 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.380 -11.018 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -24.712 -9.298 6.570 1.00 0.00 H new ATOM 0 HG LEU A 59 -27.050 -9.749 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -27.623 -11.969 8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -27.345 -12.039 6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.094 -12.624 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -26.459 -10.273 9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -24.846 -10.804 9.183 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.333 -9.104 8.987 1.00 0.00 H new ATOM 622 N THR A 60 -26.182 -8.101 4.312 1.00 0.00 N ATOM 623 CA THR A 60 -27.023 -6.917 4.031 1.00 0.00 C ATOM 624 C THR A 60 -27.205 -6.691 2.524 1.00 0.00 C ATOM 625 O THR A 60 -26.299 -6.958 1.719 1.00 0.00 O ATOM 626 CB THR A 60 -26.430 -5.627 4.686 1.00 0.00 C ATOM 627 OG1 THR A 60 -27.285 -4.494 4.429 1.00 0.00 O ATOM 628 CG2 THR A 60 -25.014 -5.308 4.190 1.00 0.00 C ATOM 0 H THR A 60 -25.181 -7.923 4.224 1.00 0.00 H new ATOM 0 HA THR A 60 -28.000 -7.119 4.470 1.00 0.00 H new ATOM 0 HB THR A 60 -26.373 -5.823 5.757 1.00 0.00 H new ATOM 0 HG1 THR A 60 -26.993 -3.733 4.974 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.653 -4.403 4.678 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.349 -6.138 4.428 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.032 -5.156 3.111 1.00 0.00 H new ATOM 636 N GLU A 61 -28.392 -6.170 2.170 1.00 0.00 N ATOM 637 CA GLU A 61 -28.740 -5.780 0.795 1.00 0.00 C ATOM 638 C GLU A 61 -28.110 -4.423 0.437 1.00 0.00 C ATOM 639 O GLU A 61 -28.003 -4.073 -0.743 1.00 0.00 O ATOM 640 CB GLU A 61 -30.282 -5.718 0.606 1.00 0.00 C ATOM 641 CG GLU A 61 -31.018 -4.518 1.268 1.00 0.00 C ATOM 642 CD GLU A 61 -31.003 -4.543 2.806 1.00 0.00 C ATOM 643 OE1 GLU A 61 -31.890 -5.174 3.412 1.00 0.00 O ATOM 644 OE2 GLU A 61 -30.079 -3.961 3.415 1.00 0.00 O ATOM 0 H GLU A 61 -29.145 -6.006 2.839 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.340 -6.540 0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.494 -5.699 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.711 -6.640 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -30.559 -3.591 0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -32.053 -4.507 0.926 1.00 0.00 H new ATOM 651 N ASN A 62 -27.728 -3.651 1.480 1.00 0.00 N ATOM 652 CA ASN A 62 -27.025 -2.366 1.324 1.00 0.00 C ATOM 653 C ASN A 62 -25.645 -2.590 0.671 1.00 0.00 C ATOM 654 O ASN A 62 -25.134 -1.713 -0.032 1.00 0.00 O ATOM 655 CB ASN A 62 -26.882 -1.668 2.706 1.00 0.00 C ATOM 656 CG ASN A 62 -26.298 -0.250 2.633 1.00 0.00 C ATOM 657 OD1 ASN A 62 -26.461 0.459 1.643 1.00 0.00 O ATOM 658 ND2 ASN A 62 -25.624 0.181 3.692 1.00 0.00 N ATOM 0 H ASN A 62 -27.901 -3.906 2.452 1.00 0.00 H new ATOM 0 HA ASN A 62 -27.607 -1.716 0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.862 -1.622 3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -26.246 -2.279 3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -25.227 1.121 3.696 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -25.503 -0.427 4.502 1.00 0.00 H new ATOM 665 N SER A 63 -25.078 -3.791 0.892 1.00 0.00 N ATOM 666 CA SER A 63 -23.817 -4.218 0.271 1.00 0.00 C ATOM 667 C SER A 63 -23.996 -4.387 -1.252 1.00 0.00 C ATOM 668 O SER A 63 -25.090 -4.703 -1.731 1.00 0.00 O ATOM 669 CB SER A 63 -23.344 -5.558 0.883 1.00 0.00 C ATOM 670 OG SER A 63 -22.082 -5.957 0.362 1.00 0.00 O ATOM 0 H SER A 63 -25.486 -4.493 1.509 1.00 0.00 H new ATOM 0 HA SER A 63 -23.067 -3.450 0.460 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.276 -5.460 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 63 -24.083 -6.332 0.679 1.00 0.00 H new ATOM 0 HG SER A 63 -21.813 -6.806 0.771 1.00 0.00 H new ATOM 676 N ILE A 64 -22.890 -4.199 -1.985 1.00 0.00 N ATOM 677 CA ILE A 64 -22.793 -4.463 -3.443 1.00 0.00 C ATOM 678 C ILE A 64 -23.010 -5.967 -3.768 1.00 0.00 C ATOM 679 O ILE A 64 -23.301 -6.334 -4.911 1.00 0.00 O ATOM 680 CB ILE A 64 -21.382 -4.016 -3.978 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.246 -4.723 -3.155 1.00 0.00 C ATOM 682 CG2 ILE A 64 -21.235 -2.469 -3.957 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.835 -4.410 -3.588 1.00 0.00 C ATOM 0 H ILE A 64 -22.019 -3.854 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.578 -3.888 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 64 -21.289 -4.326 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.355 -4.445 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.395 -5.801 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -20.250 -2.192 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -22.003 -2.022 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.349 -2.107 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.132 -4.950 -2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.697 -4.715 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.656 -3.339 -3.498 1.00 0.00 H new ATOM 695 N LEU A 65 -22.872 -6.812 -2.726 1.00 0.00 N ATOM 696 CA LEU A 65 -22.997 -8.279 -2.814 1.00 0.00 C ATOM 697 C LEU A 65 -24.466 -8.733 -2.697 1.00 0.00 C ATOM 698 O LEU A 65 -24.739 -9.929 -2.578 1.00 0.00 O ATOM 699 CB LEU A 65 -22.124 -8.918 -1.701 1.00 0.00 C ATOM 700 CG LEU A 65 -20.645 -8.423 -1.662 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.840 -9.108 -0.535 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.975 -8.590 -3.046 1.00 0.00 C ATOM 0 H LEU A 65 -22.666 -6.486 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.647 -8.610 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.586 -8.714 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.127 -10.000 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.653 -7.358 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.815 -8.736 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.300 -8.886 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.835 -10.186 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.944 -8.239 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.986 -9.642 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.521 -8.007 -3.787 1.00 0.00 H new ATOM 714 N ALA A 66 -25.394 -7.760 -2.739 1.00 0.00 N ATOM 715 CA ALA A 66 -26.847 -8.004 -2.758 1.00 0.00 C ATOM 716 C ALA A 66 -27.269 -8.760 -4.031 1.00 0.00 C ATOM 717 O ALA A 66 -28.104 -9.675 -3.986 1.00 0.00 O ATOM 718 CB ALA A 66 -27.581 -6.667 -2.638 1.00 0.00 C ATOM 0 H ALA A 66 -25.152 -6.769 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 66 -27.114 -8.636 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.657 -6.840 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -27.303 -6.182 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.306 -6.025 -3.475 1.00 0.00 H new ATOM 724 N GLN A 67 -26.658 -8.366 -5.159 1.00 0.00 N ATOM 725 CA GLN A 67 -26.860 -9.011 -6.478 1.00 0.00 C ATOM 726 C GLN A 67 -26.149 -10.383 -6.548 1.00 0.00 C ATOM 727 O GLN A 67 -26.385 -11.169 -7.469 1.00 0.00 O ATOM 728 CB GLN A 67 -26.326 -8.075 -7.595 1.00 0.00 C ATOM 729 CG GLN A 67 -24.803 -7.839 -7.536 1.00 0.00 C ATOM 730 CD GLN A 67 -24.304 -6.792 -8.529 1.00 0.00 C ATOM 731 OE1 GLN A 67 -23.973 -7.103 -9.675 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.234 -5.546 -8.089 1.00 0.00 N ATOM 0 H GLN A 67 -26.003 -7.585 -5.188 1.00 0.00 H new ATOM 0 HA GLN A 67 -27.927 -9.183 -6.620 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -26.581 -8.501 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -26.836 -7.114 -7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.531 -7.528 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.291 -8.782 -7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -24.517 -5.326 -7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -23.897 -4.806 -8.705 1.00 0.00 H new ATOM 741 N PHE A 68 -25.260 -10.639 -5.572 1.00 0.00 N ATOM 742 CA PHE A 68 -24.421 -11.852 -5.500 1.00 0.00 C ATOM 743 C PHE A 68 -24.850 -12.781 -4.343 1.00 0.00 C ATOM 744 O PHE A 68 -24.202 -13.807 -4.101 1.00 0.00 O ATOM 745 CB PHE A 68 -22.940 -11.425 -5.309 1.00 0.00 C ATOM 746 CG PHE A 68 -22.322 -10.666 -6.492 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.426 -11.168 -7.792 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.629 -9.466 -6.308 1.00 0.00 C ATOM 749 CE1 PHE A 68 -21.864 -10.496 -8.862 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.065 -8.796 -7.383 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.182 -9.312 -8.658 1.00 0.00 C ATOM 0 H PHE A 68 -25.100 -9.997 -4.795 1.00 0.00 H new ATOM 0 HA PHE A 68 -24.542 -12.410 -6.428 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -22.871 -10.799 -4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.343 -12.317 -5.118 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -22.953 -12.095 -7.964 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.531 -9.055 -5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -21.959 -10.898 -9.860 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.534 -7.870 -7.223 1.00 0.00 H new ATOM 0 HZ PHE A 68 -20.741 -8.791 -9.495 1.00 0.00 H new ATOM 761 N ALA A 69 -25.952 -12.421 -3.655 1.00 0.00 N ATOM 762 CA ALA A 69 -26.413 -13.103 -2.422 1.00 0.00 C ATOM 763 C ALA A 69 -26.836 -14.573 -2.677 1.00 0.00 C ATOM 764 O ALA A 69 -26.604 -15.452 -1.836 1.00 0.00 O ATOM 765 CB ALA A 69 -27.572 -12.309 -1.803 1.00 0.00 C ATOM 0 H ALA A 69 -26.552 -11.646 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.574 -13.137 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.912 -12.809 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -27.233 -11.303 -1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.395 -12.251 -2.516 1.00 0.00 H new ATOM 771 N GLY A 70 -27.461 -14.823 -3.845 1.00 0.00 N ATOM 772 CA GLY A 70 -27.928 -16.171 -4.235 1.00 0.00 C ATOM 773 C GLY A 70 -26.992 -16.865 -5.227 1.00 0.00 C ATOM 774 O GLY A 70 -27.316 -17.938 -5.746 1.00 0.00 O ATOM 0 H GLY A 70 -27.656 -14.103 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.024 -16.789 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -28.922 -16.092 -4.676 1.00 0.00 H new ATOM 778 N GLU A 71 -25.835 -16.242 -5.496 1.00 0.00 N ATOM 779 CA GLU A 71 -24.780 -16.787 -6.374 1.00 0.00 C ATOM 780 C GLU A 71 -23.692 -17.440 -5.506 1.00 0.00 C ATOM 781 O GLU A 71 -23.514 -17.047 -4.346 1.00 0.00 O ATOM 782 CB GLU A 71 -24.195 -15.631 -7.252 1.00 0.00 C ATOM 783 CG GLU A 71 -23.036 -16.011 -8.205 1.00 0.00 C ATOM 784 CD GLU A 71 -23.399 -17.092 -9.241 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.132 -16.779 -10.200 1.00 0.00 O ATOM 786 OE2 GLU A 71 -22.952 -18.255 -9.105 1.00 0.00 O ATOM 0 H GLU A 71 -25.599 -15.330 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.189 -17.547 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.005 -15.212 -7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -23.846 -14.840 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.705 -15.116 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.192 -16.362 -7.611 1.00 0.00 H new ATOM 793 N ASP A 72 -22.988 -18.445 -6.076 1.00 0.00 N ATOM 794 CA ASP A 72 -21.806 -19.074 -5.446 1.00 0.00 C ATOM 795 C ASP A 72 -20.780 -17.974 -5.085 1.00 0.00 C ATOM 796 O ASP A 72 -20.389 -17.227 -5.976 1.00 0.00 O ATOM 797 CB ASP A 72 -21.171 -20.107 -6.422 1.00 0.00 C ATOM 798 CG ASP A 72 -19.913 -20.809 -5.865 1.00 0.00 C ATOM 799 OD1 ASP A 72 -18.800 -20.244 -5.962 1.00 0.00 O ATOM 800 OD2 ASP A 72 -20.033 -21.934 -5.330 1.00 0.00 O ATOM 0 H ASP A 72 -23.224 -18.842 -6.985 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.108 -19.597 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -21.916 -20.863 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.910 -19.600 -7.351 1.00 0.00 H new ATOM 805 N PRO A 73 -20.326 -17.869 -3.787 1.00 0.00 N ATOM 806 CA PRO A 73 -19.493 -16.727 -3.303 1.00 0.00 C ATOM 807 C PRO A 73 -18.171 -16.530 -4.092 1.00 0.00 C ATOM 808 O PRO A 73 -17.705 -15.398 -4.238 1.00 0.00 O ATOM 809 CB PRO A 73 -19.224 -17.080 -1.808 1.00 0.00 C ATOM 810 CG PRO A 73 -19.472 -18.557 -1.713 1.00 0.00 C ATOM 811 CD PRO A 73 -20.590 -18.839 -2.687 1.00 0.00 C ATOM 0 HA PRO A 73 -20.007 -15.776 -3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.203 -16.831 -1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.887 -16.524 -1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.576 -19.123 -1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.752 -18.844 -0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.566 -19.869 -3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.569 -18.681 -2.235 1.00 0.00 H new ATOM 819 N VAL A 74 -17.594 -17.633 -4.609 1.00 0.00 N ATOM 820 CA VAL A 74 -16.331 -17.593 -5.377 1.00 0.00 C ATOM 821 C VAL A 74 -16.582 -17.019 -6.785 1.00 0.00 C ATOM 822 O VAL A 74 -15.880 -16.106 -7.221 1.00 0.00 O ATOM 823 CB VAL A 74 -15.671 -19.018 -5.469 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.353 -18.981 -6.283 1.00 0.00 C ATOM 825 CG2 VAL A 74 -15.443 -19.611 -4.051 1.00 0.00 C ATOM 0 H VAL A 74 -17.985 -18.570 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.635 -16.940 -4.850 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.361 -19.673 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.924 -19.982 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.560 -18.631 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.647 -18.304 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -14.986 -20.597 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.784 -18.954 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.399 -19.699 -3.535 1.00 0.00 H new ATOM 835 N VAL A 75 -17.621 -17.552 -7.460 1.00 0.00 N ATOM 836 CA VAL A 75 -18.022 -17.119 -8.829 1.00 0.00 C ATOM 837 C VAL A 75 -18.480 -15.646 -8.819 1.00 0.00 C ATOM 838 O VAL A 75 -18.188 -14.869 -9.744 1.00 0.00 O ATOM 839 CB VAL A 75 -19.173 -18.027 -9.404 1.00 0.00 C ATOM 840 CG1 VAL A 75 -19.580 -17.600 -10.844 1.00 0.00 C ATOM 841 CG2 VAL A 75 -18.766 -19.517 -9.355 1.00 0.00 C ATOM 0 H VAL A 75 -18.209 -18.293 -7.079 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.149 -17.220 -9.473 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.050 -17.892 -8.771 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -20.376 -18.251 -11.205 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -19.932 -16.568 -10.832 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -18.717 -17.681 -11.505 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.574 -20.128 -9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -17.866 -19.668 -9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -18.570 -19.807 -8.323 1.00 0.00 H new ATOM 851 N ALA A 76 -19.179 -15.301 -7.737 1.00 0.00 N ATOM 852 CA ALA A 76 -19.689 -13.955 -7.453 1.00 0.00 C ATOM 853 C ALA A 76 -18.539 -12.957 -7.290 1.00 0.00 C ATOM 854 O ALA A 76 -18.608 -11.825 -7.768 1.00 0.00 O ATOM 855 CB ALA A 76 -20.535 -13.995 -6.170 1.00 0.00 C ATOM 0 H ALA A 76 -19.415 -15.973 -7.007 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.304 -13.628 -8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -20.916 -12.997 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.371 -14.681 -6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -19.918 -14.335 -5.338 1.00 0.00 H new ATOM 861 N LEU A 77 -17.488 -13.417 -6.605 1.00 0.00 N ATOM 862 CA LEU A 77 -16.282 -12.630 -6.337 1.00 0.00 C ATOM 863 C LEU A 77 -15.450 -12.433 -7.626 1.00 0.00 C ATOM 864 O LEU A 77 -14.886 -11.359 -7.834 1.00 0.00 O ATOM 865 CB LEU A 77 -15.463 -13.323 -5.224 1.00 0.00 C ATOM 866 CG LEU A 77 -14.147 -12.625 -4.771 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.371 -11.156 -4.344 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.488 -13.437 -3.642 1.00 0.00 C ATOM 0 H LEU A 77 -17.451 -14.359 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.565 -11.635 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.105 -13.433 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.213 -14.328 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.476 -12.594 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.421 -10.717 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.778 -10.591 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.072 -11.122 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.568 -12.944 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.171 -13.503 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.258 -14.440 -4.002 1.00 0.00 H new ATOM 880 N GLU A 78 -15.406 -13.468 -8.493 1.00 0.00 N ATOM 881 CA GLU A 78 -14.748 -13.380 -9.817 1.00 0.00 C ATOM 882 C GLU A 78 -15.426 -12.296 -10.673 1.00 0.00 C ATOM 883 O GLU A 78 -14.751 -11.437 -11.252 1.00 0.00 O ATOM 884 CB GLU A 78 -14.791 -14.746 -10.552 1.00 0.00 C ATOM 885 CG GLU A 78 -13.988 -15.866 -9.875 1.00 0.00 C ATOM 886 CD GLU A 78 -14.055 -17.201 -10.632 1.00 0.00 C ATOM 887 OE1 GLU A 78 -14.997 -17.982 -10.393 1.00 0.00 O ATOM 888 OE2 GLU A 78 -13.176 -17.461 -11.484 1.00 0.00 O ATOM 0 H GLU A 78 -15.821 -14.379 -8.299 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.703 -13.111 -9.661 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.830 -15.064 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.414 -14.609 -11.566 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.946 -15.556 -9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.362 -16.011 -8.862 1.00 0.00 H new ATOM 895 N ALA A 79 -16.768 -12.337 -10.695 1.00 0.00 N ATOM 896 CA ALA A 79 -17.610 -11.351 -11.404 1.00 0.00 C ATOM 897 C ALA A 79 -17.470 -9.952 -10.777 1.00 0.00 C ATOM 898 O ALA A 79 -17.554 -8.938 -11.470 1.00 0.00 O ATOM 899 CB ALA A 79 -19.079 -11.810 -11.382 1.00 0.00 C ATOM 0 H ALA A 79 -17.307 -13.060 -10.218 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.273 -11.286 -12.439 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.696 -11.080 -11.906 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.165 -12.778 -11.875 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.418 -11.897 -10.350 1.00 0.00 H new ATOM 905 N ALA A 80 -17.243 -9.926 -9.452 1.00 0.00 N ATOM 906 CA ALA A 80 -17.055 -8.683 -8.684 1.00 0.00 C ATOM 907 C ALA A 80 -15.700 -8.020 -8.994 1.00 0.00 C ATOM 908 O ALA A 80 -15.572 -6.806 -8.882 1.00 0.00 O ATOM 909 CB ALA A 80 -17.193 -8.957 -7.181 1.00 0.00 C ATOM 0 H ALA A 80 -17.185 -10.770 -8.882 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.836 -7.985 -8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.051 -8.029 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.186 -9.355 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.440 -9.682 -6.873 1.00 0.00 H new ATOM 915 N LEU A 81 -14.688 -8.823 -9.369 1.00 0.00 N ATOM 916 CA LEU A 81 -13.382 -8.291 -9.818 1.00 0.00 C ATOM 917 C LEU A 81 -13.479 -7.722 -11.246 1.00 0.00 C ATOM 918 O LEU A 81 -12.735 -6.802 -11.603 1.00 0.00 O ATOM 919 CB LEU A 81 -12.244 -9.363 -9.709 1.00 0.00 C ATOM 920 CG LEU A 81 -11.421 -9.357 -8.382 1.00 0.00 C ATOM 921 CD1 LEU A 81 -10.738 -7.992 -8.153 1.00 0.00 C ATOM 922 CD2 LEU A 81 -12.285 -9.762 -7.173 1.00 0.00 C ATOM 0 H LEU A 81 -14.746 -9.841 -9.371 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.116 -7.474 -9.147 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.689 -10.350 -9.832 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.555 -9.218 -10.541 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.637 -10.107 -8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.173 -8.020 -7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.062 -7.780 -8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.496 -7.211 -8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.676 -9.746 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.113 -9.061 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.679 -10.767 -7.327 1.00 0.00 H new ATOM 934 N GLN A 82 -14.404 -8.270 -12.040 1.00 0.00 N ATOM 935 CA GLN A 82 -14.619 -7.844 -13.431 1.00 0.00 C ATOM 936 C GLN A 82 -15.424 -6.536 -13.477 1.00 0.00 C ATOM 937 O GLN A 82 -15.124 -5.638 -14.273 1.00 0.00 O ATOM 938 CB GLN A 82 -15.339 -8.966 -14.215 1.00 0.00 C ATOM 939 CG GLN A 82 -14.571 -10.306 -14.214 1.00 0.00 C ATOM 940 CD GLN A 82 -15.328 -11.468 -14.862 1.00 0.00 C ATOM 941 OE1 GLN A 82 -16.086 -11.289 -15.817 1.00 0.00 O ATOM 942 NE2 GLN A 82 -15.142 -12.669 -14.327 1.00 0.00 N ATOM 0 H GLN A 82 -15.025 -9.021 -11.739 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.653 -7.656 -13.900 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -16.328 -9.122 -13.785 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.487 -8.642 -15.245 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -13.624 -10.169 -14.736 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -14.332 -10.573 -13.185 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -14.507 -12.783 -13.537 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -15.634 -13.478 -14.706 1.00 0.00 H new ATOM 951 N PHE A 83 -16.450 -6.436 -12.611 1.00 0.00 N ATOM 952 CA PHE A 83 -17.300 -5.240 -12.523 1.00 0.00 C ATOM 953 C PHE A 83 -16.571 -4.161 -11.700 1.00 0.00 C ATOM 954 O PHE A 83 -16.185 -4.404 -10.547 1.00 0.00 O ATOM 955 CB PHE A 83 -18.679 -5.597 -11.917 1.00 0.00 C ATOM 956 CG PHE A 83 -19.715 -4.470 -11.959 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.950 -3.757 -13.137 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.476 -4.143 -10.835 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.904 -2.758 -13.186 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.428 -3.141 -10.887 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.643 -2.451 -12.063 1.00 0.00 C ATOM 0 H PHE A 83 -16.709 -7.177 -11.959 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.485 -4.844 -13.521 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.081 -6.460 -12.449 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.536 -5.900 -10.880 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.378 -3.990 -14.023 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.319 -4.680 -9.911 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.071 -2.217 -14.106 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.004 -2.898 -10.006 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.389 -1.671 -12.104 1.00 0.00 H new ATOM 971 N GLU A 84 -16.391 -2.978 -12.316 1.00 0.00 N ATOM 972 CA GLU A 84 -15.524 -1.903 -11.801 1.00 0.00 C ATOM 973 C GLU A 84 -15.949 -1.397 -10.407 1.00 0.00 C ATOM 974 O GLU A 84 -15.100 -1.199 -9.538 1.00 0.00 O ATOM 975 CB GLU A 84 -15.460 -0.737 -12.815 1.00 0.00 C ATOM 976 CG GLU A 84 -16.826 -0.124 -13.207 1.00 0.00 C ATOM 977 CD GLU A 84 -16.678 1.053 -14.182 1.00 0.00 C ATOM 978 OE1 GLU A 84 -16.551 0.815 -15.404 1.00 0.00 O ATOM 979 OE2 GLU A 84 -16.655 2.222 -13.730 1.00 0.00 O ATOM 0 H GLU A 84 -16.849 -2.739 -13.196 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.529 -2.330 -11.678 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.833 0.051 -12.398 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.966 -1.091 -13.720 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.450 -0.893 -13.662 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.341 0.214 -12.308 1.00 0.00 H new ATOM 986 N ASP A 85 -17.262 -1.246 -10.195 1.00 0.00 N ATOM 987 CA ASP A 85 -17.813 -0.678 -8.948 1.00 0.00 C ATOM 988 C ASP A 85 -17.586 -1.614 -7.753 1.00 0.00 C ATOM 989 O ASP A 85 -17.309 -1.165 -6.632 1.00 0.00 O ATOM 990 CB ASP A 85 -19.321 -0.370 -9.114 1.00 0.00 C ATOM 991 CG ASP A 85 -19.620 0.660 -10.215 1.00 0.00 C ATOM 992 OD1 ASP A 85 -18.951 1.714 -10.256 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.546 0.441 -11.021 1.00 0.00 O ATOM 0 H ASP A 85 -17.973 -1.511 -10.876 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.283 0.253 -8.746 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.850 -1.296 -9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.715 -0.002 -8.167 1.00 0.00 H new ATOM 998 N THR A 86 -17.679 -2.922 -8.016 1.00 0.00 N ATOM 999 CA THR A 86 -17.591 -3.956 -6.985 1.00 0.00 C ATOM 1000 C THR A 86 -16.130 -4.283 -6.613 1.00 0.00 C ATOM 1001 O THR A 86 -15.849 -4.616 -5.449 1.00 0.00 O ATOM 1002 CB THR A 86 -18.371 -5.242 -7.428 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.058 -5.563 -8.781 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.896 -5.077 -7.306 1.00 0.00 C ATOM 0 H THR A 86 -17.818 -3.293 -8.956 1.00 0.00 H new ATOM 0 HA THR A 86 -18.061 -3.563 -6.084 1.00 0.00 H new ATOM 0 HB THR A 86 -18.058 -6.043 -6.758 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.161 -5.956 -8.825 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.388 -5.996 -7.625 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.157 -4.867 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.224 -4.251 -7.937 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.183 -4.144 -7.585 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.754 -4.489 -7.352 1.00 0.00 C ATOM 1014 C ARG A 87 -13.034 -3.435 -6.494 1.00 0.00 C ATOM 1015 O ARG A 87 -11.922 -3.683 -6.006 1.00 0.00 O ATOM 1016 CB ARG A 87 -12.988 -4.807 -8.684 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.941 -3.714 -9.786 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.921 -2.584 -9.539 1.00 0.00 C ATOM 1019 NE ARG A 87 -11.717 -1.744 -10.749 1.00 0.00 N ATOM 1020 CZ ARG A 87 -12.025 -0.445 -10.865 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -12.646 0.195 -9.893 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -11.717 0.208 -11.970 1.00 0.00 N ATOM 0 H ARG A 87 -15.382 -3.800 -8.524 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.749 -5.413 -6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.960 -5.061 -8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.436 -5.700 -9.120 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -12.710 -4.190 -10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -13.933 -3.273 -9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.266 -1.957 -8.717 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.968 -3.016 -9.233 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.305 -2.198 -11.565 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.899 -0.299 -9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.873 1.184 -9.997 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.245 -0.276 -12.734 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.951 1.197 -12.060 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.680 -2.267 -6.308 1.00 0.00 N ATOM 1037 CA GLU A 88 -13.171 -1.191 -5.435 1.00 0.00 C ATOM 1038 C GLU A 88 -13.195 -1.640 -3.965 1.00 0.00 C ATOM 1039 O GLU A 88 -12.302 -1.302 -3.184 1.00 0.00 O ATOM 1040 CB GLU A 88 -14.010 0.097 -5.629 1.00 0.00 C ATOM 1041 CG GLU A 88 -14.130 0.529 -7.098 1.00 0.00 C ATOM 1042 CD GLU A 88 -14.817 1.886 -7.291 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -14.129 2.927 -7.238 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -16.050 1.925 -7.484 1.00 0.00 O ATOM 0 H GLU A 88 -14.568 -2.043 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.139 -0.974 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.008 -0.063 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.558 0.906 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.133 0.572 -7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.687 -0.231 -7.646 1.00 0.00 H new ATOM 1051 N SER A 89 -14.227 -2.422 -3.609 1.00 0.00 N ATOM 1052 CA SER A 89 -14.372 -2.995 -2.262 1.00 0.00 C ATOM 1053 C SER A 89 -13.441 -4.213 -2.092 1.00 0.00 C ATOM 1054 O SER A 89 -12.940 -4.469 -0.991 1.00 0.00 O ATOM 1055 CB SER A 89 -15.846 -3.380 -2.009 1.00 0.00 C ATOM 1056 OG SER A 89 -16.076 -3.798 -0.669 1.00 0.00 O ATOM 0 H SER A 89 -14.983 -2.674 -4.246 1.00 0.00 H new ATOM 0 HA SER A 89 -14.082 -2.248 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.485 -2.527 -2.235 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.131 -4.181 -2.691 1.00 0.00 H new ATOM 0 HG SER A 89 -17.021 -4.030 -0.556 1.00 0.00 H new ATOM 1062 N MET A 90 -13.170 -4.924 -3.212 1.00 0.00 N ATOM 1063 CA MET A 90 -12.335 -6.160 -3.224 1.00 0.00 C ATOM 1064 C MET A 90 -10.852 -5.857 -2.977 1.00 0.00 C ATOM 1065 O MET A 90 -10.050 -6.773 -2.760 1.00 0.00 O ATOM 1066 CB MET A 90 -12.538 -6.935 -4.545 1.00 0.00 C ATOM 1067 CG MET A 90 -14.000 -7.297 -4.792 1.00 0.00 C ATOM 1068 SD MET A 90 -14.760 -8.005 -3.315 1.00 0.00 S ATOM 1069 CE MET A 90 -16.494 -7.836 -3.690 1.00 0.00 C ATOM 0 H MET A 90 -13.521 -4.662 -4.133 1.00 0.00 H new ATOM 0 HA MET A 90 -12.667 -6.791 -2.399 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.171 -6.333 -5.376 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.940 -7.846 -4.523 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.551 -6.407 -5.096 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.066 -8.009 -5.615 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.071 -7.871 -2.766 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.667 -6.883 -4.190 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.806 -8.650 -4.344 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.509 -4.558 -2.995 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.185 -4.053 -2.602 1.00 0.00 C ATOM 1081 C HIS A 91 -8.896 -4.376 -1.113 1.00 0.00 C ATOM 1082 O HIS A 91 -7.745 -4.562 -0.721 1.00 0.00 O ATOM 1083 CB HIS A 91 -9.135 -2.522 -2.849 1.00 0.00 C ATOM 1084 CG HIS A 91 -7.756 -1.919 -2.783 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -7.058 -1.760 -1.605 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -6.941 -1.462 -3.761 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -5.877 -1.241 -1.862 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -5.782 -1.049 -3.161 1.00 0.00 N ATOM 0 H HIS A 91 -11.152 -3.822 -3.286 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.418 -4.542 -3.202 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.562 -2.312 -3.829 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.769 -2.028 -2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.163 -1.429 -4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.115 -1.011 -1.132 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.974 -0.655 -3.643 1.00 0.00 H new ATOM 1097 N ALA A 92 -9.966 -4.421 -0.296 1.00 0.00 N ATOM 1098 CA ALA A 92 -9.883 -4.775 1.139 1.00 0.00 C ATOM 1099 C ALA A 92 -9.875 -6.306 1.344 1.00 0.00 C ATOM 1100 O ALA A 92 -9.181 -6.810 2.232 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.055 -4.140 1.912 1.00 0.00 C ATOM 0 H ALA A 92 -10.914 -4.213 -0.610 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.943 -4.381 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.983 -4.408 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.014 -3.056 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.999 -4.507 1.508 1.00 0.00 H new ATOM 1107 N PHE A 93 -10.637 -7.035 0.499 1.00 0.00 N ATOM 1108 CA PHE A 93 -10.844 -8.499 0.646 1.00 0.00 C ATOM 1109 C PHE A 93 -9.602 -9.298 0.209 1.00 0.00 C ATOM 1110 O PHE A 93 -9.437 -10.454 0.621 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.082 -8.966 -0.166 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.418 -8.451 0.363 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -13.952 -7.248 -0.084 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.145 -9.174 1.305 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.160 -6.781 0.385 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.354 -8.701 1.773 1.00 0.00 C ATOM 1117 CZ PHE A 93 -15.860 -7.507 1.313 1.00 0.00 C ATOM 0 H PHE A 93 -11.125 -6.631 -0.301 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.017 -8.693 1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.966 -8.641 -1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.105 -10.056 -0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.408 -6.667 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.759 -10.113 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.555 -5.844 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -15.906 -9.272 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 93 -16.807 -7.143 1.683 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.753 -8.689 -0.652 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.498 -9.309 -1.094 1.00 0.00 C ATOM 1129 C CYS A 94 -6.488 -9.319 0.067 1.00 0.00 C ATOM 1130 O CYS A 94 -5.869 -8.296 0.382 1.00 0.00 O ATOM 1131 CB CYS A 94 -6.935 -8.591 -2.346 1.00 0.00 C ATOM 1132 SG CYS A 94 -6.609 -6.825 -2.145 1.00 0.00 S ATOM 0 H CYS A 94 -8.922 -7.766 -1.051 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.692 -10.342 -1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -6.008 -9.083 -2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.640 -8.722 -3.167 1.00 0.00 H new ATOM 0 HG CYS A 94 -7.402 -6.338 -1.238 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.382 -10.484 0.732 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.515 -10.684 1.906 1.00 0.00 C ATOM 1140 C VAL A 95 -4.016 -10.651 1.517 1.00 0.00 C ATOM 1141 O VAL A 95 -3.168 -10.235 2.316 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.870 -12.032 2.647 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -7.337 -12.012 3.161 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -5.621 -13.264 1.738 1.00 0.00 C ATOM 0 H VAL A 95 -6.901 -11.321 0.466 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.698 -9.857 2.593 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.207 -12.118 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.558 -12.951 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.467 -11.184 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.016 -11.886 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.876 -14.174 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.241 -13.188 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.571 -13.296 1.449 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.717 -11.075 0.275 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.350 -11.094 -0.245 1.00 0.00 C ATOM 1156 C GLY A 96 -2.307 -11.456 -1.718 1.00 0.00 C ATOM 1157 O GLY A 96 -3.352 -11.673 -2.344 1.00 0.00 O ATOM 0 H GLY A 96 -4.416 -11.411 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.893 -10.115 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.756 -11.811 0.322 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.090 -11.496 -2.279 1.00 0.00 N ATOM 1162 CA GLN A 97 -0.850 -11.906 -3.668 1.00 0.00 C ATOM 1163 C GLN A 97 -0.589 -13.413 -3.707 1.00 0.00 C ATOM 1164 O GLN A 97 0.148 -13.931 -2.871 1.00 0.00 O ATOM 1165 CB GLN A 97 0.380 -11.158 -4.256 1.00 0.00 C ATOM 1166 CG GLN A 97 0.650 -11.443 -5.750 1.00 0.00 C ATOM 1167 CD GLN A 97 2.018 -10.953 -6.219 1.00 0.00 C ATOM 1168 OE1 GLN A 97 2.991 -11.695 -6.186 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.108 -9.700 -6.634 1.00 0.00 N ATOM 0 H GLN A 97 -0.239 -11.243 -1.777 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.728 -11.659 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.234 -10.086 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.265 -11.432 -3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.575 -12.516 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.125 -10.966 -6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.278 -9.107 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.007 -9.327 -6.938 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.186 -14.105 -4.672 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.932 -15.525 -4.892 1.00 0.00 C ATOM 1180 C TYR A 98 0.349 -15.710 -5.723 1.00 0.00 C ATOM 1181 O TYR A 98 0.633 -14.918 -6.628 1.00 0.00 O ATOM 1182 CB TYR A 98 -2.135 -16.187 -5.602 1.00 0.00 C ATOM 1183 CG TYR A 98 -2.002 -17.705 -5.764 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.977 -18.543 -4.646 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.897 -18.305 -7.021 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.849 -19.910 -4.778 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.774 -19.670 -7.150 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.749 -20.469 -6.028 1.00 0.00 C ATOM 1189 OH TYR A 98 -1.620 -21.833 -6.163 1.00 0.00 O ATOM 0 H TYR A 98 -1.858 -13.699 -5.323 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.796 -16.009 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.042 -15.970 -5.038 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.257 -15.736 -6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.060 -18.112 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.913 -17.687 -7.907 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.827 -20.539 -3.900 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.697 -20.115 -8.131 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.024 -22.118 -7.009 1.00 0.00 H new ATOM 1199 N LEU A 99 1.110 -16.755 -5.390 1.00 0.00 N ATOM 1200 CA LEU A 99 2.254 -17.217 -6.175 1.00 0.00 C ATOM 1201 C LEU A 99 2.146 -18.748 -6.230 1.00 0.00 C ATOM 1202 O LEU A 99 2.253 -19.423 -5.196 1.00 0.00 O ATOM 1203 CB LEU A 99 3.601 -16.718 -5.544 1.00 0.00 C ATOM 1204 CG LEU A 99 4.838 -16.606 -6.518 1.00 0.00 C ATOM 1205 CD1 LEU A 99 6.014 -15.874 -5.843 1.00 0.00 C ATOM 1206 CD2 LEU A 99 5.306 -17.980 -7.063 1.00 0.00 C ATOM 0 H LEU A 99 0.944 -17.313 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 99 2.247 -16.811 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.427 -15.738 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.867 -17.393 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 99 4.497 -16.021 -7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.851 -15.812 -6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.702 -14.869 -5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.321 -16.423 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.159 -17.837 -7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.597 -18.621 -6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.492 -18.449 -7.615 1.00 0.00 H new ATOM 1218 N GLU A 100 1.888 -19.280 -7.438 1.00 0.00 N ATOM 1219 CA GLU A 100 1.691 -20.722 -7.668 1.00 0.00 C ATOM 1220 C GLU A 100 3.049 -21.468 -7.552 1.00 0.00 C ATOM 1221 O GLU A 100 4.073 -20.896 -7.939 1.00 0.00 O ATOM 1222 CB GLU A 100 1.040 -20.927 -9.074 1.00 0.00 C ATOM 1223 CG GLU A 100 0.382 -22.297 -9.298 1.00 0.00 C ATOM 1224 CD GLU A 100 -0.285 -22.445 -10.675 1.00 0.00 C ATOM 1225 OE1 GLU A 100 -1.348 -21.824 -10.891 1.00 0.00 O ATOM 1226 OE2 GLU A 100 0.235 -23.190 -11.533 1.00 0.00 O ATOM 0 H GLU A 100 1.810 -18.719 -8.286 1.00 0.00 H new ATOM 0 HA GLU A 100 1.023 -21.137 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.288 -20.152 -9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.806 -20.781 -9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.136 -23.075 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.366 -22.462 -8.522 1.00 0.00 H new ATOM 1233 N PRO A 101 3.087 -22.714 -6.959 1.00 0.00 N ATOM 1234 CA PRO A 101 4.319 -23.543 -6.863 1.00 0.00 C ATOM 1235 C PRO A 101 5.181 -23.552 -8.157 1.00 0.00 C ATOM 1236 O PRO A 101 6.316 -23.055 -8.170 1.00 0.00 O ATOM 1237 CB PRO A 101 3.756 -24.950 -6.560 1.00 0.00 C ATOM 1238 CG PRO A 101 2.505 -24.697 -5.779 1.00 0.00 C ATOM 1239 CD PRO A 101 1.948 -23.369 -6.260 1.00 0.00 C ATOM 0 HA PRO A 101 5.005 -23.157 -6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.546 -25.499 -7.478 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.467 -25.546 -5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.783 -25.498 -5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.717 -24.663 -4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.102 -23.514 -6.931 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.593 -22.763 -5.426 1.00 0.00 H new ATOM 1247 N ASP A 102 4.572 -24.039 -9.256 1.00 0.00 N ATOM 1248 CA ASP A 102 5.265 -24.279 -10.547 1.00 0.00 C ATOM 1249 C ASP A 102 5.403 -22.981 -11.396 1.00 0.00 C ATOM 1250 O ASP A 102 6.113 -22.973 -12.413 1.00 0.00 O ATOM 1251 CB ASP A 102 4.511 -25.400 -11.317 1.00 0.00 C ATOM 1252 CG ASP A 102 5.202 -25.854 -12.617 1.00 0.00 C ATOM 1253 OD1 ASP A 102 6.374 -26.278 -12.556 1.00 0.00 O ATOM 1254 OD2 ASP A 102 4.577 -25.800 -13.697 1.00 0.00 O ATOM 0 H ASP A 102 3.581 -24.280 -9.278 1.00 0.00 H new ATOM 0 HA ASP A 102 6.286 -24.603 -10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.397 -26.262 -10.660 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.508 -25.048 -11.557 1.00 0.00 H new ATOM 1259 N GLN A 103 4.742 -21.881 -10.944 1.00 0.00 N ATOM 1260 CA GLN A 103 4.848 -20.529 -11.573 1.00 0.00 C ATOM 1261 C GLN A 103 6.326 -20.078 -11.667 1.00 0.00 C ATOM 1262 O GLN A 103 6.736 -19.424 -12.635 1.00 0.00 O ATOM 1263 CB GLN A 103 4.040 -19.492 -10.735 1.00 0.00 C ATOM 1264 CG GLN A 103 4.080 -18.027 -11.239 1.00 0.00 C ATOM 1265 CD GLN A 103 3.291 -17.782 -12.525 1.00 0.00 C ATOM 1266 OE1 GLN A 103 2.287 -18.444 -12.797 1.00 0.00 O ATOM 1267 NE2 GLN A 103 3.720 -16.808 -13.312 1.00 0.00 N ATOM 0 H GLN A 103 4.121 -21.903 -10.135 1.00 0.00 H new ATOM 0 HA GLN A 103 4.437 -20.588 -12.581 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.999 -19.815 -10.701 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.414 -19.513 -9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.689 -17.375 -10.457 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.119 -17.740 -11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.554 -16.278 -13.059 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.216 -16.587 -14.171 1.00 0.00 H new