USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -122:sc= -2.35 (180deg=-5.29!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 61:sc= 1.2 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0452) USER MOD Single : A 41 ASN : amide:sc= -0.22 K(o=-0.22,f=-0.92) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 71:sc= 0.072 USER MOD Single : A 44 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.053) USER MOD Single : A 45 MET CE :methyl 167:sc= -9.54! (180deg=-11.3!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 130:sc= -2.32! USER MOD Single : A 53 THR OG1 : rot -84:sc= 0.984 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -5.25! C(o=-6!,f=-5.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.387 K(o=-0.39,f=-1.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 10 -7.920 -9.342 -3.733 1.00 0.00 N ATOM 91 CA LEU A 10 -7.012 -8.363 -3.161 1.00 0.00 C ATOM 92 C LEU A 10 -6.518 -7.427 -4.265 1.00 0.00 C ATOM 93 O LEU A 10 -6.660 -6.209 -4.161 1.00 0.00 O ATOM 94 CB LEU A 10 -5.885 -9.060 -2.397 1.00 0.00 C ATOM 95 CG LEU A 10 -4.895 -8.142 -1.676 1.00 0.00 C ATOM 96 CD1 LEU A 10 -5.408 -7.770 -0.283 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.501 -8.771 -1.624 1.00 0.00 C ATOM 0 HA LEU A 10 -7.530 -7.746 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.331 -9.729 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.329 -9.682 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.809 -7.217 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.686 -7.117 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.363 -7.252 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.541 -8.675 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.817 -8.098 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.550 -9.720 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.142 -8.944 -2.638 1.00 0.00 H new ATOM 109 N GLU A 11 -5.948 -8.030 -5.298 1.00 0.00 N ATOM 110 CA GLU A 11 -5.433 -7.265 -6.421 1.00 0.00 C ATOM 111 C GLU A 11 -6.453 -6.212 -6.858 1.00 0.00 C ATOM 112 O GLU A 11 -6.156 -5.018 -6.859 1.00 0.00 O ATOM 113 CB GLU A 11 -5.060 -8.184 -7.586 1.00 0.00 C ATOM 114 CG GLU A 11 -4.372 -7.400 -8.705 1.00 0.00 C ATOM 115 CD GLU A 11 -3.704 -8.344 -9.706 1.00 0.00 C ATOM 116 OE1 GLU A 11 -3.011 -9.272 -9.235 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.901 -8.117 -10.919 1.00 0.00 O ATOM 0 H GLU A 11 -5.831 -9.040 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.526 -6.753 -6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.399 -8.975 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.957 -8.667 -7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.103 -6.777 -9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.626 -6.730 -8.278 1.00 0.00 H new ATOM 124 N GLU A 12 -7.633 -6.692 -7.221 1.00 0.00 N ATOM 125 CA GLU A 12 -8.698 -5.807 -7.659 1.00 0.00 C ATOM 126 C GLU A 12 -8.847 -4.633 -6.689 1.00 0.00 C ATOM 127 O GLU A 12 -8.793 -3.474 -7.098 1.00 0.00 O ATOM 128 CB GLU A 12 -10.018 -6.567 -7.806 1.00 0.00 C ATOM 129 CG GLU A 12 -10.508 -6.540 -9.255 1.00 0.00 C ATOM 130 CD GLU A 12 -11.753 -7.413 -9.429 1.00 0.00 C ATOM 131 OE1 GLU A 12 -11.661 -8.609 -9.078 1.00 0.00 O ATOM 132 OE2 GLU A 12 -12.768 -6.864 -9.910 1.00 0.00 O ATOM 0 H GLU A 12 -7.875 -7.683 -7.221 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.433 -5.411 -8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.885 -7.599 -7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.772 -6.123 -7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.735 -5.515 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.717 -6.892 -9.917 1.00 0.00 H new ATOM 139 N GLU A 13 -9.031 -4.974 -5.422 1.00 0.00 N ATOM 140 CA GLU A 13 -9.188 -3.963 -4.390 1.00 0.00 C ATOM 141 C GLU A 13 -7.989 -3.014 -4.391 1.00 0.00 C ATOM 142 O GLU A 13 -8.156 -1.796 -4.343 1.00 0.00 O ATOM 143 CB GLU A 13 -9.376 -4.608 -3.015 1.00 0.00 C ATOM 144 CG GLU A 13 -8.654 -3.807 -1.930 1.00 0.00 C ATOM 145 CD GLU A 13 -9.175 -4.173 -0.539 1.00 0.00 C ATOM 146 OE1 GLU A 13 -9.381 -5.385 -0.312 1.00 0.00 O ATOM 147 OE2 GLU A 13 -9.356 -3.233 0.265 1.00 0.00 O ATOM 0 H GLU A 13 -9.075 -5.936 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.085 -3.384 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.439 -4.669 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.994 -5.629 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.583 -4.000 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.795 -2.741 -2.106 1.00 0.00 H new ATOM 154 N LEU A 14 -6.805 -3.607 -4.445 1.00 0.00 N ATOM 155 CA LEU A 14 -5.578 -2.829 -4.452 1.00 0.00 C ATOM 156 C LEU A 14 -5.664 -1.759 -5.543 1.00 0.00 C ATOM 157 O LEU A 14 -5.285 -0.610 -5.321 1.00 0.00 O ATOM 158 CB LEU A 14 -4.362 -3.747 -4.587 1.00 0.00 C ATOM 159 CG LEU A 14 -4.015 -4.586 -3.355 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.056 -5.721 -3.717 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.464 -3.707 -2.230 1.00 0.00 C ATOM 0 H LEU A 14 -6.670 -4.617 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.452 -2.309 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.533 -4.422 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.496 -3.135 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.932 -5.045 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.826 -6.302 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.522 -6.368 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.136 -5.303 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.226 -4.328 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.562 -3.200 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.212 -2.966 -1.948 1.00 0.00 H new ATOM 173 N LEU A 15 -6.165 -2.174 -6.697 1.00 0.00 N ATOM 174 CA LEU A 15 -6.306 -1.266 -7.822 1.00 0.00 C ATOM 175 C LEU A 15 -7.180 -0.080 -7.409 1.00 0.00 C ATOM 176 O LEU A 15 -6.728 1.064 -7.424 1.00 0.00 O ATOM 177 CB LEU A 15 -6.824 -2.013 -9.052 1.00 0.00 C ATOM 178 CG LEU A 15 -5.903 -3.095 -9.618 1.00 0.00 C ATOM 179 CD1 LEU A 15 -6.702 -4.326 -10.050 1.00 0.00 C ATOM 180 CD2 LEU A 15 -5.042 -2.542 -10.756 1.00 0.00 C ATOM 0 H LEU A 15 -6.479 -3.128 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.335 -0.862 -8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.779 -2.473 -8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.021 -1.284 -9.838 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.225 -3.414 -8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.022 -5.079 -10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.233 -4.735 -9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.420 -4.042 -10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.396 -3.332 -11.141 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.687 -2.178 -11.556 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.429 -1.722 -10.383 1.00 0.00 H new ATOM 192 N ARG A 16 -8.416 -0.395 -7.049 1.00 0.00 N ATOM 193 CA ARG A 16 -9.357 0.631 -6.632 1.00 0.00 C ATOM 194 C ARG A 16 -8.652 1.681 -5.772 1.00 0.00 C ATOM 195 O ARG A 16 -8.894 2.878 -5.924 1.00 0.00 O ATOM 196 CB ARG A 16 -10.515 0.025 -5.837 1.00 0.00 C ATOM 197 CG ARG A 16 -11.669 -0.368 -6.762 1.00 0.00 C ATOM 198 CD ARG A 16 -11.249 -1.484 -7.720 1.00 0.00 C ATOM 199 NE ARG A 16 -10.691 -0.903 -8.961 1.00 0.00 N ATOM 200 CZ ARG A 16 -10.342 -1.622 -10.037 1.00 0.00 C ATOM 201 NH1 ARG A 16 -10.493 -2.954 -10.030 1.00 0.00 N ATOM 202 NH2 ARG A 16 -9.844 -1.010 -11.119 1.00 0.00 N ATOM 0 H ARG A 16 -8.787 -1.345 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.755 1.101 -7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.167 -0.852 -5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.867 0.743 -5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.521 -0.697 -6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.995 0.502 -7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.507 -2.124 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.107 -2.113 -7.957 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.564 0.108 -9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.873 -3.420 -9.206 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.228 -3.502 -10.849 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.730 0.004 -11.124 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.578 -1.557 -11.938 1.00 0.00 H new ATOM 216 N ILE A 17 -7.793 1.196 -4.888 1.00 0.00 N ATOM 217 CA ILE A 17 -7.050 2.078 -4.004 1.00 0.00 C ATOM 218 C ILE A 17 -6.118 2.961 -4.836 1.00 0.00 C ATOM 219 O ILE A 17 -6.305 4.175 -4.905 1.00 0.00 O ATOM 220 CB ILE A 17 -6.329 1.270 -2.923 1.00 0.00 C ATOM 221 CG1 ILE A 17 -7.292 0.873 -1.801 1.00 0.00 C ATOM 222 CG2 ILE A 17 -5.112 2.030 -2.391 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.936 -0.504 -1.236 1.00 0.00 C ATOM 0 H ILE A 17 -7.595 0.203 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.729 2.744 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.962 0.348 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.256 1.617 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.314 0.861 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.618 1.434 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.416 2.220 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.435 2.978 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.635 -0.763 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.997 -1.249 -2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.922 -0.482 -0.835 1.00 0.00 H new ATOM 235 N ALA A 18 -5.134 2.317 -5.446 1.00 0.00 N ATOM 236 CA ALA A 18 -4.173 3.029 -6.271 1.00 0.00 C ATOM 237 C ALA A 18 -4.911 4.037 -7.154 1.00 0.00 C ATOM 238 O ALA A 18 -4.659 5.238 -7.076 1.00 0.00 O ATOM 239 CB ALA A 18 -3.359 2.024 -7.089 1.00 0.00 C ATOM 0 H ALA A 18 -4.981 1.310 -5.386 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.473 3.587 -5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.638 2.558 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.830 1.350 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.028 1.447 -7.727 1.00 0.00 H new ATOM 245 N LYS A 19 -5.810 3.511 -7.973 1.00 0.00 N ATOM 246 CA LYS A 19 -6.587 4.349 -8.870 1.00 0.00 C ATOM 247 C LYS A 19 -7.109 5.564 -8.100 1.00 0.00 C ATOM 248 O LYS A 19 -7.186 6.663 -8.647 1.00 0.00 O ATOM 249 CB LYS A 19 -7.688 3.532 -9.548 1.00 0.00 C ATOM 250 CG LYS A 19 -7.240 3.048 -10.928 1.00 0.00 C ATOM 251 CD LYS A 19 -8.401 3.079 -11.924 1.00 0.00 C ATOM 252 CE LYS A 19 -7.998 2.443 -13.256 1.00 0.00 C ATOM 253 NZ LYS A 19 -8.977 1.406 -13.652 1.00 0.00 N ATOM 0 H LYS A 19 -6.018 2.514 -8.034 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.960 4.727 -9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.947 2.676 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.588 4.139 -9.646 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.427 3.677 -11.292 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.848 2.034 -10.852 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.257 2.548 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.716 4.109 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.939 3.210 -14.029 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.006 2.001 -13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.689 0.984 -14.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.014 0.666 -12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.918 1.838 -13.755 1.00 0.00 H new ATOM 267 N LYS A 20 -7.453 5.326 -6.843 1.00 0.00 N ATOM 268 CA LYS A 20 -7.965 6.387 -5.993 1.00 0.00 C ATOM 269 C LYS A 20 -6.828 7.352 -5.648 1.00 0.00 C ATOM 270 O LYS A 20 -6.964 8.562 -5.817 1.00 0.00 O ATOM 271 CB LYS A 20 -8.666 5.800 -4.766 1.00 0.00 C ATOM 272 CG LYS A 20 -10.184 5.959 -4.874 1.00 0.00 C ATOM 273 CD LYS A 20 -10.823 6.072 -3.488 1.00 0.00 C ATOM 274 CE LYS A 20 -10.479 7.412 -2.834 1.00 0.00 C ATOM 275 NZ LYS A 20 -11.509 8.425 -3.155 1.00 0.00 N ATOM 0 H LYS A 20 -7.387 4.413 -6.393 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.725 6.964 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.413 4.744 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.308 6.298 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.419 6.847 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.606 5.105 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.905 5.972 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.476 5.255 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.407 7.288 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.504 7.753 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.260 9.328 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.559 8.555 -4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.433 8.104 -2.802 1.00 0.00 H new ATOM 289 N LEU A 21 -5.733 6.779 -5.172 1.00 0.00 N ATOM 290 CA LEU A 21 -4.573 7.573 -4.802 1.00 0.00 C ATOM 291 C LEU A 21 -4.072 8.338 -6.029 1.00 0.00 C ATOM 292 O LEU A 21 -3.989 9.565 -6.008 1.00 0.00 O ATOM 293 CB LEU A 21 -3.507 6.692 -4.149 1.00 0.00 C ATOM 294 CG LEU A 21 -3.921 5.982 -2.858 1.00 0.00 C ATOM 295 CD1 LEU A 21 -2.957 4.842 -2.525 1.00 0.00 C ATOM 296 CD2 LEU A 21 -4.052 6.978 -1.703 1.00 0.00 C ATOM 0 H LEU A 21 -5.624 5.774 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.843 8.316 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.196 5.937 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.634 7.309 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.904 5.537 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.274 4.355 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.957 4.116 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.951 5.242 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.347 6.448 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.095 7.472 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.808 7.724 -1.950 1.00 0.00 H new ATOM 308 N GLU A 22 -3.751 7.581 -7.068 1.00 0.00 N ATOM 309 CA GLU A 22 -3.260 8.172 -8.301 1.00 0.00 C ATOM 310 C GLU A 22 -4.098 9.398 -8.672 1.00 0.00 C ATOM 311 O GLU A 22 -3.555 10.432 -9.058 1.00 0.00 O ATOM 312 CB GLU A 22 -3.255 7.147 -9.436 1.00 0.00 C ATOM 313 CG GLU A 22 -2.351 5.960 -9.099 1.00 0.00 C ATOM 314 CD GLU A 22 -0.929 6.190 -9.614 1.00 0.00 C ATOM 315 OE1 GLU A 22 -0.217 6.996 -8.977 1.00 0.00 O ATOM 316 OE2 GLU A 22 -0.585 5.554 -10.634 1.00 0.00 O ATOM 0 H GLU A 22 -3.821 6.564 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.231 8.494 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.271 6.795 -9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.912 7.620 -10.356 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.331 5.809 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.759 5.051 -9.541 1.00 0.00 H new ATOM 323 N LYS A 23 -5.407 9.241 -8.542 1.00 0.00 N ATOM 324 CA LYS A 23 -6.325 10.322 -8.859 1.00 0.00 C ATOM 325 C LYS A 23 -6.057 11.504 -7.926 1.00 0.00 C ATOM 326 O LYS A 23 -5.749 12.603 -8.383 1.00 0.00 O ATOM 327 CB LYS A 23 -7.772 9.824 -8.822 1.00 0.00 C ATOM 328 CG LYS A 23 -8.754 10.979 -9.028 1.00 0.00 C ATOM 329 CD LYS A 23 -10.141 10.622 -8.489 1.00 0.00 C ATOM 330 CE LYS A 23 -11.061 10.145 -9.615 1.00 0.00 C ATOM 331 NZ LYS A 23 -12.085 9.216 -9.088 1.00 0.00 N ATOM 0 H LYS A 23 -5.854 8.382 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.160 10.676 -9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.922 9.072 -9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.970 9.340 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.383 11.871 -8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.823 11.218 -10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.051 9.842 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.580 11.492 -8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.545 11.001 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.473 9.648 -10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.701 8.902 -9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.618 8.391 -8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.657 9.702 -8.368 1.00 0.00 H new ATOM 345 N MET A 24 -6.183 11.237 -6.634 1.00 0.00 N ATOM 346 CA MET A 24 -5.958 12.265 -5.632 1.00 0.00 C ATOM 347 C MET A 24 -4.696 13.071 -5.948 1.00 0.00 C ATOM 348 O MET A 24 -4.720 14.301 -5.926 1.00 0.00 O ATOM 349 CB MET A 24 -5.816 11.613 -4.255 1.00 0.00 C ATOM 350 CG MET A 24 -7.053 10.780 -3.913 1.00 0.00 C ATOM 351 SD MET A 24 -7.632 11.191 -2.275 1.00 0.00 S ATOM 352 CE MET A 24 -7.298 9.653 -1.433 1.00 0.00 C ATOM 0 H MET A 24 -6.438 10.324 -6.258 1.00 0.00 H new ATOM 0 HA MET A 24 -6.811 12.944 -5.636 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.930 10.978 -4.239 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.671 12.383 -3.497 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.840 10.966 -4.643 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.813 9.718 -3.967 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.223 9.262 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.890 8.932 -2.141 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.576 9.825 -0.634 1.00 0.00 H new ATOM 362 N VAL A 25 -3.625 12.346 -6.234 1.00 0.00 N ATOM 363 CA VAL A 25 -2.357 12.978 -6.554 1.00 0.00 C ATOM 364 C VAL A 25 -2.536 13.883 -7.775 1.00 0.00 C ATOM 365 O VAL A 25 -2.334 15.094 -7.690 1.00 0.00 O ATOM 366 CB VAL A 25 -1.276 11.913 -6.753 1.00 0.00 C ATOM 367 CG1 VAL A 25 0.096 12.557 -6.960 1.00 0.00 C ATOM 368 CG2 VAL A 25 -1.251 10.932 -5.580 1.00 0.00 C ATOM 0 H VAL A 25 -3.609 11.326 -6.251 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.026 13.608 -5.728 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.521 11.351 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.846 11.778 -7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.069 13.196 -7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.352 13.156 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.474 10.186 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.042 11.473 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.219 10.437 -5.499 1.00 0.00 H new ATOM 378 N SER A 26 -2.915 13.262 -8.882 1.00 0.00 N ATOM 379 CA SER A 26 -3.124 13.996 -10.118 1.00 0.00 C ATOM 380 C SER A 26 -3.864 15.304 -9.831 1.00 0.00 C ATOM 381 O SER A 26 -3.378 16.383 -10.169 1.00 0.00 O ATOM 382 CB SER A 26 -3.905 13.157 -11.132 1.00 0.00 C ATOM 383 OG SER A 26 -3.044 12.359 -11.939 1.00 0.00 O ATOM 0 H SER A 26 -3.083 12.258 -8.949 1.00 0.00 H new ATOM 0 HA SER A 26 -2.149 14.224 -10.549 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.608 12.512 -10.605 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.494 13.815 -11.771 1.00 0.00 H new ATOM 0 HG SER A 26 -3.580 11.837 -12.572 1.00 0.00 H new ATOM 389 N ARG A 27 -5.026 15.166 -9.210 1.00 0.00 N ATOM 390 CA ARG A 27 -5.837 16.324 -8.874 1.00 0.00 C ATOM 391 C ARG A 27 -5.139 17.169 -7.806 1.00 0.00 C ATOM 392 O ARG A 27 -5.381 18.371 -7.704 1.00 0.00 O ATOM 393 CB ARG A 27 -7.214 15.901 -8.359 1.00 0.00 C ATOM 394 CG ARG A 27 -7.721 14.663 -9.102 1.00 0.00 C ATOM 395 CD ARG A 27 -9.166 14.855 -9.566 1.00 0.00 C ATOM 396 NE ARG A 27 -9.984 15.403 -8.461 1.00 0.00 N ATOM 397 CZ ARG A 27 -11.270 15.760 -8.584 1.00 0.00 C ATOM 398 NH1 ARG A 27 -11.891 15.630 -9.764 1.00 0.00 N ATOM 399 NH2 ARG A 27 -11.933 16.248 -7.527 1.00 0.00 N ATOM 0 H ARG A 27 -5.425 14.270 -8.931 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.966 16.913 -9.782 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.158 15.691 -7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.921 16.721 -8.486 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.082 14.464 -9.963 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.657 13.792 -8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.195 15.531 -10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.580 13.903 -9.898 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.541 15.516 -7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.385 15.259 -10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.870 15.902 -9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.459 16.348 -6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.912 16.520 -7.620 1.00 0.00 H new ATOM 413 N LYS A 28 -4.286 16.507 -7.038 1.00 0.00 N ATOM 414 CA LYS A 28 -3.551 17.183 -5.982 1.00 0.00 C ATOM 415 C LYS A 28 -4.520 17.584 -4.868 1.00 0.00 C ATOM 416 O LYS A 28 -4.718 18.770 -4.610 1.00 0.00 O ATOM 417 CB LYS A 28 -2.750 18.355 -6.552 1.00 0.00 C ATOM 418 CG LYS A 28 -1.290 18.293 -6.100 1.00 0.00 C ATOM 419 CD LYS A 28 -0.806 19.662 -5.618 1.00 0.00 C ATOM 420 CE LYS A 28 -0.199 20.466 -6.770 1.00 0.00 C ATOM 421 NZ LYS A 28 0.053 21.863 -6.352 1.00 0.00 N ATOM 0 H LYS A 28 -4.087 15.510 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.816 16.511 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.798 18.338 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.195 19.296 -6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.185 17.563 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.664 17.952 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.640 20.214 -5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.064 19.533 -4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.734 20.003 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.874 20.453 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.465 22.394 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.843 22.307 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.715 21.871 -5.550 1.00 0.00 H new ATOM 435 N LYS A 29 -5.099 16.572 -4.238 1.00 0.00 N ATOM 436 CA LYS A 29 -6.043 16.804 -3.158 1.00 0.00 C ATOM 437 C LYS A 29 -6.308 15.487 -2.426 1.00 0.00 C ATOM 438 O LYS A 29 -7.412 14.949 -2.491 1.00 0.00 O ATOM 439 CB LYS A 29 -7.309 17.479 -3.689 1.00 0.00 C ATOM 440 CG LYS A 29 -8.273 17.811 -2.547 1.00 0.00 C ATOM 441 CD LYS A 29 -8.286 19.314 -2.260 1.00 0.00 C ATOM 442 CE LYS A 29 -9.718 19.837 -2.141 1.00 0.00 C ATOM 443 NZ LYS A 29 -9.728 21.190 -1.542 1.00 0.00 N ATOM 0 H LYS A 29 -4.932 15.589 -4.455 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.624 17.496 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.043 18.392 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.802 16.823 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.278 17.478 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.979 17.268 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.743 19.516 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.766 19.845 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.184 19.866 -3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.310 19.157 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.708 21.530 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.302 21.153 -0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.180 21.839 -2.142 1.00 0.00 H new ATOM 457 N THR A 30 -5.277 15.005 -1.748 1.00 0.00 N ATOM 458 CA THR A 30 -5.386 13.761 -1.005 1.00 0.00 C ATOM 459 C THR A 30 -6.138 13.988 0.308 1.00 0.00 C ATOM 460 O THR A 30 -5.522 14.193 1.353 1.00 0.00 O ATOM 461 CB THR A 30 -3.974 13.204 -0.808 1.00 0.00 C ATOM 462 OG1 THR A 30 -3.356 14.129 0.082 1.00 0.00 O ATOM 463 CG2 THR A 30 -3.129 13.289 -2.080 1.00 0.00 C ATOM 0 H THR A 30 -4.362 15.453 -1.698 1.00 0.00 H new ATOM 0 HA THR A 30 -5.970 13.022 -1.554 1.00 0.00 H new ATOM 0 HB THR A 30 -4.036 12.166 -0.482 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.850 14.148 0.928 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.137 12.881 -1.886 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.608 12.716 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.039 14.331 -2.388 1.00 0.00 H new ATOM 471 N GLU A 31 -7.459 13.942 0.211 1.00 0.00 N ATOM 472 CA GLU A 31 -8.301 14.140 1.378 1.00 0.00 C ATOM 473 C GLU A 31 -8.883 12.804 1.846 1.00 0.00 C ATOM 474 O GLU A 31 -10.092 12.681 2.033 1.00 0.00 O ATOM 475 CB GLU A 31 -9.413 15.150 1.087 1.00 0.00 C ATOM 476 CG GLU A 31 -9.626 16.089 2.276 1.00 0.00 C ATOM 477 CD GLU A 31 -11.067 16.013 2.784 1.00 0.00 C ATOM 478 OE1 GLU A 31 -11.958 16.469 2.036 1.00 0.00 O ATOM 479 OE2 GLU A 31 -11.245 15.500 3.910 1.00 0.00 O ATOM 0 H GLU A 31 -7.966 13.771 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.686 14.547 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.158 15.731 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.340 14.622 0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.939 15.825 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.394 17.113 1.982 1.00 0.00 H new ATOM 486 N GLY A 32 -7.994 11.837 2.020 1.00 0.00 N ATOM 487 CA GLY A 32 -8.404 10.515 2.462 1.00 0.00 C ATOM 488 C GLY A 32 -7.433 9.444 1.961 1.00 0.00 C ATOM 489 O GLY A 32 -7.855 8.395 1.477 1.00 0.00 O ATOM 0 H GLY A 32 -6.992 11.943 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.449 10.489 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.408 10.300 2.096 1.00 0.00 H new ATOM 493 N ALA A 33 -6.149 9.745 2.095 1.00 0.00 N ATOM 494 CA ALA A 33 -5.115 8.821 1.662 1.00 0.00 C ATOM 495 C ALA A 33 -4.814 7.834 2.791 1.00 0.00 C ATOM 496 O ALA A 33 -4.725 6.629 2.560 1.00 0.00 O ATOM 497 CB ALA A 33 -3.876 9.608 1.230 1.00 0.00 C ATOM 0 H ALA A 33 -5.802 10.616 2.497 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.452 8.244 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.100 8.915 0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.136 10.273 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.508 10.197 2.070 1.00 0.00 H new ATOM 503 N LEU A 34 -4.665 8.381 3.989 1.00 0.00 N ATOM 504 CA LEU A 34 -4.376 7.563 5.155 1.00 0.00 C ATOM 505 C LEU A 34 -5.216 6.285 5.097 1.00 0.00 C ATOM 506 O LEU A 34 -4.676 5.181 5.126 1.00 0.00 O ATOM 507 CB LEU A 34 -4.574 8.371 6.438 1.00 0.00 C ATOM 508 CG LEU A 34 -3.840 7.853 7.677 1.00 0.00 C ATOM 509 CD1 LEU A 34 -2.368 7.573 7.365 1.00 0.00 C ATOM 510 CD2 LEU A 34 -4.003 8.816 8.854 1.00 0.00 C ATOM 0 H LEU A 34 -4.739 9.381 4.177 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.330 7.257 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.253 9.396 6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.640 8.407 6.660 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.293 6.906 7.971 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.869 7.206 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.299 6.821 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.886 8.492 7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.472 8.424 9.721 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.593 9.790 8.587 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.061 8.922 9.094 1.00 0.00 H new ATOM 522 N ASP A 35 -6.525 6.479 5.016 1.00 0.00 N ATOM 523 CA ASP A 35 -7.445 5.356 4.954 1.00 0.00 C ATOM 524 C ASP A 35 -6.946 4.350 3.914 1.00 0.00 C ATOM 525 O ASP A 35 -6.692 3.191 4.238 1.00 0.00 O ATOM 526 CB ASP A 35 -8.844 5.812 4.537 1.00 0.00 C ATOM 527 CG ASP A 35 -9.825 6.026 5.692 1.00 0.00 C ATOM 528 OD1 ASP A 35 -10.474 5.030 6.077 1.00 0.00 O ATOM 529 OD2 ASP A 35 -9.904 7.182 6.162 1.00 0.00 O ATOM 0 H ASP A 35 -6.970 7.397 4.992 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.493 4.905 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.755 6.744 3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.263 5.071 3.856 1.00 0.00 H new ATOM 534 N LEU A 36 -6.821 4.831 2.686 1.00 0.00 N ATOM 535 CA LEU A 36 -6.358 3.989 1.596 1.00 0.00 C ATOM 536 C LEU A 36 -5.059 3.294 2.011 1.00 0.00 C ATOM 537 O LEU A 36 -4.938 2.075 1.894 1.00 0.00 O ATOM 538 CB LEU A 36 -6.235 4.801 0.306 1.00 0.00 C ATOM 539 CG LEU A 36 -7.550 5.278 -0.314 1.00 0.00 C ATOM 540 CD1 LEU A 36 -7.323 6.497 -1.211 1.00 0.00 C ATOM 541 CD2 LEU A 36 -8.249 4.140 -1.061 1.00 0.00 C ATOM 0 H LEU A 36 -7.032 5.793 2.422 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.086 3.206 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.614 5.674 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.707 4.197 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.214 5.590 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.273 6.816 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.900 7.310 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.633 6.235 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.181 4.506 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.600 3.775 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.465 3.328 -0.367 1.00 0.00 H new ATOM 553 N LEU A 37 -4.121 4.099 2.488 1.00 0.00 N ATOM 554 CA LEU A 37 -2.836 3.577 2.921 1.00 0.00 C ATOM 555 C LEU A 37 -3.061 2.473 3.956 1.00 0.00 C ATOM 556 O LEU A 37 -2.496 1.387 3.844 1.00 0.00 O ATOM 557 CB LEU A 37 -1.936 4.711 3.417 1.00 0.00 C ATOM 558 CG LEU A 37 -1.743 5.884 2.453 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.388 7.164 3.212 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.704 5.546 1.381 1.00 0.00 C ATOM 0 H LEU A 37 -4.225 5.109 2.584 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.307 3.125 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.351 5.096 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.956 4.295 3.652 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.688 6.065 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.256 7.982 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.192 7.410 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.463 7.013 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.585 6.396 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.251 5.324 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.037 4.677 0.813 1.00 0.00 H new ATOM 572 N LYS A 38 -3.889 2.790 4.941 1.00 0.00 N ATOM 573 CA LYS A 38 -4.197 1.839 5.995 1.00 0.00 C ATOM 574 C LYS A 38 -4.554 0.489 5.370 1.00 0.00 C ATOM 575 O LYS A 38 -3.885 -0.512 5.621 1.00 0.00 O ATOM 576 CB LYS A 38 -5.281 2.396 6.920 1.00 0.00 C ATOM 577 CG LYS A 38 -4.731 3.524 7.794 1.00 0.00 C ATOM 578 CD LYS A 38 -5.616 3.748 9.022 1.00 0.00 C ATOM 579 CE LYS A 38 -5.914 5.236 9.219 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.195 5.418 9.937 1.00 0.00 N ATOM 0 H LYS A 38 -4.356 3.692 5.031 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.325 1.676 6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.116 2.766 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.669 1.598 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.717 3.281 8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.671 4.444 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.550 3.199 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.121 3.352 9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.106 5.703 9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.959 5.735 8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.382 6.433 10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.966 4.990 9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.139 4.959 10.869 1.00 0.00 H new ATOM 594 N LYS A 39 -5.609 0.505 4.568 1.00 0.00 N ATOM 595 CA LYS A 39 -6.064 -0.705 3.905 1.00 0.00 C ATOM 596 C LYS A 39 -4.861 -1.433 3.302 1.00 0.00 C ATOM 597 O LYS A 39 -4.609 -2.594 3.622 1.00 0.00 O ATOM 598 CB LYS A 39 -7.160 -0.380 2.889 1.00 0.00 C ATOM 599 CG LYS A 39 -8.548 -0.625 3.482 1.00 0.00 C ATOM 600 CD LYS A 39 -8.905 -2.113 3.446 1.00 0.00 C ATOM 601 CE LYS A 39 -10.415 -2.318 3.582 1.00 0.00 C ATOM 602 NZ LYS A 39 -10.888 -1.830 4.896 1.00 0.00 N ATOM 0 H LYS A 39 -6.162 1.337 4.363 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.521 -1.385 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.073 0.660 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.028 -0.994 1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.577 -0.265 4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.291 -0.055 2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.558 -2.551 2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.390 -2.634 4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.933 -1.788 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.656 -3.375 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.894 -2.068 5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.335 -2.280 5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.768 -0.798 4.947 1.00 0.00 H new ATOM 616 N LEU A 40 -4.151 -0.722 2.439 1.00 0.00 N ATOM 617 CA LEU A 40 -2.981 -1.286 1.788 1.00 0.00 C ATOM 618 C LEU A 40 -2.166 -2.079 2.811 1.00 0.00 C ATOM 619 O LEU A 40 -1.910 -3.267 2.619 1.00 0.00 O ATOM 620 CB LEU A 40 -2.181 -0.190 1.081 1.00 0.00 C ATOM 621 CG LEU A 40 -2.815 0.394 -0.183 1.00 0.00 C ATOM 622 CD1 LEU A 40 -2.096 1.673 -0.617 1.00 0.00 C ATOM 623 CD2 LEU A 40 -2.861 -0.646 -1.305 1.00 0.00 C ATOM 0 H LEU A 40 -4.363 0.240 2.175 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.280 -1.985 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.013 0.623 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.203 -0.593 0.820 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.845 0.666 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.567 2.067 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.159 2.414 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.049 1.450 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.316 -0.205 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.848 -0.972 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.452 -1.503 -0.982 1.00 0.00 H new ATOM 635 N ASN A 41 -1.781 -1.391 3.876 1.00 0.00 N ATOM 636 CA ASN A 41 -1.001 -2.017 4.929 1.00 0.00 C ATOM 637 C ASN A 41 -1.568 -3.408 5.221 1.00 0.00 C ATOM 638 O ASN A 41 -0.859 -4.407 5.114 1.00 0.00 O ATOM 639 CB ASN A 41 -1.064 -1.200 6.221 1.00 0.00 C ATOM 640 CG ASN A 41 0.046 -1.616 7.188 1.00 0.00 C ATOM 641 OD1 ASN A 41 0.105 -2.739 7.660 1.00 0.00 O ATOM 642 ND2 ASN A 41 0.921 -0.650 7.455 1.00 0.00 N ATOM 0 H ASN A 41 -1.995 -0.406 4.032 1.00 0.00 H new ATOM 0 HA ASN A 41 0.033 -2.078 4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.970 -0.139 5.989 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.035 -1.338 6.696 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.700 -0.828 8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.813 0.269 7.025 1.00 0.00 H new ATOM 649 N SER A 42 -2.842 -3.427 5.584 1.00 0.00 N ATOM 650 CA SER A 42 -3.513 -4.679 5.893 1.00 0.00 C ATOM 651 C SER A 42 -3.416 -5.632 4.700 1.00 0.00 C ATOM 652 O SER A 42 -2.986 -6.775 4.847 1.00 0.00 O ATOM 653 CB SER A 42 -4.978 -4.442 6.265 1.00 0.00 C ATOM 654 OG SER A 42 -5.111 -3.538 7.358 1.00 0.00 O ATOM 0 H SER A 42 -3.427 -2.596 5.671 1.00 0.00 H new ATOM 0 HA SER A 42 -3.017 -5.130 6.752 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.512 -4.047 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.445 -5.393 6.522 1.00 0.00 H new ATOM 0 HG SER A 42 -6.061 -3.411 7.564 1.00 0.00 H new ATOM 660 N CYS A 43 -3.824 -5.127 3.545 1.00 0.00 N ATOM 661 CA CYS A 43 -3.788 -5.919 2.327 1.00 0.00 C ATOM 662 C CYS A 43 -2.411 -6.576 2.221 1.00 0.00 C ATOM 663 O CYS A 43 -1.388 -5.901 2.329 1.00 0.00 O ATOM 664 CB CYS A 43 -4.115 -5.075 1.093 1.00 0.00 C ATOM 665 SG CYS A 43 -5.846 -4.487 1.178 1.00 0.00 S ATOM 0 H CYS A 43 -4.181 -4.179 3.427 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.555 -6.692 2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.436 -4.225 1.033 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.967 -5.665 0.189 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.950 -3.577 2.101 1.00 0.00 H new ATOM 671 N GLN A 44 -2.428 -7.884 2.011 1.00 0.00 N ATOM 672 CA GLN A 44 -1.193 -8.639 1.889 1.00 0.00 C ATOM 673 C GLN A 44 -0.537 -8.367 0.534 1.00 0.00 C ATOM 674 O GLN A 44 -0.576 -9.212 -0.359 1.00 0.00 O ATOM 675 CB GLN A 44 -1.443 -10.135 2.087 1.00 0.00 C ATOM 676 CG GLN A 44 -0.978 -10.590 3.472 1.00 0.00 C ATOM 677 CD GLN A 44 -2.168 -10.790 4.412 1.00 0.00 C ATOM 678 OE1 GLN A 44 -3.053 -11.595 4.173 1.00 0.00 O ATOM 679 NE2 GLN A 44 -2.141 -10.013 5.491 1.00 0.00 N ATOM 0 H GLN A 44 -3.278 -8.440 1.922 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.511 -8.312 2.673 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.505 -10.349 1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.916 -10.700 1.319 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.419 -11.522 3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.298 -9.849 3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.370 -9.360 5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.891 -10.070 6.179 1.00 0.00 H new ATOM 688 N MET A 45 0.052 -7.185 0.423 1.00 0.00 N ATOM 689 CA MET A 45 0.716 -6.792 -0.808 1.00 0.00 C ATOM 690 C MET A 45 1.812 -7.791 -1.183 1.00 0.00 C ATOM 691 O MET A 45 2.381 -8.450 -0.313 1.00 0.00 O ATOM 692 CB MET A 45 1.330 -5.401 -0.635 1.00 0.00 C ATOM 693 CG MET A 45 2.053 -4.960 -1.909 1.00 0.00 C ATOM 694 SD MET A 45 0.879 -4.754 -3.238 1.00 0.00 S ATOM 695 CE MET A 45 -0.176 -3.501 -2.529 1.00 0.00 C ATOM 0 H MET A 45 0.083 -6.487 1.166 1.00 0.00 H new ATOM 0 HA MET A 45 -0.024 -6.776 -1.609 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.548 -4.682 -0.389 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.030 -5.410 0.201 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.581 -4.023 -1.731 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.803 -5.701 -2.187 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.822 -3.088 -3.304 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.789 -3.943 -1.744 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.438 -2.706 -2.106 1.00 0.00 H new ATOM 705 N SER A 46 2.076 -7.873 -2.479 1.00 0.00 N ATOM 706 CA SER A 46 3.094 -8.781 -2.979 1.00 0.00 C ATOM 707 C SER A 46 3.931 -8.087 -4.056 1.00 0.00 C ATOM 708 O SER A 46 3.573 -7.007 -4.525 1.00 0.00 O ATOM 709 CB SER A 46 2.466 -10.059 -3.538 1.00 0.00 C ATOM 710 OG SER A 46 2.168 -11.001 -2.510 1.00 0.00 O ATOM 0 H SER A 46 1.603 -7.326 -3.198 1.00 0.00 H new ATOM 0 HA SER A 46 3.741 -9.060 -2.147 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.552 -9.808 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.146 -10.512 -4.259 1.00 0.00 H new ATOM 0 HG SER A 46 1.767 -11.802 -2.907 1.00 0.00 H new ATOM 716 N ILE A 47 5.029 -8.734 -4.416 1.00 0.00 N ATOM 717 CA ILE A 47 5.919 -8.193 -5.429 1.00 0.00 C ATOM 718 C ILE A 47 5.166 -8.078 -6.755 1.00 0.00 C ATOM 719 O ILE A 47 5.064 -6.992 -7.324 1.00 0.00 O ATOM 720 CB ILE A 47 7.199 -9.026 -5.518 1.00 0.00 C ATOM 721 CG1 ILE A 47 8.118 -8.749 -4.326 1.00 0.00 C ATOM 722 CG2 ILE A 47 7.909 -8.799 -6.854 1.00 0.00 C ATOM 723 CD1 ILE A 47 9.262 -9.764 -4.268 1.00 0.00 C ATOM 0 H ILE A 47 5.323 -9.629 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 47 6.239 -7.187 -5.157 1.00 0.00 H new ATOM 0 HB ILE A 47 6.924 -10.080 -5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.525 -7.741 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.543 -8.791 -3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.816 -9.403 -6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.247 -9.087 -7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.170 -7.745 -6.953 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.900 -9.545 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.852 -10.769 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.850 -9.702 -5.184 1.00 0.00 H new ATOM 735 N GLN A 48 4.658 -9.214 -7.210 1.00 0.00 N ATOM 736 CA GLN A 48 3.917 -9.255 -8.460 1.00 0.00 C ATOM 737 C GLN A 48 2.812 -8.197 -8.456 1.00 0.00 C ATOM 738 O GLN A 48 2.684 -7.424 -9.405 1.00 0.00 O ATOM 739 CB GLN A 48 3.340 -10.650 -8.709 1.00 0.00 C ATOM 740 CG GLN A 48 3.325 -10.978 -10.204 1.00 0.00 C ATOM 741 CD GLN A 48 2.386 -12.149 -10.499 1.00 0.00 C ATOM 742 OE1 GLN A 48 2.117 -12.990 -9.658 1.00 0.00 O ATOM 743 NE2 GLN A 48 1.903 -12.156 -11.738 1.00 0.00 N ATOM 0 H GLN A 48 4.745 -10.113 -6.736 1.00 0.00 H new ATOM 0 HA GLN A 48 4.604 -9.031 -9.276 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.933 -11.393 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.327 -10.705 -8.311 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.008 -10.102 -10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.334 -11.223 -10.536 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.169 -11.421 -12.393 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.267 -12.896 -12.033 1.00 0.00 H new ATOM 752 N LEU A 49 2.041 -8.196 -7.379 1.00 0.00 N ATOM 753 CA LEU A 49 0.950 -7.246 -7.240 1.00 0.00 C ATOM 754 C LEU A 49 1.518 -5.825 -7.212 1.00 0.00 C ATOM 755 O LEU A 49 0.908 -4.899 -7.743 1.00 0.00 O ATOM 756 CB LEU A 49 0.093 -7.589 -6.020 1.00 0.00 C ATOM 757 CG LEU A 49 -0.491 -9.003 -5.987 1.00 0.00 C ATOM 758 CD1 LEU A 49 -1.045 -9.335 -4.600 1.00 0.00 C ATOM 759 CD2 LEU A 49 -1.541 -9.189 -7.084 1.00 0.00 C ATOM 0 H LEU A 49 2.150 -8.838 -6.594 1.00 0.00 H new ATOM 0 HA LEU A 49 0.281 -7.306 -8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.697 -7.446 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.730 -6.876 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 49 0.314 -9.710 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.454 -10.345 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.244 -9.271 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.832 -8.626 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.940 -10.202 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.350 -8.474 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.082 -9.024 -8.059 1.00 0.00 H new ATOM 771 N LEU A 50 2.679 -5.699 -6.586 1.00 0.00 N ATOM 772 CA LEU A 50 3.336 -4.407 -6.482 1.00 0.00 C ATOM 773 C LEU A 50 3.614 -3.866 -7.886 1.00 0.00 C ATOM 774 O LEU A 50 3.797 -2.663 -8.067 1.00 0.00 O ATOM 775 CB LEU A 50 4.585 -4.510 -5.605 1.00 0.00 C ATOM 776 CG LEU A 50 4.402 -4.143 -4.131 1.00 0.00 C ATOM 777 CD1 LEU A 50 5.414 -4.880 -3.252 1.00 0.00 C ATOM 778 CD2 LEU A 50 4.467 -2.627 -3.932 1.00 0.00 C ATOM 0 H LEU A 50 3.181 -6.470 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 50 2.684 -3.688 -5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.960 -5.532 -5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.355 -3.864 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 50 3.409 -4.467 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.262 -4.601 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.277 -5.956 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.425 -4.609 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.334 -2.393 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.436 -2.257 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.677 -2.150 -4.512 1.00 0.00 H new ATOM 790 N GLN A 51 3.637 -4.781 -8.844 1.00 0.00 N ATOM 791 CA GLN A 51 3.889 -4.411 -10.227 1.00 0.00 C ATOM 792 C GLN A 51 2.568 -4.213 -10.973 1.00 0.00 C ATOM 793 O GLN A 51 2.445 -3.304 -11.792 1.00 0.00 O ATOM 794 CB GLN A 51 4.761 -5.458 -10.924 1.00 0.00 C ATOM 795 CG GLN A 51 6.236 -5.271 -10.564 1.00 0.00 C ATOM 796 CD GLN A 51 7.140 -6.016 -11.548 1.00 0.00 C ATOM 797 OE1 GLN A 51 7.655 -5.457 -12.503 1.00 0.00 O ATOM 798 NE2 GLN A 51 7.303 -7.305 -11.264 1.00 0.00 N ATOM 0 H GLN A 51 3.485 -5.778 -8.690 1.00 0.00 H new ATOM 0 HA GLN A 51 4.434 -3.467 -10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.436 -6.458 -10.635 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.634 -5.382 -12.004 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.483 -4.209 -10.570 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.416 -5.635 -9.552 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.843 -7.710 -10.449 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.888 -7.889 -11.862 1.00 0.00 H new ATOM 807 N THR A 52 1.614 -5.078 -10.662 1.00 0.00 N ATOM 808 CA THR A 52 0.307 -5.010 -11.293 1.00 0.00 C ATOM 809 C THR A 52 -0.469 -3.795 -10.781 1.00 0.00 C ATOM 810 O THR A 52 -0.865 -2.932 -11.563 1.00 0.00 O ATOM 811 CB THR A 52 -0.409 -6.338 -11.042 1.00 0.00 C ATOM 812 OG1 THR A 52 -0.793 -6.272 -9.672 1.00 0.00 O ATOM 813 CG2 THR A 52 0.540 -7.536 -11.106 1.00 0.00 C ATOM 0 H THR A 52 1.720 -5.830 -9.981 1.00 0.00 H new ATOM 0 HA THR A 52 0.395 -4.870 -12.370 1.00 0.00 H new ATOM 0 HB THR A 52 -1.204 -6.466 -11.776 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.743 -6.498 -9.587 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.019 -8.453 -10.921 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.999 -7.584 -12.093 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.317 -7.426 -10.349 1.00 0.00 H new ATOM 821 N THR A 53 -0.663 -3.766 -9.470 1.00 0.00 N ATOM 822 CA THR A 53 -1.384 -2.671 -8.845 1.00 0.00 C ATOM 823 C THR A 53 -0.576 -1.376 -8.941 1.00 0.00 C ATOM 824 O THR A 53 -1.127 -0.284 -8.807 1.00 0.00 O ATOM 825 CB THR A 53 -1.709 -3.079 -7.407 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.435 -3.166 -6.774 1.00 0.00 O ATOM 827 CG2 THR A 53 -2.269 -4.501 -7.314 1.00 0.00 C ATOM 0 H THR A 53 -0.333 -4.483 -8.824 1.00 0.00 H new ATOM 0 HA THR A 53 -2.323 -2.470 -9.361 1.00 0.00 H new ATOM 0 HB THR A 53 -2.428 -2.377 -6.985 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.042 -4.047 -6.949 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.483 -4.740 -6.272 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.187 -4.569 -7.898 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.537 -5.207 -7.706 1.00 0.00 H new ATOM 835 N ARG A 54 0.719 -1.539 -9.171 1.00 0.00 N ATOM 836 CA ARG A 54 1.609 -0.397 -9.287 1.00 0.00 C ATOM 837 C ARG A 54 1.347 0.597 -8.153 1.00 0.00 C ATOM 838 O ARG A 54 1.559 1.798 -8.313 1.00 0.00 O ATOM 839 CB ARG A 54 1.423 0.313 -10.630 1.00 0.00 C ATOM 840 CG ARG A 54 2.674 0.175 -11.500 1.00 0.00 C ATOM 841 CD ARG A 54 2.320 -0.359 -12.889 1.00 0.00 C ATOM 842 NE ARG A 54 3.529 -0.903 -13.546 1.00 0.00 N ATOM 843 CZ ARG A 54 3.506 -1.685 -14.634 1.00 0.00 C ATOM 844 NH1 ARG A 54 2.335 -2.020 -15.193 1.00 0.00 N ATOM 845 NH2 ARG A 54 4.653 -2.133 -15.162 1.00 0.00 N ATOM 0 H ARG A 54 1.173 -2.446 -9.280 1.00 0.00 H new ATOM 0 HA ARG A 54 2.632 -0.767 -9.223 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.564 -0.108 -11.152 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.208 1.368 -10.461 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.165 1.144 -11.593 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.384 -0.497 -11.018 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.560 -1.136 -12.806 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.894 0.439 -13.497 1.00 0.00 H new ATOM 0 HE ARG A 54 4.437 -0.668 -13.146 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.462 -1.680 -14.790 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.317 -2.615 -16.021 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.544 -1.879 -14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.635 -2.728 -15.990 1.00 0.00 H new ATOM 859 N ILE A 55 0.889 0.059 -7.032 1.00 0.00 N ATOM 860 CA ILE A 55 0.596 0.883 -5.872 1.00 0.00 C ATOM 861 C ILE A 55 1.901 1.453 -5.313 1.00 0.00 C ATOM 862 O ILE A 55 1.883 2.384 -4.510 1.00 0.00 O ATOM 863 CB ILE A 55 -0.219 0.093 -4.845 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.728 1.007 -3.729 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.586 -1.088 -4.298 1.00 0.00 C ATOM 866 CD1 ILE A 55 -1.892 1.871 -4.215 1.00 0.00 C ATOM 0 H ILE A 55 0.714 -0.937 -6.903 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.027 1.731 -6.156 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.094 -0.319 -5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.048 0.405 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.083 1.646 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.016 -1.633 -3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.856 -1.755 -5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.492 -0.719 -3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.234 2.511 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.562 2.490 -5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.710 1.229 -4.541 1.00 0.00 H new ATOM 878 N GLY A 56 3.004 0.870 -5.761 1.00 0.00 N ATOM 879 CA GLY A 56 4.316 1.308 -5.317 1.00 0.00 C ATOM 880 C GLY A 56 4.569 2.765 -5.710 1.00 0.00 C ATOM 881 O GLY A 56 5.196 3.514 -4.961 1.00 0.00 O ATOM 0 H GLY A 56 3.015 0.098 -6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.392 1.201 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.084 0.671 -5.755 1.00 0.00 H new ATOM 885 N VAL A 57 4.070 3.124 -6.883 1.00 0.00 N ATOM 886 CA VAL A 57 4.234 4.478 -7.384 1.00 0.00 C ATOM 887 C VAL A 57 3.108 5.359 -6.841 1.00 0.00 C ATOM 888 O VAL A 57 3.290 6.561 -6.654 1.00 0.00 O ATOM 889 CB VAL A 57 4.299 4.465 -8.913 1.00 0.00 C ATOM 890 CG1 VAL A 57 3.035 3.841 -9.510 1.00 0.00 C ATOM 891 CG2 VAL A 57 4.527 5.874 -9.464 1.00 0.00 C ATOM 0 H VAL A 57 3.551 2.500 -7.502 1.00 0.00 H new ATOM 0 HA VAL A 57 5.175 4.903 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 57 5.149 3.849 -9.207 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.107 3.844 -10.598 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.933 2.815 -9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.164 4.419 -9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.569 5.837 -10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.707 6.523 -9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.467 6.268 -9.078 1.00 0.00 H new ATOM 901 N ALA A 58 1.969 4.727 -6.601 1.00 0.00 N ATOM 902 CA ALA A 58 0.813 5.438 -6.082 1.00 0.00 C ATOM 903 C ALA A 58 1.164 6.053 -4.726 1.00 0.00 C ATOM 904 O ALA A 58 0.923 7.237 -4.496 1.00 0.00 O ATOM 905 CB ALA A 58 -0.380 4.483 -5.998 1.00 0.00 C ATOM 0 H ALA A 58 1.822 3.730 -6.756 1.00 0.00 H new ATOM 0 HA ALA A 58 0.532 6.252 -6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.247 5.017 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.608 4.097 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.136 3.654 -5.334 1.00 0.00 H new ATOM 911 N VAL A 59 1.729 5.220 -3.863 1.00 0.00 N ATOM 912 CA VAL A 59 2.116 5.667 -2.536 1.00 0.00 C ATOM 913 C VAL A 59 3.172 6.768 -2.661 1.00 0.00 C ATOM 914 O VAL A 59 2.921 7.917 -2.301 1.00 0.00 O ATOM 915 CB VAL A 59 2.590 4.476 -1.700 1.00 0.00 C ATOM 916 CG1 VAL A 59 3.059 4.930 -0.317 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.493 3.415 -1.587 1.00 0.00 C ATOM 0 H VAL A 59 1.928 4.239 -4.057 1.00 0.00 H new ATOM 0 HA VAL A 59 1.261 6.095 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 59 3.441 4.025 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.391 4.065 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.886 5.632 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.235 5.417 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.855 2.579 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.614 3.849 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.227 3.059 -2.582 1.00 0.00 H new ATOM 927 N ASN A 60 4.330 6.377 -3.171 1.00 0.00 N ATOM 928 CA ASN A 60 5.425 7.316 -3.348 1.00 0.00 C ATOM 929 C ASN A 60 4.880 8.626 -3.920 1.00 0.00 C ATOM 930 O ASN A 60 5.231 9.707 -3.449 1.00 0.00 O ATOM 931 CB ASN A 60 6.467 6.770 -4.326 1.00 0.00 C ATOM 932 CG ASN A 60 7.651 7.730 -4.459 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.707 8.568 -5.344 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.590 7.562 -3.533 1.00 0.00 N ATOM 0 H ASN A 60 4.534 5.423 -3.467 1.00 0.00 H new ATOM 0 HA ASN A 60 5.892 7.476 -2.376 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.820 5.798 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.008 6.615 -5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.420 8.154 -3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.480 6.841 -2.820 1.00 0.00 H new ATOM 941 N GLY A 61 4.031 8.487 -4.928 1.00 0.00 N ATOM 942 CA GLY A 61 3.434 9.646 -5.569 1.00 0.00 C ATOM 943 C GLY A 61 2.843 10.603 -4.532 1.00 0.00 C ATOM 944 O GLY A 61 2.931 11.820 -4.684 1.00 0.00 O ATOM 0 H GLY A 61 3.743 7.589 -5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.187 10.166 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.653 9.323 -6.258 1.00 0.00 H new ATOM 948 N VAL A 62 2.255 10.017 -3.500 1.00 0.00 N ATOM 949 CA VAL A 62 1.650 10.802 -2.438 1.00 0.00 C ATOM 950 C VAL A 62 2.743 11.299 -1.490 1.00 0.00 C ATOM 951 O VAL A 62 2.853 12.498 -1.237 1.00 0.00 O ATOM 952 CB VAL A 62 0.572 9.981 -1.728 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.454 10.891 -1.050 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.110 9.015 -2.700 1.00 0.00 C ATOM 0 H VAL A 62 2.185 9.007 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 62 1.152 11.680 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 62 1.059 9.389 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.209 10.281 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.047 11.519 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.933 11.521 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.872 8.443 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.576 9.580 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.632 8.333 -3.116 1.00 0.00 H new ATOM 964 N ARG A 63 3.525 10.352 -0.993 1.00 0.00 N ATOM 965 CA ARG A 63 4.607 10.678 -0.079 1.00 0.00 C ATOM 966 C ARG A 63 5.476 11.794 -0.662 1.00 0.00 C ATOM 967 O ARG A 63 6.211 12.458 0.067 1.00 0.00 O ATOM 968 CB ARG A 63 5.480 9.454 0.201 1.00 0.00 C ATOM 969 CG ARG A 63 6.724 9.839 1.003 1.00 0.00 C ATOM 970 CD ARG A 63 7.515 8.597 1.419 1.00 0.00 C ATOM 971 NE ARG A 63 8.762 8.998 2.108 1.00 0.00 N ATOM 972 CZ ARG A 63 9.907 9.291 1.477 1.00 0.00 C ATOM 973 NH1 ARG A 63 9.971 9.230 0.140 1.00 0.00 N ATOM 974 NH2 ARG A 63 10.990 9.645 2.183 1.00 0.00 N ATOM 0 H ARG A 63 3.431 9.359 -1.206 1.00 0.00 H new ATOM 0 HA ARG A 63 4.160 11.012 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.904 8.710 0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.778 8.993 -0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.358 10.495 0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.430 10.401 1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.910 7.974 2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.752 7.996 0.541 1.00 0.00 H new ATOM 0 HE ARG A 63 8.749 9.055 3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.148 8.960 -0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.843 9.453 -0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.943 9.691 3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.862 9.868 1.702 1.00 0.00 H new ATOM 988 N LYS A 64 5.364 11.965 -1.971 1.00 0.00 N ATOM 989 CA LYS A 64 6.131 12.988 -2.661 1.00 0.00 C ATOM 990 C LYS A 64 5.234 14.198 -2.928 1.00 0.00 C ATOM 991 O LYS A 64 5.671 15.341 -2.795 1.00 0.00 O ATOM 992 CB LYS A 64 6.780 12.413 -3.922 1.00 0.00 C ATOM 993 CG LYS A 64 7.064 13.516 -4.943 1.00 0.00 C ATOM 994 CD LYS A 64 7.587 12.927 -6.255 1.00 0.00 C ATOM 995 CE LYS A 64 8.818 13.691 -6.748 1.00 0.00 C ATOM 996 NZ LYS A 64 9.694 12.804 -7.545 1.00 0.00 N ATOM 0 H LYS A 64 4.753 11.412 -2.572 1.00 0.00 H new ATOM 0 HA LYS A 64 6.955 13.333 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.709 11.908 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.124 11.663 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.153 14.084 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.796 14.214 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.840 11.877 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.804 12.965 -7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.507 14.543 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.371 14.089 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.524 13.338 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.006 12.005 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.168 12.445 -8.367 1.00 0.00 H new ATOM 1010 N HIS A 65 3.997 13.907 -3.300 1.00 0.00 N ATOM 1011 CA HIS A 65 3.034 14.957 -3.586 1.00 0.00 C ATOM 1012 C HIS A 65 2.334 15.379 -2.293 1.00 0.00 C ATOM 1013 O HIS A 65 1.305 16.051 -2.331 1.00 0.00 O ATOM 1014 CB HIS A 65 2.054 14.514 -4.674 1.00 0.00 C ATOM 1015 CG HIS A 65 2.702 14.235 -6.009 1.00 0.00 C ATOM 1016 ND1 HIS A 65 3.838 13.548 -6.322 1.00 0.00 N flip ATOM 1017 CD2 HIS A 65 2.175 14.686 -7.207 1.00 0.00 C flip ATOM 1018 CE1 HIS A 65 3.996 13.577 -7.640 1.00 0.00 C flip ATOM 1019 NE2 HIS A 65 2.966 14.283 -8.190 1.00 0.00 N flip ATOM 0 H HIS A 65 3.639 12.958 -3.410 1.00 0.00 H new ATOM 0 HA HIS A 65 3.552 15.832 -3.979 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.537 13.615 -4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.297 15.288 -4.804 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.272 15.268 -7.321 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.806 13.118 -8.187 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.829 14.468 -9.184 1.00 0.00 H new ATOM 1061 N LYS A 69 2.008 14.105 7.740 1.00 0.00 N ATOM 1062 CA LYS A 69 2.680 13.283 8.732 1.00 0.00 C ATOM 1063 C LYS A 69 2.159 11.848 8.637 1.00 0.00 C ATOM 1064 O LYS A 69 2.876 10.951 8.197 1.00 0.00 O ATOM 1065 CB LYS A 69 2.536 13.900 10.125 1.00 0.00 C ATOM 1066 CG LYS A 69 3.870 14.467 10.614 1.00 0.00 C ATOM 1067 CD LYS A 69 4.512 13.542 11.651 1.00 0.00 C ATOM 1068 CE LYS A 69 6.038 13.587 11.556 1.00 0.00 C ATOM 1069 NZ LYS A 69 6.629 13.937 12.867 1.00 0.00 N ATOM 0 HA LYS A 69 3.751 13.246 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.787 14.692 10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.179 13.145 10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.546 14.596 9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.712 15.454 11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.198 13.838 12.652 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.164 12.520 11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.416 12.619 11.227 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.340 14.319 10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.665 13.963 12.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.282 14.871 13.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.356 13.224 13.573 1.00 0.00 H new ATOM 1083 N GLU A 70 0.915 11.675 9.059 1.00 0.00 N ATOM 1084 CA GLU A 70 0.289 10.364 9.027 1.00 0.00 C ATOM 1085 C GLU A 70 0.181 9.862 7.586 1.00 0.00 C ATOM 1086 O GLU A 70 0.616 8.754 7.277 1.00 0.00 O ATOM 1087 CB GLU A 70 -1.084 10.395 9.702 1.00 0.00 C ATOM 1088 CG GLU A 70 -0.948 10.595 11.212 1.00 0.00 C ATOM 1089 CD GLU A 70 -2.312 10.856 11.855 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -2.737 12.031 11.829 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -2.899 9.873 12.358 1.00 0.00 O ATOM 0 H GLU A 70 0.324 12.421 9.425 1.00 0.00 H new ATOM 0 HA GLU A 70 0.916 9.670 9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.684 11.200 9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.613 9.463 9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.494 9.711 11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.281 11.433 11.413 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.402 10.702 6.743 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.572 10.357 5.342 1.00 0.00 C ATOM 1100 C VAL A 71 0.790 10.013 4.736 1.00 0.00 C ATOM 1101 O VAL A 71 0.879 9.182 3.833 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.284 11.495 4.606 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.215 11.295 3.091 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -2.733 11.629 5.076 1.00 0.00 C ATOM 0 H VAL A 71 -0.762 11.620 7.003 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.204 9.475 5.240 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.767 12.424 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.728 12.117 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.172 11.272 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.695 10.353 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.216 12.444 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.266 10.699 4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.751 11.840 6.145 1.00 0.00 H new ATOM 1114 N VAL A 72 1.816 10.668 5.257 1.00 0.00 N ATOM 1115 CA VAL A 72 3.169 10.442 4.779 1.00 0.00 C ATOM 1116 C VAL A 72 3.770 9.241 5.512 1.00 0.00 C ATOM 1117 O VAL A 72 4.656 8.568 4.987 1.00 0.00 O ATOM 1118 CB VAL A 72 4.001 11.716 4.938 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.489 11.387 5.067 1.00 0.00 C ATOM 1120 CG2 VAL A 72 3.751 12.683 3.779 1.00 0.00 C ATOM 0 H VAL A 72 1.738 11.356 6.006 1.00 0.00 H new ATOM 0 HA VAL A 72 3.163 10.205 3.715 1.00 0.00 H new ATOM 0 HB VAL A 72 3.686 12.208 5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.057 12.310 5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.648 10.755 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.824 10.861 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.355 13.580 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.024 12.203 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.696 12.956 3.754 1.00 0.00 H new ATOM 1130 N SER A 73 3.264 9.008 6.714 1.00 0.00 N ATOM 1131 CA SER A 73 3.740 7.899 7.524 1.00 0.00 C ATOM 1132 C SER A 73 3.344 6.571 6.878 1.00 0.00 C ATOM 1133 O SER A 73 4.206 5.789 6.479 1.00 0.00 O ATOM 1134 CB SER A 73 3.188 7.982 8.949 1.00 0.00 C ATOM 1135 OG SER A 73 4.192 7.719 9.926 1.00 0.00 O ATOM 0 H SER A 73 2.529 9.568 7.147 1.00 0.00 H new ATOM 0 HA SER A 73 4.827 7.958 7.580 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.768 8.974 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.373 7.267 9.065 1.00 0.00 H new ATOM 0 HG SER A 73 3.801 7.783 10.822 1.00 0.00 H new ATOM 1141 N LEU A 74 2.039 6.355 6.794 1.00 0.00 N ATOM 1142 CA LEU A 74 1.519 5.135 6.203 1.00 0.00 C ATOM 1143 C LEU A 74 2.232 4.871 4.875 1.00 0.00 C ATOM 1144 O LEU A 74 2.630 3.742 4.594 1.00 0.00 O ATOM 1145 CB LEU A 74 -0.005 5.207 6.078 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.767 3.925 6.421 1.00 0.00 C ATOM 1147 CD1 LEU A 74 0.116 2.692 6.220 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -1.345 3.992 7.836 1.00 0.00 C ATOM 0 H LEU A 74 1.327 7.005 7.126 1.00 0.00 H new ATOM 0 HA LEU A 74 1.724 4.282 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.366 6.005 6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.253 5.491 5.055 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.608 3.834 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.450 1.795 6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.437 2.640 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.991 2.762 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.881 3.069 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.535 4.119 8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.031 4.836 7.909 1.00 0.00 H new ATOM 1160 N ALA A 75 2.372 5.933 4.095 1.00 0.00 N ATOM 1161 CA ALA A 75 3.031 5.831 2.803 1.00 0.00 C ATOM 1162 C ALA A 75 4.445 5.282 2.999 1.00 0.00 C ATOM 1163 O ALA A 75 4.888 4.415 2.247 1.00 0.00 O ATOM 1164 CB ALA A 75 3.026 7.199 2.118 1.00 0.00 C ATOM 0 H ALA A 75 2.041 6.868 4.332 1.00 0.00 H new ATOM 0 HA ALA A 75 2.496 5.139 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.520 7.123 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.998 7.531 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.557 7.919 2.740 1.00 0.00 H new ATOM 1170 N LYS A 76 5.115 5.809 4.014 1.00 0.00 N ATOM 1171 CA LYS A 76 6.470 5.382 4.318 1.00 0.00 C ATOM 1172 C LYS A 76 6.461 3.899 4.693 1.00 0.00 C ATOM 1173 O LYS A 76 7.205 3.105 4.118 1.00 0.00 O ATOM 1174 CB LYS A 76 7.088 6.283 5.389 1.00 0.00 C ATOM 1175 CG LYS A 76 7.550 7.612 4.788 1.00 0.00 C ATOM 1176 CD LYS A 76 7.893 8.621 5.885 1.00 0.00 C ATOM 1177 CE LYS A 76 8.678 9.805 5.316 1.00 0.00 C ATOM 1178 NZ LYS A 76 9.001 10.775 6.386 1.00 0.00 N ATOM 0 H LYS A 76 4.744 6.528 4.636 1.00 0.00 H new ATOM 0 HA LYS A 76 7.108 5.485 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.358 6.470 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.934 5.776 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.423 7.446 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.766 8.018 4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.976 8.979 6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.479 8.132 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.597 9.449 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.094 10.295 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.534 11.572 5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.120 11.127 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.576 10.308 7.116 1.00 0.00 H new ATOM 1192 N VAL A 77 5.612 3.569 5.655 1.00 0.00 N ATOM 1193 CA VAL A 77 5.497 2.195 6.113 1.00 0.00 C ATOM 1194 C VAL A 77 5.264 1.279 4.910 1.00 0.00 C ATOM 1195 O VAL A 77 5.851 0.201 4.824 1.00 0.00 O ATOM 1196 CB VAL A 77 4.395 2.087 7.169 1.00 0.00 C ATOM 1197 CG1 VAL A 77 4.034 0.624 7.437 1.00 0.00 C ATOM 1198 CG2 VAL A 77 4.802 2.797 8.462 1.00 0.00 C ATOM 0 H VAL A 77 4.997 4.230 6.130 1.00 0.00 H new ATOM 0 HA VAL A 77 6.421 1.873 6.592 1.00 0.00 H new ATOM 0 HB VAL A 77 3.508 2.585 6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.249 0.575 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.681 0.162 6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.915 0.092 7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.001 2.705 9.195 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.710 2.341 8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.986 3.851 8.256 1.00 0.00 H new ATOM 1208 N LEU A 78 4.407 1.741 4.012 1.00 0.00 N ATOM 1209 CA LEU A 78 4.090 0.976 2.817 1.00 0.00 C ATOM 1210 C LEU A 78 5.348 0.836 1.958 1.00 0.00 C ATOM 1211 O LEU A 78 5.571 -0.205 1.342 1.00 0.00 O ATOM 1212 CB LEU A 78 2.907 1.603 2.078 1.00 0.00 C ATOM 1213 CG LEU A 78 1.540 1.449 2.748 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.503 2.366 2.095 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.091 -0.013 2.750 1.00 0.00 C ATOM 0 H LEU A 78 3.922 2.635 4.087 1.00 0.00 H new ATOM 0 HA LEU A 78 3.772 -0.032 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.108 2.666 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.853 1.164 1.082 1.00 0.00 H new ATOM 0 HG LEU A 78 1.634 1.758 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.460 2.237 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.824 3.403 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.405 2.111 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.117 -0.094 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.019 -0.373 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.817 -0.616 3.296 1.00 0.00 H new ATOM 1227 N ILE A 79 6.138 1.900 1.943 1.00 0.00 N ATOM 1228 CA ILE A 79 7.368 1.909 1.169 1.00 0.00 C ATOM 1229 C ILE A 79 8.406 1.023 1.860 1.00 0.00 C ATOM 1230 O ILE A 79 9.123 0.271 1.201 1.00 0.00 O ATOM 1231 CB ILE A 79 7.842 3.344 0.934 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.297 3.892 -0.386 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.368 3.436 1.007 1.00 0.00 C ATOM 1234 CD1 ILE A 79 5.794 4.159 -0.291 1.00 0.00 C ATOM 0 H ILE A 79 5.950 2.762 2.455 1.00 0.00 H new ATOM 0 HA ILE A 79 7.198 1.488 0.178 1.00 0.00 H new ATOM 0 HB ILE A 79 7.443 3.971 1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.818 4.814 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.493 3.180 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.679 4.467 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.705 3.114 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.808 2.793 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.433 4.548 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.274 3.230 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.603 4.889 0.495 1.00 0.00 H new ATOM 1246 N LYS A 80 8.455 1.142 3.179 1.00 0.00 N ATOM 1247 CA LYS A 80 9.394 0.361 3.966 1.00 0.00 C ATOM 1248 C LYS A 80 9.023 -1.120 3.874 1.00 0.00 C ATOM 1249 O LYS A 80 9.781 -1.921 3.329 1.00 0.00 O ATOM 1250 CB LYS A 80 9.461 0.890 5.400 1.00 0.00 C ATOM 1251 CG LYS A 80 10.689 0.344 6.130 1.00 0.00 C ATOM 1252 CD LYS A 80 10.503 0.414 7.647 1.00 0.00 C ATOM 1253 CE LYS A 80 10.894 -0.908 8.310 1.00 0.00 C ATOM 1254 NZ LYS A 80 12.007 -0.701 9.263 1.00 0.00 N ATOM 0 H LYS A 80 7.860 1.767 3.722 1.00 0.00 H new ATOM 0 HA LYS A 80 10.403 0.462 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.495 1.979 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.557 0.606 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.866 -0.689 5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.571 0.915 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.110 1.222 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.464 0.648 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.034 -1.328 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.189 -1.630 7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.260 -1.608 9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.832 -0.321 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.713 -0.028 10.000 1.00 0.00 H new ATOM 1268 N ASN A 81 7.856 -1.440 4.415 1.00 0.00 N ATOM 1269 CA ASN A 81 7.375 -2.811 4.400 1.00 0.00 C ATOM 1270 C ASN A 81 7.630 -3.422 3.021 1.00 0.00 C ATOM 1271 O ASN A 81 8.227 -4.491 2.912 1.00 0.00 O ATOM 1272 CB ASN A 81 5.871 -2.870 4.673 1.00 0.00 C ATOM 1273 CG ASN A 81 5.589 -2.968 6.174 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.331 -3.569 6.933 1.00 0.00 O ATOM 1275 ND2 ASN A 81 4.478 -2.346 6.557 1.00 0.00 N ATOM 0 H ASN A 81 7.230 -0.773 4.866 1.00 0.00 H new ATOM 0 HA ASN A 81 7.904 -3.362 5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.389 -1.981 4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.438 -3.730 4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.202 -2.354 7.539 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.902 -1.861 5.869 1.00 0.00 H new ATOM 1282 N TRP A 82 7.163 -2.716 2.001 1.00 0.00 N ATOM 1283 CA TRP A 82 7.333 -3.175 0.633 1.00 0.00 C ATOM 1284 C TRP A 82 8.833 -3.309 0.362 1.00 0.00 C ATOM 1285 O TRP A 82 9.266 -4.250 -0.302 1.00 0.00 O ATOM 1286 CB TRP A 82 6.629 -2.238 -0.351 1.00 0.00 C ATOM 1287 CG TRP A 82 5.103 -2.262 -0.249 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.330 -3.183 0.343 1.00 0.00 C ATOM 1289 CD2 TRP A 82 4.190 -1.279 -0.781 1.00 0.00 C ATOM 1290 NE1 TRP A 82 2.991 -2.866 0.231 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.904 -1.672 -0.474 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.444 -0.097 -1.499 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.769 -0.939 -0.844 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.300 0.624 -1.862 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.998 0.242 -1.560 1.00 0.00 C ATOM 0 H TRP A 82 6.667 -1.830 2.095 1.00 0.00 H new ATOM 0 HA TRP A 82 6.866 -4.150 0.492 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.978 -1.220 -0.181 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.919 -2.509 -1.366 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.707 -4.062 0.844 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.209 -3.409 0.598 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.442 0.229 -1.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.772 -1.267 -0.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.439 1.541 -2.415 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.166 0.854 -1.877 1.00 0.00 H new ATOM 1306 N LYS A 83 9.585 -2.354 0.890 1.00 0.00 N ATOM 1307 CA LYS A 83 11.027 -2.354 0.713 1.00 0.00 C ATOM 1308 C LYS A 83 11.556 -3.781 0.870 1.00 0.00 C ATOM 1309 O LYS A 83 12.382 -4.231 0.077 1.00 0.00 O ATOM 1310 CB LYS A 83 11.683 -1.347 1.661 1.00 0.00 C ATOM 1311 CG LYS A 83 12.845 -0.626 0.976 1.00 0.00 C ATOM 1312 CD LYS A 83 14.189 -1.216 1.409 1.00 0.00 C ATOM 1313 CE LYS A 83 14.850 -1.977 0.259 1.00 0.00 C ATOM 1314 NZ LYS A 83 16.050 -1.254 -0.219 1.00 0.00 N ATOM 0 H LYS A 83 9.223 -1.575 1.440 1.00 0.00 H new ATOM 0 HA LYS A 83 11.287 -2.026 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.943 -0.619 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.044 -1.862 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.740 -0.706 -0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.814 0.436 1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.849 -0.417 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.040 -1.887 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.129 -2.977 0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.141 -2.098 -0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.487 -1.784 -1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.775 -0.308 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.732 -1.161 0.560 1.00 0.00 H new ATOM 1328 N ARG A 84 11.059 -4.453 1.897 1.00 0.00 N ATOM 1329 CA ARG A 84 11.471 -5.819 2.168 1.00 0.00 C ATOM 1330 C ARG A 84 11.311 -6.680 0.913 1.00 0.00 C ATOM 1331 O ARG A 84 12.269 -7.301 0.455 1.00 0.00 O ATOM 1332 CB ARG A 84 10.647 -6.428 3.304 1.00 0.00 C ATOM 1333 CG ARG A 84 11.044 -5.825 4.653 1.00 0.00 C ATOM 1334 CD ARG A 84 9.894 -5.009 5.248 1.00 0.00 C ATOM 1335 NE ARG A 84 10.187 -4.677 6.660 1.00 0.00 N ATOM 1336 CZ ARG A 84 10.112 -5.555 7.670 1.00 0.00 C ATOM 1337 NH1 ARG A 84 9.753 -6.823 7.429 1.00 0.00 N ATOM 1338 NH2 ARG A 84 10.395 -5.164 8.920 1.00 0.00 N ATOM 0 H ARG A 84 10.374 -4.076 2.552 1.00 0.00 H new ATOM 0 HA ARG A 84 12.519 -5.796 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.586 -6.255 3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.794 -7.508 3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.325 -6.621 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.920 -5.188 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.751 -4.094 4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.965 -5.575 5.184 1.00 0.00 H new ATOM 0 HE ARG A 84 10.463 -3.720 6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.537 -7.120 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.696 -7.492 8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.667 -4.198 9.103 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.338 -5.832 9.689 1.00 0.00 H new