USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 864 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 22 SER OG : rot 180:sc= 0.124 USER MOD Set 1.2: A 31 LYS NZ :NH3+ -145:sc= 0.128 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 15 MET CE :methyl -141:sc=-0.000958 (180deg=-0.451) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc=-0.00192 K(o=-0.0019,f=-4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 91:sc= 0.17 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -2.01! C(o=-2!,f=-9!) USER MOD Single : A 50 THR OG1 : rot 90:sc= 0.013 USER MOD Single : A 52 ASN : amide:sc= 0.535 K(o=0.54,f=-5.3!) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ -147:sc= -0.0297 (180deg=-0.984) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 MET CE :methyl -172:sc= -0.122 (180deg=-0.387) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 130:sc=-0.00288 USER MOD Single : B 22 SER OG : rot 180:sc= -0.141 USER MOD Single : B 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00889) USER MOD Single : B 27 ASN : amide:sc= 0.132 K(o=0.13,f=-1.6!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 GLN : amide:sc=-0.00366 X(o=-0.0037,f=-0.0037) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 HIS : +bothHN:sc= -0.713 K(o=-0.71,f=-11!) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 4 5.180 15.183 -1.342 1.00 0.00 N ATOM 54 CA LEU A 4 5.011 13.901 -2.039 1.00 0.00 C ATOM 55 C LEU A 4 5.784 12.753 -1.366 1.00 0.00 C ATOM 56 O LEU A 4 5.246 11.658 -1.220 1.00 0.00 O ATOM 57 CB LEU A 4 5.330 14.073 -3.539 1.00 0.00 C ATOM 58 CG LEU A 4 6.815 14.358 -3.853 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.573 13.094 -4.273 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.965 15.386 -4.971 1.00 0.00 C ATOM 0 HA LEU A 4 3.966 13.599 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.028 13.169 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.726 14.890 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 4 7.240 14.745 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.612 13.346 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.533 12.361 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.113 12.675 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.023 15.561 -5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.488 15.011 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.491 16.321 -4.672 1.00 0.00 H new ATOM 72 N ARG A 5 6.994 13.022 -0.852 1.00 0.00 N ATOM 73 CA ARG A 5 7.778 12.105 -0.001 1.00 0.00 C ATOM 74 C ARG A 5 7.048 11.799 1.308 1.00 0.00 C ATOM 75 O ARG A 5 6.982 10.649 1.741 1.00 0.00 O ATOM 76 CB ARG A 5 9.156 12.749 0.269 1.00 0.00 C ATOM 77 CG ARG A 5 10.317 11.895 -0.259 1.00 0.00 C ATOM 78 CD ARG A 5 11.637 12.684 -0.257 1.00 0.00 C ATOM 79 NE ARG A 5 11.650 13.741 -1.293 1.00 0.00 N ATOM 80 CZ ARG A 5 11.832 13.564 -2.590 1.00 0.00 C ATOM 81 NH1 ARG A 5 12.107 12.396 -3.094 1.00 0.00 N ATOM 82 NH2 ARG A 5 11.731 14.555 -3.421 1.00 0.00 N ATOM 0 H ARG A 5 7.470 13.908 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 5 7.910 11.154 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.191 13.733 -0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.279 12.900 1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.424 11.002 0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.093 11.559 -1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.789 13.135 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.469 12.000 -0.426 1.00 0.00 H new ATOM 0 HE ARG A 5 11.504 14.699 -0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.188 11.583 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.242 12.293 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.508 15.489 -3.076 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.875 14.400 -4.419 1.00 0.00 H new ATOM 96 N GLU A 6 6.448 12.835 1.893 1.00 0.00 N ATOM 97 CA GLU A 6 5.620 12.745 3.100 1.00 0.00 C ATOM 98 C GLU A 6 4.378 11.862 2.892 1.00 0.00 C ATOM 99 O GLU A 6 4.030 11.064 3.761 1.00 0.00 O ATOM 100 CB GLU A 6 5.242 14.172 3.523 1.00 0.00 C ATOM 101 CG GLU A 6 4.700 14.243 4.955 1.00 0.00 C ATOM 102 CD GLU A 6 4.716 15.696 5.475 1.00 0.00 C ATOM 103 OE1 GLU A 6 3.839 16.502 5.078 1.00 0.00 O ATOM 104 OE2 GLU A 6 5.612 16.044 6.283 1.00 0.00 O ATOM 0 H GLU A 6 6.525 13.786 1.533 1.00 0.00 H new ATOM 0 HA GLU A 6 6.189 12.261 3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.118 14.815 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.492 14.563 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.683 13.853 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.302 13.611 5.608 1.00 0.00 H new ATOM 111 N LEU A 7 3.752 11.951 1.712 1.00 0.00 N ATOM 112 CA LEU A 7 2.614 11.105 1.323 1.00 0.00 C ATOM 113 C LEU A 7 3.025 9.632 1.187 1.00 0.00 C ATOM 114 O LEU A 7 2.421 8.770 1.824 1.00 0.00 O ATOM 115 CB LEU A 7 1.986 11.600 0.004 1.00 0.00 C ATOM 116 CG LEU A 7 1.498 13.059 0.000 1.00 0.00 C ATOM 117 CD1 LEU A 7 0.929 13.406 -1.374 1.00 0.00 C ATOM 118 CD2 LEU A 7 0.414 13.310 1.044 1.00 0.00 C ATOM 0 H LEU A 7 4.024 12.620 0.991 1.00 0.00 H new ATOM 0 HA LEU A 7 1.872 11.179 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.720 11.480 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.142 10.954 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 7 2.358 13.684 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.584 14.440 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.704 13.282 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.093 12.744 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.103 14.354 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.443 12.667 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.806 13.088 2.036 1.00 0.00 H new ATOM 130 N TYR A 8 4.078 9.358 0.404 1.00 0.00 N ATOM 131 CA TYR A 8 4.638 8.029 0.098 1.00 0.00 C ATOM 132 C TYR A 8 4.893 7.187 1.348 1.00 0.00 C ATOM 133 O TYR A 8 4.614 5.990 1.348 1.00 0.00 O ATOM 134 CB TYR A 8 5.988 8.260 -0.619 1.00 0.00 C ATOM 135 CG TYR A 8 6.401 7.290 -1.716 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.507 5.908 -1.463 1.00 0.00 C ATOM 137 CD2 TYR A 8 6.776 7.794 -2.979 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.954 5.032 -2.472 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.228 6.922 -3.988 1.00 0.00 C ATOM 140 CZ TYR A 8 7.312 5.537 -3.740 1.00 0.00 C ATOM 141 OH TYR A 8 7.757 4.701 -4.718 1.00 0.00 O ATOM 0 H TYR A 8 4.595 10.103 -0.063 1.00 0.00 H new ATOM 0 HA TYR A 8 3.919 7.484 -0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.967 9.260 -1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.771 8.257 0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.244 5.518 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.716 8.855 -3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.023 3.972 -2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.511 7.315 -4.953 1.00 0.00 H new ATOM 0 HH TYR A 8 7.957 5.219 -5.525 1.00 0.00 H new ATOM 151 N LYS A 9 5.414 7.800 2.416 1.00 0.00 N ATOM 152 CA LYS A 9 5.707 7.088 3.666 1.00 0.00 C ATOM 153 C LYS A 9 4.454 6.523 4.319 1.00 0.00 C ATOM 154 O LYS A 9 4.348 5.308 4.446 1.00 0.00 O ATOM 155 CB LYS A 9 6.540 7.966 4.626 1.00 0.00 C ATOM 156 CG LYS A 9 7.916 7.361 4.941 1.00 0.00 C ATOM 157 CD LYS A 9 8.867 7.357 3.734 1.00 0.00 C ATOM 158 CE LYS A 9 10.226 6.781 4.154 1.00 0.00 C ATOM 159 NZ LYS A 9 11.196 6.776 3.029 1.00 0.00 N ATOM 0 H LYS A 9 5.643 8.794 2.440 1.00 0.00 H new ATOM 0 HA LYS A 9 6.320 6.223 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.675 8.953 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.988 8.105 5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.375 7.923 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.784 6.338 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.442 6.762 2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.992 8.370 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.630 7.368 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.091 5.764 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.101 6.380 3.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.822 6.195 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.344 7.749 2.694 1.00 0.00 H new ATOM 173 N LEU A 10 3.473 7.358 4.643 1.00 0.00 N ATOM 174 CA LEU A 10 2.185 6.914 5.165 1.00 0.00 C ATOM 175 C LEU A 10 1.433 5.979 4.196 1.00 0.00 C ATOM 176 O LEU A 10 0.826 4.998 4.628 1.00 0.00 O ATOM 177 CB LEU A 10 1.351 8.122 5.622 1.00 0.00 C ATOM 178 CG LEU A 10 1.973 8.779 6.875 1.00 0.00 C ATOM 179 CD1 LEU A 10 2.907 9.948 6.563 1.00 0.00 C ATOM 180 CD2 LEU A 10 0.878 9.276 7.821 1.00 0.00 C ATOM 0 H LEU A 10 3.550 8.371 4.550 1.00 0.00 H new ATOM 0 HA LEU A 10 2.373 6.297 6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.290 8.853 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.332 7.803 5.841 1.00 0.00 H new ATOM 0 HG LEU A 10 2.570 7.996 7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.303 10.355 7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.730 9.599 5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.354 10.724 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.335 9.735 8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.259 10.011 7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.258 8.436 8.134 1.00 0.00 H new ATOM 192 N GLU A 11 1.572 6.201 2.887 1.00 0.00 N ATOM 193 CA GLU A 11 1.164 5.272 1.824 1.00 0.00 C ATOM 194 C GLU A 11 1.838 3.887 1.935 1.00 0.00 C ATOM 195 O GLU A 11 1.164 2.873 1.745 1.00 0.00 O ATOM 196 CB GLU A 11 1.421 5.964 0.461 1.00 0.00 C ATOM 197 CG GLU A 11 0.210 6.746 -0.079 1.00 0.00 C ATOM 198 CD GLU A 11 -0.909 5.865 -0.645 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.624 5.078 -0.004 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.348 5.901 -1.809 1.00 0.00 O ATOM 0 H GLU A 11 1.985 7.060 2.523 1.00 0.00 H new ATOM 0 HA GLU A 11 0.101 5.052 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.265 6.646 0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.709 5.209 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.198 7.360 0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.551 7.426 -0.859 1.00 0.00 H new ATOM 207 N GLN A 12 3.117 3.798 2.330 1.00 0.00 N ATOM 208 CA GLN A 12 3.796 2.533 2.601 1.00 0.00 C ATOM 209 C GLN A 12 3.642 2.004 4.036 1.00 0.00 C ATOM 210 O GLN A 12 3.945 0.837 4.284 1.00 0.00 O ATOM 211 CB GLN A 12 5.274 2.666 2.240 1.00 0.00 C ATOM 212 CG GLN A 12 5.440 2.667 0.719 1.00 0.00 C ATOM 213 CD GLN A 12 6.910 2.639 0.303 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.742 3.404 0.774 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.298 1.744 -0.583 1.00 0.00 N ATOM 0 H GLN A 12 3.711 4.615 2.470 1.00 0.00 H new ATOM 0 HA GLN A 12 3.303 1.789 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.678 3.587 2.659 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.839 1.842 2.676 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.928 1.802 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.962 3.554 0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.619 1.098 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.277 1.697 -0.865 1.00 0.00 H new ATOM 224 N GLN A 13 3.134 2.792 4.984 1.00 0.00 N ATOM 225 CA GLN A 13 2.846 2.307 6.336 1.00 0.00 C ATOM 226 C GLN A 13 1.623 1.394 6.334 1.00 0.00 C ATOM 227 O GLN A 13 1.632 0.389 7.042 1.00 0.00 O ATOM 228 CB GLN A 13 2.645 3.477 7.313 1.00 0.00 C ATOM 229 CG GLN A 13 3.888 3.835 8.138 1.00 0.00 C ATOM 230 CD GLN A 13 5.010 4.515 7.358 1.00 0.00 C ATOM 231 OE1 GLN A 13 5.119 5.733 7.316 1.00 0.00 O ATOM 232 NE2 GLN A 13 5.914 3.766 6.759 1.00 0.00 N ATOM 0 H GLN A 13 2.912 3.777 4.839 1.00 0.00 H new ATOM 0 HA GLN A 13 3.706 1.729 6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.333 4.356 6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.831 3.230 7.994 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.586 4.490 8.955 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.281 2.923 8.589 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.834 2.750 6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.694 4.203 6.267 1.00 0.00 H new ATOM 241 N ALA A 14 0.625 1.667 5.481 1.00 0.00 N ATOM 242 CA ALA A 14 -0.440 0.705 5.227 1.00 0.00 C ATOM 243 C ALA A 14 0.125 -0.541 4.528 1.00 0.00 C ATOM 244 O ALA A 14 -0.227 -1.642 4.917 1.00 0.00 O ATOM 245 CB ALA A 14 -1.540 1.392 4.409 1.00 0.00 C ATOM 0 H ALA A 14 0.539 2.541 4.962 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.879 0.363 6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.344 0.683 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.934 2.240 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.125 1.742 3.464 1.00 0.00 H new ATOM 251 N MET A 15 1.053 -0.401 3.574 1.00 0.00 N ATOM 252 CA MET A 15 1.701 -1.530 2.866 1.00 0.00 C ATOM 253 C MET A 15 2.483 -2.469 3.799 1.00 0.00 C ATOM 254 O MET A 15 2.313 -3.686 3.723 1.00 0.00 O ATOM 255 CB MET A 15 2.609 -0.979 1.757 1.00 0.00 C ATOM 256 CG MET A 15 3.093 -2.070 0.792 1.00 0.00 C ATOM 257 SD MET A 15 2.904 -1.644 -0.961 1.00 0.00 S ATOM 258 CE MET A 15 1.095 -1.718 -1.056 1.00 0.00 C ATOM 0 H MET A 15 1.385 0.511 3.262 1.00 0.00 H new ATOM 0 HA MET A 15 0.908 -2.140 2.433 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.069 -0.217 1.196 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.472 -0.490 2.209 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.144 -2.278 0.993 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.542 -2.989 0.993 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.798 -2.165 -2.005 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.712 -2.323 -0.234 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.685 -0.710 -0.986 1.00 0.00 H new ATOM 268 N LYS A 16 3.298 -1.933 4.719 1.00 0.00 N ATOM 269 CA LYS A 16 4.014 -2.735 5.730 1.00 0.00 C ATOM 270 C LYS A 16 3.062 -3.460 6.676 1.00 0.00 C ATOM 271 O LYS A 16 3.273 -4.630 6.992 1.00 0.00 O ATOM 272 CB LYS A 16 4.963 -1.834 6.541 1.00 0.00 C ATOM 273 CG LYS A 16 6.427 -1.916 6.085 1.00 0.00 C ATOM 274 CD LYS A 16 6.679 -1.351 4.678 1.00 0.00 C ATOM 275 CE LYS A 16 8.126 -1.589 4.215 1.00 0.00 C ATOM 276 NZ LYS A 16 9.125 -0.847 5.031 1.00 0.00 N ATOM 0 H LYS A 16 3.481 -0.932 4.786 1.00 0.00 H new ATOM 0 HA LYS A 16 4.586 -3.493 5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.624 -0.801 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.903 -2.111 7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.049 -1.376 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.746 -2.958 6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.991 -1.815 3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.467 -0.282 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.346 -2.655 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.222 -1.289 3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.081 -1.045 4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.936 0.174 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.057 -1.150 6.023 1.00 0.00 H new ATOM 290 N LEU A 17 1.994 -2.783 7.085 1.00 0.00 N ATOM 291 CA LEU A 17 0.896 -3.386 7.838 1.00 0.00 C ATOM 292 C LEU A 17 0.195 -4.504 7.052 1.00 0.00 C ATOM 293 O LEU A 17 -0.009 -5.603 7.564 1.00 0.00 O ATOM 294 CB LEU A 17 -0.079 -2.258 8.203 1.00 0.00 C ATOM 295 CG LEU A 17 0.077 -1.787 9.653 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.709 -0.497 9.835 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.446 -2.823 10.650 1.00 0.00 C ATOM 0 H LEU A 17 1.863 -1.788 6.902 1.00 0.00 H new ATOM 0 HA LEU A 17 1.284 -3.864 8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.081 -1.414 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.101 -2.602 8.045 1.00 0.00 H new ATOM 0 HG LEU A 17 1.139 -1.636 9.846 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.607 -0.151 10.863 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.323 0.263 9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.761 -0.678 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.316 -2.449 11.665 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.504 -3.006 10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.109 -3.754 10.533 1.00 0.00 H new ATOM 309 N TYR A 18 -0.119 -4.243 5.784 1.00 0.00 N ATOM 310 CA TYR A 18 -0.760 -5.159 4.851 1.00 0.00 C ATOM 311 C TYR A 18 0.059 -6.431 4.589 1.00 0.00 C ATOM 312 O TYR A 18 -0.536 -7.502 4.461 1.00 0.00 O ATOM 313 CB TYR A 18 -1.123 -4.391 3.561 1.00 0.00 C ATOM 314 CG TYR A 18 -2.492 -3.720 3.588 1.00 0.00 C ATOM 315 CD1 TYR A 18 -3.624 -4.458 3.982 1.00 0.00 C ATOM 316 CD2 TYR A 18 -2.646 -2.361 3.239 1.00 0.00 C ATOM 317 CE1 TYR A 18 -4.879 -3.836 4.106 1.00 0.00 C ATOM 318 CE2 TYR A 18 -3.895 -1.725 3.385 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.012 -2.458 3.847 1.00 0.00 C ATOM 320 OH TYR A 18 -6.212 -1.846 4.044 1.00 0.00 O ATOM 0 H TYR A 18 0.079 -3.337 5.360 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.679 -5.530 5.305 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.363 -3.631 3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.088 -5.083 2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.528 -5.513 4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.802 -1.805 2.858 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.742 -4.415 4.400 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.999 -0.677 3.144 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.135 -0.895 3.820 1.00 0.00 H new ATOM 330 N ARG A 19 1.400 -6.371 4.621 1.00 0.00 N ATOM 331 CA ARG A 19 2.276 -7.564 4.586 1.00 0.00 C ATOM 332 C ARG A 19 2.099 -8.527 5.774 1.00 0.00 C ATOM 333 O ARG A 19 2.521 -9.680 5.682 1.00 0.00 O ATOM 334 CB ARG A 19 3.747 -7.128 4.452 1.00 0.00 C ATOM 335 CG ARG A 19 4.077 -6.636 3.033 1.00 0.00 C ATOM 336 CD ARG A 19 5.498 -6.065 2.925 1.00 0.00 C ATOM 337 NE ARG A 19 6.532 -7.073 3.240 1.00 0.00 N ATOM 338 CZ ARG A 19 7.842 -6.898 3.218 1.00 0.00 C ATOM 339 NH1 ARG A 19 8.386 -5.775 2.840 1.00 0.00 N ATOM 340 NH2 ARG A 19 8.640 -7.861 3.579 1.00 0.00 N ATOM 0 H ARG A 19 1.914 -5.492 4.672 1.00 0.00 H new ATOM 0 HA ARG A 19 1.969 -8.137 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.956 -6.334 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.397 -7.965 4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.966 -7.462 2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.358 -5.871 2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.659 -5.685 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.600 -5.219 3.604 1.00 0.00 H new ATOM 0 HE ARG A 19 6.200 -8.001 3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.796 -4.995 2.548 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.401 -5.676 2.836 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.255 -8.756 3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.650 -7.720 3.560 1.00 0.00 H new ATOM 354 N GLU A 20 1.450 -8.102 6.860 1.00 0.00 N ATOM 355 CA GLU A 20 1.198 -8.909 8.069 1.00 0.00 C ATOM 356 C GLU A 20 -0.287 -9.214 8.263 1.00 0.00 C ATOM 357 O GLU A 20 -0.670 -10.346 8.558 1.00 0.00 O ATOM 358 CB GLU A 20 1.722 -8.139 9.289 1.00 0.00 C ATOM 359 CG GLU A 20 2.156 -9.079 10.421 1.00 0.00 C ATOM 360 CD GLU A 20 2.709 -8.285 11.620 1.00 0.00 C ATOM 361 OE1 GLU A 20 3.936 -8.017 11.663 1.00 0.00 O ATOM 362 OE2 GLU A 20 1.926 -7.934 12.535 1.00 0.00 O ATOM 0 H GLU A 20 1.071 -7.158 6.930 1.00 0.00 H new ATOM 0 HA GLU A 20 1.714 -9.862 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.566 -7.518 8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.945 -7.467 9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.307 -9.683 10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.917 -9.767 10.054 1.00 0.00 H new ATOM 369 N ALA A 21 -1.135 -8.220 8.005 1.00 0.00 N ATOM 370 CA ALA A 21 -2.583 -8.401 7.908 1.00 0.00 C ATOM 371 C ALA A 21 -2.966 -9.472 6.866 1.00 0.00 C ATOM 372 O ALA A 21 -3.887 -10.246 7.108 1.00 0.00 O ATOM 373 CB ALA A 21 -3.242 -7.052 7.611 1.00 0.00 C ATOM 0 H ALA A 21 -0.834 -7.257 7.856 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.953 -8.771 8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.322 -7.183 7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.015 -6.351 8.415 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.859 -6.660 6.669 1.00 0.00 H new ATOM 379 N SER A 22 -2.224 -9.581 5.755 1.00 0.00 N ATOM 380 CA SER A 22 -2.366 -10.659 4.761 1.00 0.00 C ATOM 381 C SER A 22 -2.102 -12.061 5.336 1.00 0.00 C ATOM 382 O SER A 22 -2.764 -13.024 4.944 1.00 0.00 O ATOM 383 CB SER A 22 -1.417 -10.369 3.590 1.00 0.00 C ATOM 384 OG SER A 22 -1.565 -11.292 2.527 1.00 0.00 O ATOM 0 H SER A 22 -1.494 -8.910 5.516 1.00 0.00 H new ATOM 0 HA SER A 22 -3.403 -10.670 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.601 -9.361 3.219 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.387 -10.394 3.947 1.00 0.00 H new ATOM 0 HG SER A 22 -0.941 -11.064 1.806 1.00 0.00 H new ATOM 390 N GLU A 23 -1.189 -12.195 6.309 1.00 0.00 N ATOM 391 CA GLU A 23 -0.941 -13.464 7.011 1.00 0.00 C ATOM 392 C GLU A 23 -2.106 -13.834 7.944 1.00 0.00 C ATOM 393 O GLU A 23 -2.586 -14.970 7.930 1.00 0.00 O ATOM 394 CB GLU A 23 0.365 -13.362 7.814 1.00 0.00 C ATOM 395 CG GLU A 23 0.918 -14.738 8.201 1.00 0.00 C ATOM 396 CD GLU A 23 2.225 -14.603 9.008 1.00 0.00 C ATOM 397 OE1 GLU A 23 3.320 -14.540 8.395 1.00 0.00 O ATOM 398 OE2 GLU A 23 2.169 -14.572 10.261 1.00 0.00 O ATOM 0 H GLU A 23 -0.601 -11.427 6.632 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.854 -14.253 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.110 -12.826 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.189 -12.776 8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.177 -15.279 8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.101 -15.326 7.302 1.00 0.00 H new ATOM 405 N LYS A 24 -2.588 -12.862 8.731 1.00 0.00 N ATOM 406 CA LYS A 24 -3.732 -13.039 9.648 1.00 0.00 C ATOM 407 C LYS A 24 -5.047 -13.315 8.903 1.00 0.00 C ATOM 408 O LYS A 24 -5.817 -14.190 9.300 1.00 0.00 O ATOM 409 CB LYS A 24 -3.857 -11.816 10.587 1.00 0.00 C ATOM 410 CG LYS A 24 -3.787 -12.199 12.076 1.00 0.00 C ATOM 411 CD LYS A 24 -5.003 -13.012 12.560 1.00 0.00 C ATOM 412 CE LYS A 24 -4.812 -13.579 13.976 1.00 0.00 C ATOM 413 NZ LYS A 24 -4.746 -12.522 15.020 1.00 0.00 N ATOM 0 H LYS A 24 -2.194 -11.921 8.752 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.536 -13.925 10.252 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.061 -11.107 10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.801 -11.308 10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.880 -12.778 12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.706 -11.291 12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.889 -12.377 12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.186 -13.832 11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.635 -14.257 14.204 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.896 -14.169 14.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.617 -12.963 15.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.945 -11.889 14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.630 -11.974 15.016 1.00 0.00 H new ATOM 427 N ALA A 25 -5.280 -12.619 7.791 1.00 0.00 N ATOM 428 CA ALA A 25 -6.472 -12.711 6.946 1.00 0.00 C ATOM 429 C ALA A 25 -6.405 -13.838 5.889 1.00 0.00 C ATOM 430 O ALA A 25 -6.970 -13.689 4.805 1.00 0.00 O ATOM 431 CB ALA A 25 -6.690 -11.337 6.294 1.00 0.00 C ATOM 0 H ALA A 25 -4.607 -11.940 7.436 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.320 -12.982 7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.573 -11.373 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.833 -10.585 7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.819 -11.077 5.693 1.00 0.00 H new ATOM 437 N ARG A 26 -5.709 -14.956 6.156 1.00 0.00 N ATOM 438 CA ARG A 26 -5.487 -16.057 5.194 1.00 0.00 C ATOM 439 C ARG A 26 -6.759 -16.753 4.668 1.00 0.00 C ATOM 440 O ARG A 26 -6.686 -17.485 3.682 1.00 0.00 O ATOM 441 CB ARG A 26 -4.429 -17.032 5.754 1.00 0.00 C ATOM 442 CG ARG A 26 -4.671 -17.638 7.153 1.00 0.00 C ATOM 443 CD ARG A 26 -5.985 -18.420 7.257 1.00 0.00 C ATOM 444 NE ARG A 26 -5.958 -19.405 8.357 1.00 0.00 N ATOM 445 CZ ARG A 26 -6.694 -20.501 8.458 1.00 0.00 C ATOM 446 NH1 ARG A 26 -7.573 -20.837 7.554 1.00 0.00 N ATOM 447 NH2 ARG A 26 -6.559 -21.294 9.482 1.00 0.00 N ATOM 0 H ARG A 26 -5.275 -15.126 7.063 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.096 -15.600 4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.326 -17.855 5.047 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.473 -16.510 5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.842 -18.300 7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.674 -16.837 7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.809 -17.724 7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.176 -18.934 6.315 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.304 -19.222 9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.712 -20.247 6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.121 -21.690 7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.883 -21.073 10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.129 -22.137 9.553 1.00 0.00 H new ATOM 461 N ASN A 27 -7.915 -16.532 5.300 1.00 0.00 N ATOM 462 CA ASN A 27 -9.230 -16.982 4.828 1.00 0.00 C ATOM 463 C ASN A 27 -9.608 -16.276 3.500 1.00 0.00 C ATOM 464 O ASN A 27 -9.534 -15.044 3.435 1.00 0.00 O ATOM 465 CB ASN A 27 -10.247 -16.692 5.951 1.00 0.00 C ATOM 466 CG ASN A 27 -11.649 -17.182 5.621 1.00 0.00 C ATOM 467 OD1 ASN A 27 -12.269 -16.757 4.660 1.00 0.00 O ATOM 468 ND2 ASN A 27 -12.191 -18.099 6.390 1.00 0.00 N ATOM 0 H ASN A 27 -7.964 -16.020 6.181 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.222 -18.050 4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.909 -17.167 6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.277 -15.619 6.138 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.125 -18.452 6.182 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.678 -18.458 7.195 1.00 0.00 H new ATOM 475 N PRO A 28 -10.046 -16.999 2.448 1.00 0.00 N ATOM 476 CA PRO A 28 -10.213 -16.440 1.102 1.00 0.00 C ATOM 477 C PRO A 28 -11.274 -15.331 1.000 1.00 0.00 C ATOM 478 O PRO A 28 -11.175 -14.479 0.117 1.00 0.00 O ATOM 479 CB PRO A 28 -10.526 -17.633 0.192 1.00 0.00 C ATOM 480 CG PRO A 28 -11.128 -18.668 1.139 1.00 0.00 C ATOM 481 CD PRO A 28 -10.383 -18.414 2.447 1.00 0.00 C ATOM 0 HA PRO A 28 -9.300 -15.927 0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.225 -17.360 -0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.627 -18.011 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.203 -18.532 1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.972 -19.684 0.777 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.005 -18.668 3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.485 -19.029 2.511 1.00 0.00 H new ATOM 489 N GLU A 29 -12.243 -15.286 1.922 1.00 0.00 N ATOM 490 CA GLU A 29 -13.296 -14.258 1.987 1.00 0.00 C ATOM 491 C GLU A 29 -12.759 -12.835 2.208 1.00 0.00 C ATOM 492 O GLU A 29 -13.378 -11.856 1.789 1.00 0.00 O ATOM 493 CB GLU A 29 -14.245 -14.616 3.140 1.00 0.00 C ATOM 494 CG GLU A 29 -15.696 -14.164 2.926 1.00 0.00 C ATOM 495 CD GLU A 29 -16.391 -14.959 1.802 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.891 -16.081 2.063 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.456 -14.465 0.650 1.00 0.00 O ATOM 0 H GLU A 29 -12.321 -15.981 2.665 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.802 -14.252 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.231 -15.696 3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.868 -14.166 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.254 -14.286 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.712 -13.102 2.682 1.00 0.00 H new ATOM 504 N LYS A 30 -11.591 -12.739 2.853 1.00 0.00 N ATOM 505 CA LYS A 30 -10.874 -11.495 3.175 1.00 0.00 C ATOM 506 C LYS A 30 -9.498 -11.397 2.515 1.00 0.00 C ATOM 507 O LYS A 30 -9.128 -10.301 2.091 1.00 0.00 O ATOM 508 CB LYS A 30 -10.871 -11.300 4.704 1.00 0.00 C ATOM 509 CG LYS A 30 -10.363 -9.922 5.176 1.00 0.00 C ATOM 510 CD LYS A 30 -10.901 -9.532 6.563 1.00 0.00 C ATOM 511 CE LYS A 30 -10.604 -10.590 7.635 1.00 0.00 C ATOM 512 NZ LYS A 30 -11.058 -10.151 8.982 1.00 0.00 N ATOM 0 H LYS A 30 -11.094 -13.566 3.182 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.407 -10.652 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.885 -11.446 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.251 -12.075 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.273 -9.931 5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.657 -9.163 4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.460 -8.582 6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.978 -9.378 6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.099 -11.525 7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.533 -10.792 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.841 -10.891 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.567 -9.273 9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.084 -9.982 8.965 1.00 0.00 H new ATOM 526 N LYS A 31 -8.816 -12.522 2.261 1.00 0.00 N ATOM 527 CA LYS A 31 -7.598 -12.594 1.423 1.00 0.00 C ATOM 528 C LYS A 31 -7.799 -12.060 0.000 1.00 0.00 C ATOM 529 O LYS A 31 -6.860 -11.537 -0.595 1.00 0.00 O ATOM 530 CB LYS A 31 -7.055 -14.036 1.401 1.00 0.00 C ATOM 531 CG LYS A 31 -5.583 -14.180 0.981 1.00 0.00 C ATOM 532 CD LYS A 31 -4.602 -13.523 1.966 1.00 0.00 C ATOM 533 CE LYS A 31 -3.151 -13.940 1.694 1.00 0.00 C ATOM 534 NZ LYS A 31 -2.607 -13.306 0.466 1.00 0.00 N ATOM 0 H LYS A 31 -9.096 -13.428 2.637 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.862 -11.935 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.175 -14.467 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.669 -14.627 0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.341 -15.239 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.449 -13.736 -0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.687 -12.439 1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.873 -13.797 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.530 -13.667 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.099 -15.024 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.962 -13.968 -0.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.389 -13.063 -0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.088 -12.442 0.722 1.00 0.00 H new ATOM 548 N SER A 32 -9.030 -12.118 -0.507 1.00 0.00 N ATOM 549 CA SER A 32 -9.422 -11.589 -1.829 1.00 0.00 C ATOM 550 C SER A 32 -10.100 -10.210 -1.776 1.00 0.00 C ATOM 551 O SER A 32 -10.540 -9.699 -2.806 1.00 0.00 O ATOM 552 CB SER A 32 -10.330 -12.588 -2.564 1.00 0.00 C ATOM 553 OG SER A 32 -9.782 -13.898 -2.558 1.00 0.00 O ATOM 0 H SER A 32 -9.808 -12.544 -0.003 1.00 0.00 H new ATOM 0 HA SER A 32 -8.490 -11.454 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.312 -12.602 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.475 -12.259 -3.593 1.00 0.00 H new ATOM 0 HG SER A 32 -10.113 -14.387 -1.776 1.00 0.00 H new ATOM 559 N VAL A 33 -10.149 -9.585 -0.594 1.00 0.00 N ATOM 560 CA VAL A 33 -10.686 -8.227 -0.378 1.00 0.00 C ATOM 561 C VAL A 33 -9.558 -7.259 -0.033 1.00 0.00 C ATOM 562 O VAL A 33 -9.468 -6.206 -0.667 1.00 0.00 O ATOM 563 CB VAL A 33 -11.791 -8.220 0.699 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.280 -6.807 1.042 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.008 -9.016 0.214 1.00 0.00 C ATOM 0 H VAL A 33 -9.808 -10.017 0.265 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.148 -7.891 -1.307 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.345 -8.667 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.056 -6.866 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.446 -6.215 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.686 -6.335 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.781 -9.004 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.397 -8.565 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.713 -10.046 0.013 1.00 0.00 H new ATOM 575 N LEU A 34 -8.626 -7.619 0.866 1.00 0.00 N ATOM 576 CA LEU A 34 -7.452 -6.774 1.098 1.00 0.00 C ATOM 577 C LEU A 34 -6.508 -6.740 -0.129 1.00 0.00 C ATOM 578 O LEU A 34 -5.780 -5.767 -0.319 1.00 0.00 O ATOM 579 CB LEU A 34 -6.815 -7.109 2.461 1.00 0.00 C ATOM 580 CG LEU A 34 -5.641 -8.081 2.405 1.00 0.00 C ATOM 581 CD1 LEU A 34 -4.917 -8.138 3.750 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.022 -9.508 2.051 1.00 0.00 C ATOM 0 H LEU A 34 -8.663 -8.469 1.429 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.752 -5.730 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.477 -6.182 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.583 -7.529 3.110 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.006 -7.687 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.084 -8.838 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.540 -7.147 4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.610 -8.470 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.127 -10.130 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.718 -9.894 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.495 -9.525 1.069 1.00 0.00 H new ATOM 594 N GLN A 35 -6.576 -7.748 -1.014 1.00 0.00 N ATOM 595 CA GLN A 35 -5.853 -7.764 -2.290 1.00 0.00 C ATOM 596 C GLN A 35 -6.283 -6.621 -3.235 1.00 0.00 C ATOM 597 O GLN A 35 -5.472 -6.108 -4.005 1.00 0.00 O ATOM 598 CB GLN A 35 -6.062 -9.139 -2.953 1.00 0.00 C ATOM 599 CG GLN A 35 -5.273 -9.383 -4.252 1.00 0.00 C ATOM 600 CD GLN A 35 -3.763 -9.506 -4.028 1.00 0.00 C ATOM 601 OE1 GLN A 35 -3.060 -8.547 -3.740 1.00 0.00 O ATOM 602 NE2 GLN A 35 -3.200 -10.690 -4.151 1.00 0.00 N ATOM 0 H GLN A 35 -7.142 -8.583 -0.859 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.794 -7.599 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.791 -9.913 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.124 -9.261 -3.167 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.639 -10.294 -4.726 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.465 -8.564 -4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.768 -11.503 -4.391 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.196 -10.795 -4.007 1.00 0.00 H new ATOM 611 N LYS A 36 -7.550 -6.186 -3.173 1.00 0.00 N ATOM 612 CA LYS A 36 -8.083 -5.123 -4.041 1.00 0.00 C ATOM 613 C LYS A 36 -7.574 -3.734 -3.637 1.00 0.00 C ATOM 614 O LYS A 36 -7.197 -2.946 -4.502 1.00 0.00 O ATOM 615 CB LYS A 36 -9.618 -5.216 -4.044 1.00 0.00 C ATOM 616 CG LYS A 36 -10.245 -4.482 -5.236 1.00 0.00 C ATOM 617 CD LYS A 36 -11.770 -4.665 -5.240 1.00 0.00 C ATOM 618 CE LYS A 36 -12.388 -3.965 -6.457 1.00 0.00 C ATOM 619 NZ LYS A 36 -13.858 -4.179 -6.521 1.00 0.00 N ATOM 0 H LYS A 36 -8.236 -6.562 -2.518 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.719 -5.270 -5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.916 -6.264 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.007 -4.796 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.000 -3.421 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.825 -4.863 -6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.015 -5.727 -5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.194 -4.257 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.177 -2.897 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.924 -4.342 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.244 -3.692 -7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.058 -5.197 -6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.302 -3.797 -5.662 1.00 0.00 H new ATOM 633 N ILE A 37 -7.460 -3.479 -2.328 1.00 0.00 N ATOM 634 CA ILE A 37 -6.680 -2.351 -1.788 1.00 0.00 C ATOM 635 C ILE A 37 -5.215 -2.492 -2.219 1.00 0.00 C ATOM 636 O ILE A 37 -4.682 -1.545 -2.777 1.00 0.00 O ATOM 637 CB ILE A 37 -6.804 -2.303 -0.246 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.151 -1.772 0.278 1.00 0.00 C ATOM 639 CG2 ILE A 37 -5.709 -1.434 0.395 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.724 -2.646 1.403 1.00 0.00 C ATOM 0 H ILE A 37 -7.906 -4.049 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.072 -1.414 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.705 -3.350 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.020 -0.753 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.866 -1.727 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.835 -1.429 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.729 -1.841 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.785 -0.415 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.674 -2.230 1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.882 -3.659 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.023 -2.670 2.238 1.00 0.00 H new ATOM 652 N LEU A 38 -4.562 -3.646 -2.029 1.00 0.00 N ATOM 653 CA LEU A 38 -3.155 -3.825 -2.425 1.00 0.00 C ATOM 654 C LEU A 38 -2.887 -3.472 -3.899 1.00 0.00 C ATOM 655 O LEU A 38 -1.884 -2.820 -4.192 1.00 0.00 O ATOM 656 CB LEU A 38 -2.689 -5.260 -2.114 1.00 0.00 C ATOM 657 CG LEU A 38 -2.299 -5.506 -0.647 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.060 -6.997 -0.408 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.011 -4.754 -0.302 1.00 0.00 C ATOM 0 H LEU A 38 -4.984 -4.471 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.573 -3.119 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.486 -5.953 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.833 -5.495 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.116 -5.150 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.784 -7.159 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.971 -7.552 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.254 -7.345 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.750 -4.939 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.203 -5.101 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.162 -3.685 -0.454 1.00 0.00 H new ATOM 671 N GLU A 39 -3.787 -3.828 -4.822 1.00 0.00 N ATOM 672 CA GLU A 39 -3.654 -3.457 -6.237 1.00 0.00 C ATOM 673 C GLU A 39 -3.831 -1.951 -6.492 1.00 0.00 C ATOM 674 O GLU A 39 -3.068 -1.352 -7.253 1.00 0.00 O ATOM 675 CB GLU A 39 -4.645 -4.293 -7.066 1.00 0.00 C ATOM 676 CG GLU A 39 -4.493 -4.088 -8.578 1.00 0.00 C ATOM 677 CD GLU A 39 -5.442 -5.018 -9.359 1.00 0.00 C ATOM 678 OE1 GLU A 39 -5.044 -6.160 -9.693 1.00 0.00 O ATOM 679 OE2 GLU A 39 -6.593 -4.611 -9.658 1.00 0.00 O ATOM 0 H GLU A 39 -4.621 -4.376 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.633 -3.678 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.503 -5.348 -6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.662 -4.035 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.706 -3.049 -8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.462 -4.283 -8.873 1.00 0.00 H new ATOM 686 N ASP A 40 -4.781 -1.316 -5.810 1.00 0.00 N ATOM 687 CA ASP A 40 -4.958 0.130 -5.788 1.00 0.00 C ATOM 688 C ASP A 40 -3.735 0.855 -5.189 1.00 0.00 C ATOM 689 O ASP A 40 -3.309 1.882 -5.715 1.00 0.00 O ATOM 690 CB ASP A 40 -6.223 0.398 -4.960 1.00 0.00 C ATOM 691 CG ASP A 40 -7.544 0.425 -5.744 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.571 0.228 -6.983 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.579 0.653 -5.074 1.00 0.00 O ATOM 0 H ASP A 40 -5.468 -1.810 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.058 0.517 -6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.297 -0.367 -4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.105 1.355 -4.451 1.00 0.00 H new ATOM 698 N GLU A 41 -3.124 0.321 -4.125 1.00 0.00 N ATOM 699 CA GLU A 41 -1.978 0.965 -3.463 1.00 0.00 C ATOM 700 C GLU A 41 -0.700 0.832 -4.304 1.00 0.00 C ATOM 701 O GLU A 41 0.091 1.772 -4.383 1.00 0.00 O ATOM 702 CB GLU A 41 -1.724 0.424 -2.038 1.00 0.00 C ATOM 703 CG GLU A 41 -2.833 0.575 -0.972 1.00 0.00 C ATOM 704 CD GLU A 41 -3.375 1.987 -0.725 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.846 2.986 -1.275 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.381 2.147 0.021 1.00 0.00 O ATOM 0 H GLU A 41 -3.405 -0.562 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.241 2.019 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.493 -0.638 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.829 0.914 -1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.669 -0.063 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.449 0.190 -0.027 1.00 0.00 H new ATOM 713 N GLU A 42 -0.518 -0.290 -5.006 1.00 0.00 N ATOM 714 CA GLU A 42 0.539 -0.445 -6.012 1.00 0.00 C ATOM 715 C GLU A 42 0.412 0.595 -7.141 1.00 0.00 C ATOM 716 O GLU A 42 1.417 1.162 -7.578 1.00 0.00 O ATOM 717 CB GLU A 42 0.521 -1.885 -6.554 1.00 0.00 C ATOM 718 CG GLU A 42 1.692 -2.174 -7.502 1.00 0.00 C ATOM 719 CD GLU A 42 1.714 -3.657 -7.919 1.00 0.00 C ATOM 720 OE1 GLU A 42 1.053 -4.022 -8.923 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.400 -4.470 -7.253 1.00 0.00 O ATOM 0 H GLU A 42 -1.101 -1.119 -4.893 1.00 0.00 H new ATOM 0 HA GLU A 42 1.504 -0.261 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.554 -2.584 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.418 -2.060 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.610 -1.545 -8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.632 -1.916 -7.014 1.00 0.00 H new ATOM 728 N LYS A 43 -0.819 0.909 -7.569 1.00 0.00 N ATOM 729 CA LYS A 43 -1.083 1.950 -8.576 1.00 0.00 C ATOM 730 C LYS A 43 -0.737 3.355 -8.075 1.00 0.00 C ATOM 731 O LYS A 43 -0.166 4.141 -8.826 1.00 0.00 O ATOM 732 CB LYS A 43 -2.544 1.875 -9.064 1.00 0.00 C ATOM 733 CG LYS A 43 -2.667 2.121 -10.577 1.00 0.00 C ATOM 734 CD LYS A 43 -2.191 0.910 -11.406 1.00 0.00 C ATOM 735 CE LYS A 43 -2.140 1.195 -12.914 1.00 0.00 C ATOM 736 NZ LYS A 43 -3.490 1.364 -13.514 1.00 0.00 N ATOM 0 H LYS A 43 -1.662 0.448 -7.227 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.424 1.753 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.955 0.895 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.142 2.612 -8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.705 2.342 -10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.081 2.998 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.200 0.611 -11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.858 0.068 -11.224 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.554 2.097 -13.089 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.624 0.377 -13.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.396 1.554 -14.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.044 0.495 -13.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.976 2.162 -13.056 1.00 0.00 H new ATOM 750 N HIS A 44 -0.993 3.672 -6.803 1.00 0.00 N ATOM 751 CA HIS A 44 -0.566 4.911 -6.187 1.00 0.00 C ATOM 752 C HIS A 44 0.958 5.030 -6.161 1.00 0.00 C ATOM 753 O HIS A 44 1.489 6.069 -6.540 1.00 0.00 O ATOM 754 CB HIS A 44 -1.152 4.940 -4.777 1.00 0.00 C ATOM 755 CG HIS A 44 -2.657 4.882 -4.669 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.384 4.685 -3.480 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.522 4.981 -5.717 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.678 4.637 -3.881 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.777 4.800 -5.210 1.00 0.00 N ATOM 0 H HIS A 44 -1.510 3.060 -6.172 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.923 5.763 -6.765 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.738 4.101 -4.219 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.810 5.850 -4.285 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.020 4.598 -2.531 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.265 5.167 -6.749 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.518 4.487 -3.219 1.00 0.00 H new ATOM 767 N ILE A 45 1.663 3.958 -5.780 1.00 0.00 N ATOM 768 CA ILE A 45 3.132 3.888 -5.794 1.00 0.00 C ATOM 769 C ILE A 45 3.709 4.062 -7.212 1.00 0.00 C ATOM 770 O ILE A 45 4.700 4.776 -7.364 1.00 0.00 O ATOM 771 CB ILE A 45 3.607 2.598 -5.071 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.935 2.873 -3.583 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.852 1.950 -5.703 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.738 3.281 -2.715 1.00 0.00 C ATOM 0 H ILE A 45 1.223 3.100 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 45 3.533 4.732 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 45 2.768 1.909 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.385 1.977 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.686 3.662 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.121 1.055 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.636 1.679 -6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.682 2.656 -5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.072 3.451 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.298 4.197 -3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.993 2.486 -2.726 1.00 0.00 H new ATOM 786 N GLU A 46 3.085 3.505 -8.259 1.00 0.00 N ATOM 787 CA GLU A 46 3.480 3.755 -9.652 1.00 0.00 C ATOM 788 C GLU A 46 3.484 5.251 -9.989 1.00 0.00 C ATOM 789 O GLU A 46 4.458 5.767 -10.541 1.00 0.00 O ATOM 790 CB GLU A 46 2.534 3.026 -10.622 1.00 0.00 C ATOM 791 CG GLU A 46 2.891 1.567 -10.898 1.00 0.00 C ATOM 792 CD GLU A 46 4.146 1.441 -11.787 1.00 0.00 C ATOM 793 OE1 GLU A 46 4.027 1.564 -13.031 1.00 0.00 O ATOM 794 OE2 GLU A 46 5.257 1.211 -11.251 1.00 0.00 O ATOM 0 H GLU A 46 2.293 2.869 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 46 4.495 3.373 -9.765 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.522 3.067 -10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.521 3.567 -11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.061 1.050 -9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.050 1.073 -11.385 1.00 0.00 H new ATOM 801 N TRP A 47 2.413 5.963 -9.631 1.00 0.00 N ATOM 802 CA TRP A 47 2.275 7.379 -9.931 1.00 0.00 C ATOM 803 C TRP A 47 3.199 8.237 -9.063 1.00 0.00 C ATOM 804 O TRP A 47 3.851 9.149 -9.567 1.00 0.00 O ATOM 805 CB TRP A 47 0.814 7.805 -9.699 1.00 0.00 C ATOM 806 CG TRP A 47 -0.303 6.996 -10.300 1.00 0.00 C ATOM 807 CD1 TRP A 47 -0.235 6.222 -11.407 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.683 6.869 -9.824 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.457 5.614 -11.629 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.390 5.983 -10.688 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.411 7.412 -8.744 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.740 5.650 -10.492 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.770 7.099 -8.541 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.434 6.213 -9.407 1.00 0.00 C ATOM 0 H TRP A 47 1.620 5.569 -9.125 1.00 0.00 H new ATOM 0 HA TRP A 47 2.557 7.533 -10.972 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.651 7.835 -8.622 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.710 8.826 -10.066 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.642 6.097 -12.025 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.644 4.970 -12.397 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.916 8.083 -8.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.239 4.970 -11.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.305 7.543 -7.714 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.472 5.966 -9.240 1.00 0.00 H new ATOM 825 N LEU A 48 3.301 7.915 -7.772 1.00 0.00 N ATOM 826 CA LEU A 48 4.221 8.533 -6.820 1.00 0.00 C ATOM 827 C LEU A 48 5.675 8.464 -7.299 1.00 0.00 C ATOM 828 O LEU A 48 6.392 9.458 -7.223 1.00 0.00 O ATOM 829 CB LEU A 48 4.039 7.829 -5.463 1.00 0.00 C ATOM 830 CG LEU A 48 2.847 8.344 -4.642 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.551 7.385 -3.490 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.119 9.724 -4.033 1.00 0.00 C ATOM 0 H LEU A 48 2.723 7.190 -7.347 1.00 0.00 H new ATOM 0 HA LEU A 48 3.991 9.594 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.913 6.760 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.950 7.952 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 48 2.003 8.414 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.705 7.759 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.311 6.400 -3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.426 7.312 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.249 10.047 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.985 9.666 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.317 10.441 -4.830 1.00 0.00 H new ATOM 844 N GLU A 49 6.101 7.328 -7.852 1.00 0.00 N ATOM 845 CA GLU A 49 7.433 7.166 -8.456 1.00 0.00 C ATOM 846 C GLU A 49 7.622 8.030 -9.708 1.00 0.00 C ATOM 847 O GLU A 49 8.604 8.767 -9.815 1.00 0.00 O ATOM 848 CB GLU A 49 7.677 5.693 -8.813 1.00 0.00 C ATOM 849 CG GLU A 49 9.175 5.402 -8.974 1.00 0.00 C ATOM 850 CD GLU A 49 9.433 3.927 -9.336 1.00 0.00 C ATOM 851 OE1 GLU A 49 9.464 3.593 -10.546 1.00 0.00 O ATOM 852 OE2 GLU A 49 9.638 3.094 -8.419 1.00 0.00 O ATOM 0 H GLU A 49 5.530 6.484 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 49 8.158 7.498 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.261 5.054 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.155 5.449 -9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.589 6.045 -9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.695 5.646 -8.047 1.00 0.00 H new ATOM 859 N THR A 50 6.659 7.993 -10.631 1.00 0.00 N ATOM 860 CA THR A 50 6.616 8.837 -11.835 1.00 0.00 C ATOM 861 C THR A 50 6.671 10.342 -11.523 1.00 0.00 C ATOM 862 O THR A 50 7.248 11.120 -12.286 1.00 0.00 O ATOM 863 CB THR A 50 5.366 8.449 -12.639 1.00 0.00 C ATOM 864 OG1 THR A 50 5.579 7.179 -13.225 1.00 0.00 O ATOM 865 CG2 THR A 50 5.018 9.398 -13.774 1.00 0.00 C ATOM 0 H THR A 50 5.863 7.358 -10.563 1.00 0.00 H new ATOM 0 HA THR A 50 7.511 8.655 -12.430 1.00 0.00 H new ATOM 0 HB THR A 50 4.543 8.472 -11.925 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.280 6.479 -12.607 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.122 9.043 -14.284 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.836 10.395 -13.372 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.846 9.438 -14.482 1.00 0.00 H new ATOM 873 N ILE A 51 6.124 10.746 -10.375 1.00 0.00 N ATOM 874 CA ILE A 51 6.119 12.130 -9.861 1.00 0.00 C ATOM 875 C ILE A 51 7.386 12.493 -9.055 1.00 0.00 C ATOM 876 O ILE A 51 7.705 13.670 -8.870 1.00 0.00 O ATOM 877 CB ILE A 51 4.792 12.368 -9.088 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.563 12.374 -10.034 1.00 0.00 C ATOM 879 CG2 ILE A 51 4.769 13.636 -8.216 1.00 0.00 C ATOM 880 CD1 ILE A 51 3.457 13.560 -11.006 1.00 0.00 C ATOM 0 H ILE A 51 5.651 10.096 -9.747 1.00 0.00 H new ATOM 0 HA ILE A 51 6.157 12.820 -10.704 1.00 0.00 H new ATOM 0 HB ILE A 51 4.733 11.519 -8.407 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.576 11.454 -10.618 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.661 12.351 -9.423 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.804 13.717 -7.717 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.560 13.578 -7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.927 14.513 -8.844 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.559 13.453 -11.614 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.404 14.490 -10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.333 13.579 -11.654 1.00 0.00 H new ATOM 892 N ASN A 52 8.161 11.495 -8.640 1.00 0.00 N ATOM 893 CA ASN A 52 9.364 11.630 -7.810 1.00 0.00 C ATOM 894 C ASN A 52 10.654 11.603 -8.661 1.00 0.00 C ATOM 895 O ASN A 52 11.365 10.593 -8.723 1.00 0.00 O ATOM 896 CB ASN A 52 9.322 10.561 -6.703 1.00 0.00 C ATOM 897 CG ASN A 52 10.490 10.633 -5.735 1.00 0.00 C ATOM 898 OD1 ASN A 52 11.215 11.616 -5.639 1.00 0.00 O ATOM 899 ND2 ASN A 52 10.699 9.589 -4.964 1.00 0.00 N ATOM 0 H ASN A 52 7.962 10.524 -8.882 1.00 0.00 H new ATOM 0 HA ASN A 52 9.379 12.607 -7.327 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.392 10.667 -6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.306 9.574 -7.165 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.463 9.599 -4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.097 8.769 -5.041 1.00 0.00 H new ATOM 967 N LEU B 4 -6.945 -4.827 11.881 1.00 0.00 N ATOM 968 CA LEU B 4 -7.766 -4.079 10.929 1.00 0.00 C ATOM 969 C LEU B 4 -7.977 -2.595 11.261 1.00 0.00 C ATOM 970 O LEU B 4 -8.249 -1.796 10.362 1.00 0.00 O ATOM 971 CB LEU B 4 -9.117 -4.781 10.747 1.00 0.00 C ATOM 972 CG LEU B 4 -9.932 -5.019 12.030 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.428 -4.839 11.771 1.00 0.00 C ATOM 974 CD2 LEU B 4 -9.731 -6.432 12.589 1.00 0.00 C ATOM 0 HA LEU B 4 -7.198 -4.076 9.999 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.722 -4.189 10.061 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.942 -5.744 10.268 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.573 -4.285 12.752 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -11.981 -5.013 12.694 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -11.617 -3.824 11.421 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -11.754 -5.551 11.013 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -10.326 -6.553 13.494 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -10.046 -7.165 11.847 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.678 -6.584 12.824 1.00 0.00 H new ATOM 986 N ARG B 5 -7.814 -2.205 12.531 1.00 0.00 N ATOM 987 CA ARG B 5 -7.939 -0.785 12.952 1.00 0.00 C ATOM 988 C ARG B 5 -6.650 -0.050 12.595 1.00 0.00 C ATOM 989 O ARG B 5 -6.671 1.084 12.120 1.00 0.00 O ATOM 990 CB ARG B 5 -8.243 -0.701 14.467 1.00 0.00 C ATOM 991 CG ARG B 5 -9.604 -0.063 14.803 1.00 0.00 C ATOM 992 CD ARG B 5 -9.693 1.423 14.420 1.00 0.00 C ATOM 993 NE ARG B 5 -10.889 2.065 15.011 1.00 0.00 N ATOM 994 CZ ARG B 5 -10.972 2.690 16.175 1.00 0.00 C ATOM 995 NH1 ARG B 5 -9.956 2.803 16.984 1.00 0.00 N ATOM 996 NH2 ARG B 5 -12.097 3.222 16.560 1.00 0.00 N ATOM 0 H ARG B 5 -7.595 -2.846 13.293 1.00 0.00 H new ATOM 0 HA ARG B 5 -8.769 -0.310 12.429 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -8.211 -1.706 14.889 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -7.455 -0.126 14.953 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -10.391 -0.612 14.286 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -9.792 -0.167 15.872 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -8.796 1.941 14.758 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -9.726 1.519 13.335 1.00 0.00 H new ATOM 0 HE ARG B 5 -11.746 2.021 14.459 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -9.054 2.401 16.729 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -10.063 3.293 17.872 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -12.922 3.159 15.963 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -12.153 3.702 17.458 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.546 -0.781 12.733 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.209 -0.449 12.260 1.00 0.00 C ATOM 1012 C GLU B 6 -4.177 -0.095 10.759 1.00 0.00 C ATOM 1013 O GLU B 6 -3.530 0.882 10.377 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.289 -1.636 12.625 1.00 0.00 C ATOM 1015 CG GLU B 6 -1.936 -1.170 13.177 1.00 0.00 C ATOM 1016 CD GLU B 6 -2.064 -0.552 14.586 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -2.017 -1.304 15.590 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -2.196 0.690 14.701 1.00 0.00 O ATOM 0 H GLU B 6 -5.566 -1.682 13.211 1.00 0.00 H new ATOM 0 HA GLU B 6 -3.852 0.458 12.748 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.785 -2.264 13.365 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.126 -2.253 11.741 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.250 -2.016 13.214 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.502 -0.436 12.498 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.938 -0.820 9.922 1.00 0.00 N ATOM 1026 CA LEU B 7 -5.092 -0.528 8.486 1.00 0.00 C ATOM 1027 C LEU B 7 -5.762 0.834 8.274 1.00 0.00 C ATOM 1028 O LEU B 7 -5.156 1.746 7.717 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.925 -1.617 7.763 1.00 0.00 C ATOM 1030 CG LEU B 7 -5.466 -3.066 7.943 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -6.412 -4.026 7.222 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -4.048 -3.275 7.439 1.00 0.00 C ATOM 0 H LEU B 7 -5.470 -1.635 10.227 1.00 0.00 H new ATOM 0 HA LEU B 7 -4.089 -0.514 8.060 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.956 -1.541 8.108 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.928 -1.391 6.697 1.00 0.00 H new ATOM 0 HG LEU B 7 -5.483 -3.276 9.012 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -6.067 -5.050 7.363 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -7.417 -3.922 7.631 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -6.427 -3.791 6.158 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.760 -4.316 7.585 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.999 -3.030 6.378 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -3.366 -2.629 7.992 1.00 0.00 H new ATOM 1044 N TYR B 8 -7.003 0.960 8.757 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.916 2.097 8.584 1.00 0.00 C ATOM 1046 C TYR B 8 -7.293 3.418 9.016 1.00 0.00 C ATOM 1047 O TYR B 8 -7.420 4.417 8.313 1.00 0.00 O ATOM 1048 CB TYR B 8 -9.138 1.806 9.487 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.507 2.368 9.128 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.679 3.427 8.211 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.635 1.831 9.784 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.964 3.953 7.977 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.921 2.353 9.548 1.00 0.00 C ATOM 1054 CZ TYR B 8 -13.086 3.428 8.649 1.00 0.00 C ATOM 1055 OH TYR B 8 -14.310 3.986 8.448 1.00 0.00 O ATOM 0 H TYR B 8 -7.426 0.220 9.318 1.00 0.00 H new ATOM 0 HA TYR B 8 -8.174 2.199 7.530 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -9.240 0.723 9.553 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.894 2.164 10.487 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.825 3.834 7.689 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.510 1.010 10.475 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -12.091 4.765 7.277 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.778 1.932 10.053 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.979 3.509 8.983 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.598 3.427 10.154 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.953 4.644 10.660 1.00 0.00 C ATOM 1067 C LYS B 9 -4.865 5.181 9.741 1.00 0.00 C ATOM 1068 O LYS B 9 -4.896 6.359 9.403 1.00 0.00 O ATOM 1069 CB LYS B 9 -5.423 4.416 12.086 1.00 0.00 C ATOM 1070 CG LYS B 9 -6.552 4.574 13.116 1.00 0.00 C ATOM 1071 CD LYS B 9 -6.072 4.553 14.576 1.00 0.00 C ATOM 1072 CE LYS B 9 -5.421 5.865 15.057 1.00 0.00 C ATOM 1073 NZ LYS B 9 -3.969 5.962 14.748 1.00 0.00 N ATOM 0 H LYS B 9 -6.466 2.606 10.745 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.720 5.418 10.687 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -4.990 3.419 12.163 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.625 5.127 12.301 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -7.072 5.513 12.929 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -7.277 3.773 12.971 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -6.921 4.327 15.221 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -5.355 3.741 14.697 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -5.938 6.707 14.596 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -5.561 5.956 16.134 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -3.489 6.497 15.500 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -3.562 5.007 14.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -3.839 6.451 13.839 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.941 4.340 9.290 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.901 4.728 8.343 1.00 0.00 C ATOM 1089 C LEU B 10 -3.473 5.032 6.945 1.00 0.00 C ATOM 1090 O LEU B 10 -3.059 5.996 6.302 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.789 3.666 8.358 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.902 3.836 9.612 1.00 0.00 C ATOM 1093 CD1 LEU B 10 -0.198 2.533 9.975 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.149 4.931 9.409 1.00 0.00 C ATOM 0 H LEU B 10 -3.892 3.361 9.574 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.452 5.672 8.652 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.229 2.669 8.348 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.180 3.755 7.459 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.565 4.124 10.428 1.00 0.00 H new ATOM 0 HD11 LEU B 10 0.418 2.687 10.861 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.941 1.762 10.179 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.434 2.217 9.145 1.00 0.00 H new ATOM 0 HD21 LEU B 10 0.756 5.025 10.310 1.00 0.00 H new ATOM 0 HD22 LEU B 10 0.789 4.670 8.566 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -0.348 5.880 9.206 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.508 4.296 6.534 1.00 0.00 N ATOM 1107 CA GLU B 11 -5.387 4.612 5.399 1.00 0.00 C ATOM 1108 C GLU B 11 -6.021 6.020 5.517 1.00 0.00 C ATOM 1109 O GLU B 11 -6.064 6.743 4.520 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.427 3.467 5.269 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.977 2.306 4.356 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.937 2.614 2.848 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -5.031 3.191 2.227 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.731 2.189 1.990 1.00 0.00 O ATOM 0 H GLU B 11 -4.770 3.427 7.000 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.807 4.664 4.478 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.642 3.072 6.262 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -7.359 3.879 4.882 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.983 1.988 4.669 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.647 1.462 4.517 1.00 0.00 H new ATOM 1121 N GLN B 12 -6.432 6.479 6.712 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.998 7.816 6.913 1.00 0.00 C ATOM 1123 C GLN B 12 -5.973 8.930 7.140 1.00 0.00 C ATOM 1124 O GLN B 12 -6.205 10.065 6.730 1.00 0.00 O ATOM 1125 CB GLN B 12 -8.013 7.770 8.054 1.00 0.00 C ATOM 1126 CG GLN B 12 -9.299 7.123 7.536 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.425 7.128 8.570 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -10.245 6.829 9.744 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.632 7.491 8.184 1.00 0.00 N ATOM 0 H GLN B 12 -6.379 5.926 7.568 1.00 0.00 H new ATOM 0 HA GLN B 12 -7.483 8.082 5.974 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.614 7.200 8.893 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -8.216 8.776 8.420 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.631 7.651 6.642 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -9.089 6.095 7.240 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.802 7.744 7.210 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.396 7.519 8.859 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.817 8.621 7.719 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.702 9.570 7.837 1.00 0.00 C ATOM 1140 C GLN B 13 -3.125 9.943 6.469 1.00 0.00 C ATOM 1141 O GLN B 13 -2.785 11.107 6.259 1.00 0.00 O ATOM 1142 CB GLN B 13 -2.593 9.028 8.753 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.978 9.118 10.236 1.00 0.00 C ATOM 1144 CD GLN B 13 -1.796 8.790 11.145 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -1.607 7.665 11.590 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -0.959 9.759 11.457 1.00 0.00 N ATOM 0 H GLN B 13 -4.621 7.705 8.122 1.00 0.00 H new ATOM 0 HA GLN B 13 -4.108 10.474 8.290 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -2.385 7.990 8.495 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.675 9.590 8.582 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.341 10.122 10.458 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -3.798 8.430 10.442 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -1.108 10.699 11.091 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -0.162 9.569 12.064 1.00 0.00 H new ATOM 1155 N ALA B 14 -3.095 9.007 5.513 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.763 9.311 4.126 1.00 0.00 C ATOM 1157 C ALA B 14 -3.845 10.204 3.506 1.00 0.00 C ATOM 1158 O ALA B 14 -3.512 11.188 2.858 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.590 7.996 3.354 1.00 0.00 C ATOM 0 H ALA B 14 -3.300 8.022 5.683 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.825 9.864 4.076 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.341 8.214 2.315 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.787 7.413 3.805 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.518 7.426 3.393 1.00 0.00 H new ATOM 1165 N MET B 15 -5.132 9.943 3.766 1.00 0.00 N ATOM 1166 CA MET B 15 -6.224 10.805 3.276 1.00 0.00 C ATOM 1167 C MET B 15 -6.172 12.232 3.839 1.00 0.00 C ATOM 1168 O MET B 15 -6.360 13.192 3.090 1.00 0.00 O ATOM 1169 CB MET B 15 -7.589 10.169 3.590 1.00 0.00 C ATOM 1170 CG MET B 15 -8.100 9.301 2.438 1.00 0.00 C ATOM 1171 SD MET B 15 -8.277 10.154 0.842 1.00 0.00 S ATOM 1172 CE MET B 15 -9.155 11.653 1.336 1.00 0.00 C ATOM 0 H MET B 15 -5.447 9.142 4.313 1.00 0.00 H new ATOM 0 HA MET B 15 -6.089 10.886 2.197 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.506 9.562 4.491 1.00 0.00 H new ATOM 0 HB3 MET B 15 -8.314 10.955 3.800 1.00 0.00 H new ATOM 0 HG2 MET B 15 -7.419 8.460 2.308 1.00 0.00 H new ATOM 0 HG3 MET B 15 -9.068 8.886 2.719 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.459 12.206 0.447 1.00 0.00 H new ATOM 0 HE2 MET B 15 -10.038 11.383 1.915 1.00 0.00 H new ATOM 0 HE3 MET B 15 -8.499 12.275 1.944 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.865 12.403 5.130 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.684 13.730 5.739 1.00 0.00 C ATOM 1184 C LYS B 16 -4.486 14.471 5.138 1.00 0.00 C ATOM 1185 O LYS B 16 -4.583 15.658 4.824 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.550 13.577 7.264 1.00 0.00 C ATOM 1187 CG LYS B 16 -5.781 14.906 8.003 1.00 0.00 C ATOM 1188 CD LYS B 16 -7.268 15.315 8.041 1.00 0.00 C ATOM 1189 CE LYS B 16 -7.468 16.837 8.054 1.00 0.00 C ATOM 1190 NZ LYS B 16 -6.936 17.476 9.288 1.00 0.00 N ATOM 0 H LYS B 16 -5.735 11.629 5.782 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.562 14.339 5.522 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -6.268 12.837 7.618 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.557 13.198 7.504 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -5.406 14.820 9.023 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -5.204 15.693 7.516 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -7.778 14.894 7.174 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -7.736 14.884 8.926 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -6.976 17.271 7.184 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -8.531 17.060 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -7.097 18.503 9.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -7.423 17.084 10.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -5.916 17.289 9.364 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.392 13.748 4.893 1.00 0.00 N ATOM 1205 CA LEU B 17 -2.257 14.227 4.104 1.00 0.00 C ATOM 1206 C LEU B 17 -2.668 14.629 2.679 1.00 0.00 C ATOM 1207 O LEU B 17 -2.249 15.682 2.207 1.00 0.00 O ATOM 1208 CB LEU B 17 -1.169 13.134 4.098 1.00 0.00 C ATOM 1209 CG LEU B 17 -0.016 13.403 5.077 1.00 0.00 C ATOM 1210 CD1 LEU B 17 0.884 12.174 5.152 1.00 0.00 C ATOM 1211 CD2 LEU B 17 0.850 14.593 4.657 1.00 0.00 C ATOM 0 H LEU B 17 -3.268 12.798 5.243 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.862 15.133 4.563 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.627 12.176 4.345 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.764 13.043 3.090 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.469 13.631 6.042 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.702 12.364 5.846 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.304 11.319 5.500 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.290 11.959 4.163 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.649 14.737 5.385 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.284 14.399 3.676 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.235 15.492 4.611 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.529 13.851 2.016 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.999 14.098 0.649 1.00 0.00 C ATOM 1225 C TYR B 18 -4.902 15.338 0.550 1.00 0.00 C ATOM 1226 O TYR B 18 -4.805 16.091 -0.422 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.669 12.816 0.103 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.704 11.906 -0.645 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -3.038 12.386 -1.788 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.414 10.611 -0.168 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -2.016 11.625 -2.385 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.376 9.855 -0.745 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.650 10.378 -1.836 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.604 9.687 -2.366 1.00 0.00 O ATOM 0 H TYR B 18 -3.930 13.008 2.427 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.141 14.332 0.019 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -5.110 12.263 0.932 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.485 13.096 -0.564 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.312 13.342 -2.209 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.992 10.197 0.645 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.511 11.996 -3.265 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.136 8.877 -0.354 1.00 0.00 H new ATOM 0 HH TYR B 18 0.006 9.416 -1.649 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.714 15.613 1.580 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.523 16.840 1.706 1.00 0.00 C ATOM 1246 C ARG B 19 -5.658 18.106 1.714 1.00 0.00 C ATOM 1247 O ARG B 19 -5.948 19.050 0.984 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.418 16.709 2.956 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.506 17.789 3.102 1.00 0.00 C ATOM 1250 CD ARG B 19 -8.030 19.066 3.813 1.00 0.00 C ATOM 1251 NE ARG B 19 -9.152 20.004 4.023 1.00 0.00 N ATOM 1252 CZ ARG B 19 -9.124 21.137 4.704 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -8.045 21.570 5.292 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -10.198 21.865 4.809 1.00 0.00 N ATOM 0 H ARG B 19 -5.831 14.976 2.368 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.162 16.949 0.830 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -7.900 15.731 2.937 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -6.783 16.734 3.842 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -8.876 18.054 2.111 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -9.347 17.370 3.655 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -7.583 18.807 4.773 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -7.254 19.549 3.220 1.00 0.00 H new ATOM 0 HE ARG B 19 -10.043 19.750 3.597 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -7.182 21.030 5.236 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -8.063 22.450 5.808 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -11.065 21.562 4.365 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -10.173 22.738 5.335 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.581 18.127 2.500 1.00 0.00 N ATOM 1269 CA GLU B 20 -3.659 19.275 2.572 1.00 0.00 C ATOM 1270 C GLU B 20 -2.728 19.365 1.366 1.00 0.00 C ATOM 1271 O GLU B 20 -2.505 20.443 0.818 1.00 0.00 O ATOM 1272 CB GLU B 20 -2.790 19.150 3.830 1.00 0.00 C ATOM 1273 CG GLU B 20 -2.303 20.516 4.328 1.00 0.00 C ATOM 1274 CD GLU B 20 -1.277 20.368 5.468 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -1.684 20.140 6.634 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -0.055 20.498 5.210 1.00 0.00 O ATOM 0 H GLU B 20 -4.318 17.351 3.107 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.277 20.173 2.593 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.361 18.659 4.618 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.931 18.514 3.616 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.854 21.067 3.502 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -3.154 21.102 4.676 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.222 18.218 0.921 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.434 18.107 -0.305 1.00 0.00 C ATOM 1285 C ALA B 21 -2.188 18.658 -1.529 1.00 0.00 C ATOM 1286 O ALA B 21 -1.557 19.220 -2.414 1.00 0.00 O ATOM 1287 CB ALA B 21 -0.982 16.659 -0.517 1.00 0.00 C ATOM 0 H ALA B 21 -2.348 17.330 1.406 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.545 18.727 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.396 16.591 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.372 16.341 0.328 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.856 16.013 -0.597 1.00 0.00 H new ATOM 1293 N SER B 22 -3.524 18.584 -1.565 1.00 0.00 N ATOM 1294 CA SER B 22 -4.346 19.218 -2.612 1.00 0.00 C ATOM 1295 C SER B 22 -4.318 20.757 -2.569 1.00 0.00 C ATOM 1296 O SER B 22 -4.425 21.410 -3.609 1.00 0.00 O ATOM 1297 CB SER B 22 -5.784 18.701 -2.500 1.00 0.00 C ATOM 1298 OG SER B 22 -6.559 19.091 -3.620 1.00 0.00 O ATOM 0 H SER B 22 -4.071 18.081 -0.867 1.00 0.00 H new ATOM 0 HA SER B 22 -3.915 18.943 -3.575 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.777 17.614 -2.421 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.241 19.084 -1.588 1.00 0.00 H new ATOM 0 HG SER B 22 -7.471 18.746 -3.523 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.108 21.378 -1.399 1.00 0.00 N ATOM 1305 CA GLU B 23 -3.767 22.810 -1.313 1.00 0.00 C ATOM 1306 C GLU B 23 -2.323 23.070 -1.727 1.00 0.00 C ATOM 1307 O GLU B 23 -2.047 23.984 -2.504 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.040 23.320 0.110 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.269 24.837 0.218 1.00 0.00 C ATOM 1310 CD GLU B 23 -2.991 25.693 0.068 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -1.969 25.399 0.734 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -3.025 26.703 -0.676 1.00 0.00 O ATOM 0 H GLU B 23 -4.168 20.911 -0.494 1.00 0.00 H new ATOM 0 HA GLU B 23 -4.398 23.359 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -4.917 22.805 0.503 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.198 23.048 0.746 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -4.984 25.139 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -4.725 25.055 1.184 1.00 0.00 H new ATOM 1319 N LYS B 24 -1.406 22.224 -1.266 1.00 0.00 N ATOM 1320 CA LYS B 24 0.020 22.353 -1.580 1.00 0.00 C ATOM 1321 C LYS B 24 0.373 22.082 -3.059 1.00 0.00 C ATOM 1322 O LYS B 24 1.398 22.553 -3.551 1.00 0.00 O ATOM 1323 CB LYS B 24 0.798 21.468 -0.604 1.00 0.00 C ATOM 1324 CG LYS B 24 2.243 21.954 -0.446 1.00 0.00 C ATOM 1325 CD LYS B 24 2.852 21.377 0.833 1.00 0.00 C ATOM 1326 CE LYS B 24 2.355 22.020 2.140 1.00 0.00 C ATOM 1327 NZ LYS B 24 2.793 23.435 2.288 1.00 0.00 N ATOM 0 H LYS B 24 -1.627 21.430 -0.665 1.00 0.00 H new ATOM 0 HA LYS B 24 0.312 23.395 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS B 24 0.303 21.470 0.367 1.00 0.00 H new ATOM 0 HB3 LYS B 24 0.795 20.438 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS B 24 2.834 21.650 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS B 24 2.267 23.043 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS B 24 2.640 20.308 0.868 1.00 0.00 H new ATOM 0 HD3 LYS B 24 3.935 21.485 0.782 1.00 0.00 H new ATOM 0 HE2 LYS B 24 1.266 21.976 2.170 1.00 0.00 H new ATOM 0 HE3 LYS B 24 2.721 21.440 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 2.489 23.797 3.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 3.829 23.487 2.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 2.367 24.011 1.534 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.517 21.392 -3.775 1.00 0.00 N ATOM 1342 CA ALA B 25 -0.459 21.032 -5.194 1.00 0.00 C ATOM 1343 C ALA B 25 -1.590 21.706 -5.998 1.00 0.00 C ATOM 1344 O ALA B 25 -2.165 21.097 -6.902 1.00 0.00 O ATOM 1345 CB ALA B 25 -0.531 19.502 -5.319 1.00 0.00 C ATOM 0 H ALA B 25 -1.370 21.041 -3.340 1.00 0.00 H new ATOM 0 HA ALA B 25 0.481 21.391 -5.614 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -0.489 19.221 -6.371 1.00 0.00 H new ATOM 0 HB2 ALA B 25 0.310 19.054 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.465 19.145 -4.885 1.00 0.00 H new ATOM 1351 N ARG B 26 -1.949 22.953 -5.648 1.00 0.00 N ATOM 1352 CA ARG B 26 -3.060 23.723 -6.247 1.00 0.00 C ATOM 1353 C ARG B 26 -3.030 23.818 -7.784 1.00 0.00 C ATOM 1354 O ARG B 26 -4.072 24.032 -8.404 1.00 0.00 O ATOM 1355 CB ARG B 26 -3.105 25.124 -5.604 1.00 0.00 C ATOM 1356 CG ARG B 26 -4.525 25.656 -5.363 1.00 0.00 C ATOM 1357 CD ARG B 26 -5.155 24.927 -4.171 1.00 0.00 C ATOM 1358 NE ARG B 26 -6.458 25.501 -3.788 1.00 0.00 N ATOM 1359 CZ ARG B 26 -7.340 24.961 -2.967 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -7.206 23.749 -2.499 1.00 0.00 N ATOM 1361 NH2 ARG B 26 -8.389 25.636 -2.596 1.00 0.00 N ATOM 0 H ARG B 26 -1.461 23.472 -4.918 1.00 0.00 H new ATOM 0 HA ARG B 26 -3.974 23.169 -6.030 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -2.574 25.093 -4.653 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -2.570 25.824 -6.246 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -4.494 26.728 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -5.135 25.510 -6.255 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -5.284 23.873 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -4.476 24.973 -3.320 1.00 0.00 H new ATOM 0 HE ARG B 26 -6.702 26.403 -4.197 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -6.399 23.186 -2.766 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -7.909 23.366 -1.867 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -8.532 26.586 -2.940 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -9.068 25.215 -1.962 1.00 0.00 H new ATOM 1375 N ASN B 27 -1.856 23.643 -8.395 1.00 0.00 N ATOM 1376 CA ASN B 27 -1.609 23.518 -9.816 1.00 0.00 C ATOM 1377 C ASN B 27 -2.503 22.429 -10.462 1.00 0.00 C ATOM 1378 O ASN B 27 -2.501 21.287 -9.990 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.118 23.155 -9.929 1.00 0.00 C ATOM 1380 CG ASN B 27 0.824 24.147 -9.260 1.00 0.00 C ATOM 1381 OD1 ASN B 27 1.047 24.099 -8.058 1.00 0.00 O ATOM 1382 ND2 ASN B 27 1.398 25.070 -9.998 1.00 0.00 N ATOM 0 H ASN B 27 -0.991 23.581 -7.858 1.00 0.00 H new ATOM 0 HA ASN B 27 -1.849 24.439 -10.347 1.00 0.00 H new ATOM 0 HB2 ASN B 27 0.038 22.170 -9.488 1.00 0.00 H new ATOM 0 HB3 ASN B 27 0.145 23.077 -10.984 1.00 0.00 H new ATOM 0 HD21 ASN B 27 2.029 25.746 -9.569 1.00 0.00 H new ATOM 0 HD22 ASN B 27 1.212 25.110 -11.000 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.227 22.714 -11.562 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.191 21.770 -12.143 1.00 0.00 C ATOM 1391 C PRO B 28 -3.542 20.497 -12.715 1.00 0.00 C ATOM 1392 O PRO B 28 -4.191 19.454 -12.794 1.00 0.00 O ATOM 1393 CB PRO B 28 -4.950 22.568 -13.210 1.00 0.00 C ATOM 1394 CG PRO B 28 -3.968 23.668 -13.611 1.00 0.00 C ATOM 1395 CD PRO B 28 -3.228 23.966 -12.308 1.00 0.00 C ATOM 0 HA PRO B 28 -4.859 21.385 -11.373 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.219 21.942 -14.061 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.877 22.984 -12.814 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.287 23.334 -14.394 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.484 24.549 -13.992 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.211 24.306 -12.504 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -3.726 24.756 -11.746 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.249 20.548 -13.055 1.00 0.00 N ATOM 1404 CA GLU B 29 -1.443 19.390 -13.479 1.00 0.00 C ATOM 1405 C GLU B 29 -1.404 18.279 -12.415 1.00 0.00 C ATOM 1406 O GLU B 29 -1.481 17.092 -12.731 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.022 19.888 -13.806 1.00 0.00 C ATOM 1408 CG GLU B 29 0.693 19.108 -14.921 1.00 0.00 C ATOM 1409 CD GLU B 29 1.171 17.702 -14.506 1.00 0.00 C ATOM 1410 OE1 GLU B 29 1.920 17.580 -13.506 1.00 0.00 O ATOM 1411 OE2 GLU B 29 0.854 16.719 -15.220 1.00 0.00 O ATOM 0 H GLU B 29 -1.717 21.418 -13.044 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.903 18.945 -14.361 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -0.077 20.938 -14.094 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.583 19.837 -12.901 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.018 19.013 -15.772 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.553 19.686 -15.259 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.345 18.688 -11.144 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.258 17.826 -9.958 1.00 0.00 C ATOM 1420 C LYS B 30 -2.608 17.603 -9.278 1.00 0.00 C ATOM 1421 O LYS B 30 -2.887 16.467 -8.889 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.223 18.395 -8.975 1.00 0.00 C ATOM 1423 CG LYS B 30 1.212 18.338 -9.524 1.00 0.00 C ATOM 1424 CD LYS B 30 2.202 19.072 -8.611 1.00 0.00 C ATOM 1425 CE LYS B 30 3.624 18.905 -9.162 1.00 0.00 C ATOM 1426 NZ LYS B 30 4.596 19.774 -8.451 1.00 0.00 N ATOM 0 H LYS B 30 -1.357 19.678 -10.901 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.931 16.842 -10.294 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.478 19.429 -8.744 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.272 17.838 -8.040 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.519 17.298 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.238 18.782 -10.519 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.945 20.130 -8.553 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.144 18.674 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.931 17.863 -9.067 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.632 19.144 -10.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 5.545 19.633 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 4.318 20.770 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 4.607 19.529 -7.440 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.493 18.608 -9.226 1.00 0.00 N ATOM 1441 CA LYS B 31 -4.875 18.519 -8.719 1.00 0.00 C ATOM 1442 C LYS B 31 -5.821 17.628 -9.552 1.00 0.00 C ATOM 1443 O LYS B 31 -6.988 17.479 -9.198 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.393 19.955 -8.502 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.499 20.038 -7.437 1.00 0.00 C ATOM 1446 CD LYS B 31 -6.587 21.452 -6.845 1.00 0.00 C ATOM 1447 CE LYS B 31 -7.693 21.576 -5.789 1.00 0.00 C ATOM 1448 NZ LYS B 31 -9.053 21.569 -6.392 1.00 0.00 N ATOM 0 H LYS B 31 -3.258 19.546 -9.549 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.860 17.988 -7.767 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.562 20.595 -8.206 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.774 20.345 -9.446 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.457 19.765 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.299 19.319 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.629 21.715 -6.397 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.771 22.168 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.608 20.753 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.553 22.498 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.767 21.655 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.145 22.369 -7.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.199 20.678 -6.908 1.00 0.00 H new ATOM 1462 N SER B 32 -5.299 16.966 -10.590 1.00 0.00 N ATOM 1463 CA SER B 32 -5.954 15.877 -11.340 1.00 0.00 C ATOM 1464 C SER B 32 -5.117 14.583 -11.402 1.00 0.00 C ATOM 1465 O SER B 32 -5.448 13.664 -12.151 1.00 0.00 O ATOM 1466 CB SER B 32 -6.329 16.354 -12.752 1.00 0.00 C ATOM 1467 OG SER B 32 -7.242 17.441 -12.693 1.00 0.00 O ATOM 0 H SER B 32 -4.369 17.180 -10.950 1.00 0.00 H new ATOM 0 HA SER B 32 -6.860 15.622 -10.790 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.430 16.657 -13.289 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.772 15.531 -13.313 1.00 0.00 H new ATOM 0 HG SER B 32 -7.466 17.730 -13.602 1.00 0.00 H new ATOM 1473 N VAL B 33 -4.066 14.476 -10.579 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.256 13.261 -10.371 1.00 0.00 C ATOM 1475 C VAL B 33 -3.406 12.774 -8.930 1.00 0.00 C ATOM 1476 O VAL B 33 -3.775 11.617 -8.727 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.776 13.501 -10.745 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.859 12.327 -10.367 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.637 13.716 -12.257 1.00 0.00 C ATOM 0 H VAL B 33 -3.741 15.262 -10.016 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.624 12.478 -11.034 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.470 14.382 -10.182 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.166 12.558 -10.656 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.904 12.162 -9.290 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.188 11.427 -10.886 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.589 13.884 -12.506 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.998 12.833 -12.785 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.225 14.584 -12.557 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.246 13.642 -7.917 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.496 13.242 -6.530 1.00 0.00 C ATOM 1491 C LEU B 34 -5.003 13.065 -6.233 1.00 0.00 C ATOM 1492 O LEU B 34 -5.369 12.318 -5.328 1.00 0.00 O ATOM 1493 CB LEU B 34 -2.710 14.154 -5.568 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.511 15.301 -4.952 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -2.754 15.914 -3.776 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -3.840 16.428 -5.921 1.00 0.00 C ATOM 0 H LEU B 34 -2.949 14.611 -8.033 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.103 12.240 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.306 13.541 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.860 14.574 -6.106 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.449 14.844 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.340 16.729 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.586 15.152 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.795 16.299 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.409 17.199 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -2.916 16.857 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.431 16.036 -6.748 1.00 0.00 H new ATOM 1508 N GLN B 35 -5.881 13.683 -7.036 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.338 13.500 -6.984 1.00 0.00 C ATOM 1510 C GLN B 35 -7.754 12.045 -7.262 1.00 0.00 C ATOM 1511 O GLN B 35 -8.729 11.561 -6.688 1.00 0.00 O ATOM 1512 CB GLN B 35 -7.958 14.463 -8.009 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.494 14.481 -8.053 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.132 14.978 -6.752 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -9.836 16.052 -6.247 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.036 14.223 -6.167 1.00 0.00 N ATOM 0 H GLN B 35 -5.589 14.341 -7.759 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.699 13.721 -5.980 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.606 15.472 -7.793 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -7.586 14.201 -9.000 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -9.819 15.118 -8.876 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -9.856 13.475 -8.266 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.293 13.325 -6.577 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -11.480 14.536 -5.304 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.011 11.324 -8.114 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.302 9.920 -8.442 1.00 0.00 C ATOM 1527 C LYS B 36 -6.929 8.976 -7.305 1.00 0.00 C ATOM 1528 O LYS B 36 -7.707 8.081 -6.981 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.576 9.514 -9.740 1.00 0.00 C ATOM 1530 CG LYS B 36 -6.999 10.357 -10.955 1.00 0.00 C ATOM 1531 CD LYS B 36 -6.233 9.932 -12.215 1.00 0.00 C ATOM 1532 CE LYS B 36 -6.675 10.787 -13.409 1.00 0.00 C ATOM 1533 NZ LYS B 36 -5.937 10.426 -14.649 1.00 0.00 N ATOM 0 H LYS B 36 -6.192 11.697 -8.595 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.378 9.835 -8.592 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -5.500 9.612 -9.594 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -6.775 8.463 -9.947 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -8.070 10.247 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -6.815 11.412 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -5.161 10.044 -12.054 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -6.416 8.878 -12.424 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -7.745 10.658 -13.572 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -6.512 11.841 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -6.263 11.025 -15.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -4.918 10.573 -14.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -6.113 9.427 -14.880 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.794 9.223 -6.642 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.432 8.534 -5.396 1.00 0.00 C ATOM 1549 C ILE B 37 -6.475 8.853 -4.324 1.00 0.00 C ATOM 1550 O ILE B 37 -7.046 7.925 -3.767 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.017 8.939 -4.908 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -2.903 8.647 -5.931 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.742 8.262 -3.553 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.493 9.110 -5.540 1.00 0.00 C ATOM 0 H ILE B 37 -5.101 9.904 -6.952 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.414 7.461 -5.587 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.004 10.022 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.874 7.572 -6.110 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.171 9.121 -6.875 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.749 8.541 -3.202 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.488 8.585 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.795 7.180 -3.670 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.792 8.852 -6.334 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.493 10.190 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.192 8.617 -4.616 1.00 0.00 H new ATOM 1566 N LEU B 38 -6.786 10.125 -4.049 1.00 0.00 N ATOM 1567 CA LEU B 38 -7.745 10.448 -2.988 1.00 0.00 C ATOM 1568 C LEU B 38 -9.152 9.871 -3.254 1.00 0.00 C ATOM 1569 O LEU B 38 -9.826 9.466 -2.307 1.00 0.00 O ATOM 1570 CB LEU B 38 -7.655 11.931 -2.577 1.00 0.00 C ATOM 1571 CG LEU B 38 -8.564 12.884 -3.346 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -9.965 13.015 -2.737 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -7.952 14.287 -3.370 1.00 0.00 C ATOM 0 H LEU B 38 -6.396 10.932 -4.536 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.458 9.917 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.890 12.010 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -6.624 12.262 -2.701 1.00 0.00 H new ATOM 0 HG LEU B 38 -8.657 12.459 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -10.558 13.708 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -10.450 12.039 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -9.885 13.392 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -8.608 14.961 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -7.834 14.650 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -6.977 14.251 -3.857 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.577 9.725 -4.518 1.00 0.00 N ATOM 1586 CA GLU B 39 -10.833 9.035 -4.847 1.00 0.00 C ATOM 1587 C GLU B 39 -10.766 7.513 -4.628 1.00 0.00 C ATOM 1588 O GLU B 39 -11.697 6.922 -4.074 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.228 9.384 -6.292 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.589 8.812 -6.708 1.00 0.00 C ATOM 1591 CD GLU B 39 -12.972 9.285 -8.125 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -13.582 10.374 -8.262 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -12.678 8.567 -9.112 1.00 0.00 O ATOM 0 H GLU B 39 -9.069 10.076 -5.330 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.602 9.386 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.249 10.468 -6.403 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.462 9.009 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.555 7.723 -6.680 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -13.353 9.125 -5.996 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.653 6.878 -4.993 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.355 5.483 -4.695 1.00 0.00 C ATOM 1602 C ASP B 40 -9.278 5.213 -3.182 1.00 0.00 C ATOM 1603 O ASP B 40 -9.764 4.186 -2.710 1.00 0.00 O ATOM 1604 CB ASP B 40 -8.008 5.177 -5.365 1.00 0.00 C ATOM 1605 CG ASP B 40 -8.075 4.707 -6.826 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.175 4.565 -7.416 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.978 4.466 -7.380 1.00 0.00 O ATOM 0 H ASP B 40 -8.912 7.338 -5.521 1.00 0.00 H new ATOM 0 HA ASP B 40 -10.151 4.841 -5.072 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.390 6.074 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.499 4.410 -4.780 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.711 6.133 -2.397 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.572 5.950 -0.945 1.00 0.00 C ATOM 1614 C GLU B 41 -9.912 6.146 -0.227 1.00 0.00 C ATOM 1615 O GLU B 41 -10.239 5.386 0.682 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.531 6.903 -0.336 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.063 6.789 -0.782 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.408 5.419 -0.641 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.962 4.469 -0.032 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.285 5.241 -1.174 1.00 0.00 O ATOM 0 H GLU B 41 -8.338 7.017 -2.743 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.230 4.925 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -7.859 7.922 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.557 6.771 0.746 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -6.001 7.090 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.477 7.507 -0.209 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.738 7.099 -0.666 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.116 7.250 -0.180 1.00 0.00 C ATOM 1629 C GLU B 42 -12.929 5.953 -0.376 1.00 0.00 C ATOM 1630 O GLU B 42 -13.702 5.558 0.503 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.775 8.445 -0.892 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.107 8.897 -0.278 1.00 0.00 C ATOM 1633 CD GLU B 42 -13.902 9.678 1.036 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -13.788 9.048 2.115 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -13.870 10.933 1.000 1.00 0.00 O ATOM 0 H GLU B 42 -10.472 7.789 -1.369 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.096 7.444 0.892 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.081 9.285 -0.882 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.942 8.182 -1.937 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.641 9.523 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.733 8.025 -0.088 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.697 5.235 -1.487 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.283 3.912 -1.743 1.00 0.00 C ATOM 1644 C LYS B 43 -12.808 2.861 -0.733 1.00 0.00 C ATOM 1645 O LYS B 43 -13.631 2.119 -0.199 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.988 3.475 -3.192 1.00 0.00 C ATOM 1647 CG LYS B 43 -14.130 2.659 -3.816 1.00 0.00 C ATOM 1648 CD LYS B 43 -15.328 3.533 -4.222 1.00 0.00 C ATOM 1649 CE LYS B 43 -16.426 2.668 -4.854 1.00 0.00 C ATOM 1650 NZ LYS B 43 -17.582 3.491 -5.299 1.00 0.00 N ATOM 0 H LYS B 43 -12.091 5.561 -2.240 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.362 3.994 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.805 4.359 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -12.074 2.882 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.757 2.130 -4.693 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.461 1.902 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.722 4.052 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -15.006 4.298 -4.928 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -16.017 2.124 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -16.764 1.924 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -18.305 2.874 -5.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -17.987 3.991 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -17.263 4.184 -6.005 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.514 2.819 -0.397 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.965 1.937 0.612 1.00 0.00 C ATOM 1666 C HIS B 44 -11.526 2.208 2.007 1.00 0.00 C ATOM 1667 O HIS B 44 -11.778 1.257 2.738 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.451 2.134 0.634 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.686 1.840 -0.627 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -7.315 2.098 -0.817 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -9.205 1.270 -1.751 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -7.076 1.715 -2.092 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -8.188 1.231 -2.669 1.00 0.00 N ATOM 0 H HIS B 44 -10.812 3.415 -0.835 1.00 0.00 H new ATOM 0 HA HIS B 44 -11.239 0.914 0.354 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.252 3.169 0.912 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -9.043 1.507 1.427 1.00 0.00 H new ATOM 0 HD1 HIS B 44 -6.652 2.486 -0.145 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -10.217 0.919 -1.891 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -6.116 1.789 -2.582 1.00 0.00 H new ATOM 0 HE2 HIS B 44 -8.263 0.892 -3.628 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.751 3.474 2.373 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.342 3.867 3.660 1.00 0.00 C ATOM 1683 C ILE B 45 -13.760 3.287 3.817 1.00 0.00 C ATOM 1684 O ILE B 45 -14.081 2.736 4.872 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.267 5.411 3.824 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.986 5.847 4.577 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.467 6.002 4.583 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.663 5.630 3.838 1.00 0.00 C ATOM 0 H ILE B 45 -11.525 4.269 1.775 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.765 3.439 4.480 1.00 0.00 H new ATOM 0 HB ILE B 45 -12.266 5.793 2.803 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -11.074 6.906 4.819 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -10.943 5.307 5.523 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.351 7.083 4.662 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.387 5.774 4.044 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.515 5.568 5.582 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.837 5.972 4.462 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.538 4.569 3.620 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.671 6.194 2.905 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.585 3.321 2.763 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.904 2.684 2.757 1.00 0.00 C ATOM 1702 C GLU B 46 -15.816 1.164 2.961 1.00 0.00 C ATOM 1703 O GLU B 46 -16.583 0.594 3.739 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.618 2.990 1.430 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.089 4.443 1.280 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.327 4.737 2.150 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.467 4.467 1.699 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.172 5.249 3.286 1.00 0.00 O ATOM 0 H GLU B 46 -14.354 3.793 1.889 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.472 3.093 3.593 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.944 2.753 0.607 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.481 2.330 1.336 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.280 5.118 1.559 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.324 4.643 0.235 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.854 0.501 2.313 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.645 -0.939 2.420 1.00 0.00 C ATOM 1717 C TRP B 47 -14.101 -1.338 3.798 1.00 0.00 C ATOM 1718 O TRP B 47 -14.510 -2.358 4.346 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.672 -1.396 1.327 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.999 -1.136 -0.119 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.167 -0.691 -0.640 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -13.103 -1.291 -1.262 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -15.033 -0.524 -2.008 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.768 -0.854 -2.442 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.781 -1.753 -1.415 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -13.137 -0.818 -3.695 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -11.135 -1.740 -2.666 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.802 -1.246 -3.802 1.00 0.00 C ATOM 0 H TRP B 47 -14.190 0.961 1.690 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.611 -1.428 2.292 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.709 -0.929 1.532 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.535 -2.471 1.442 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -16.066 -0.496 -0.075 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.780 -0.196 -2.620 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.250 -2.126 -0.552 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.670 -0.466 -4.566 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -10.124 -2.110 -2.754 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -11.291 -1.196 -4.752 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.227 -0.520 4.389 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.715 -0.679 5.750 1.00 0.00 C ATOM 1741 C LEU B 48 -13.843 -0.673 6.784 1.00 0.00 C ATOM 1742 O LEU B 48 -13.922 -1.549 7.645 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.741 0.474 6.056 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.305 0.063 6.368 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -10.204 -0.963 7.499 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.558 -0.455 5.141 1.00 0.00 C ATOM 0 H LEU B 48 -12.844 0.299 3.916 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.207 -1.641 5.813 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.728 1.151 5.201 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -12.130 1.038 6.903 1.00 0.00 H new ATOM 0 HG LEU B 48 -9.825 0.983 6.702 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -9.157 -1.213 7.671 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -10.631 -0.544 8.410 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -10.751 -1.864 7.223 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.542 -0.732 5.423 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -10.075 -1.328 4.742 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -9.523 0.325 4.380 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.743 0.302 6.666 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.961 0.365 7.486 1.00 0.00 C ATOM 1760 C GLU B 49 -16.860 -0.855 7.280 1.00 0.00 C ATOM 1761 O GLU B 49 -17.355 -1.436 8.245 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.757 1.639 7.163 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.652 2.038 8.344 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.500 3.284 8.026 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.572 3.147 7.386 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -18.123 4.407 8.445 1.00 0.00 O ATOM 0 H GLU B 49 -14.653 1.071 6.002 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.641 0.378 8.528 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -16.070 2.453 6.930 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.369 1.475 6.276 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.309 1.207 8.599 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.032 2.234 9.219 1.00 0.00 H new ATOM 1773 N THR B 50 -17.022 -1.286 6.028 1.00 0.00 N ATOM 1774 CA THR B 50 -17.752 -2.516 5.681 1.00 0.00 C ATOM 1775 C THR B 50 -17.135 -3.777 6.310 1.00 0.00 C ATOM 1776 O THR B 50 -17.855 -4.671 6.757 1.00 0.00 O ATOM 1777 CB THR B 50 -17.868 -2.604 4.150 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.897 -1.750 3.691 1.00 0.00 O ATOM 1779 CG2 THR B 50 -18.161 -3.990 3.599 1.00 0.00 C ATOM 0 H THR B 50 -16.649 -0.791 5.218 1.00 0.00 H new ATOM 0 HA THR B 50 -18.753 -2.466 6.109 1.00 0.00 H new ATOM 0 HB THR B 50 -16.882 -2.312 3.790 1.00 0.00 H new ATOM 0 HG1 THR B 50 -18.962 -1.811 2.715 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.223 -3.944 2.512 1.00 0.00 H new ATOM 0 HG22 THR B 50 -17.362 -4.673 3.888 1.00 0.00 H new ATOM 0 HG23 THR B 50 -19.108 -4.349 4.002 1.00 0.00 H new ATOM 1787 N ILE B 51 -15.806 -3.824 6.417 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.027 -4.877 7.103 1.00 0.00 C ATOM 1789 C ILE B 51 -15.157 -4.815 8.640 1.00 0.00 C ATOM 1790 O ILE B 51 -14.873 -5.791 9.338 1.00 0.00 O ATOM 1791 CB ILE B 51 -13.560 -4.848 6.585 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -13.511 -5.379 5.131 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -12.566 -5.649 7.449 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -12.220 -5.021 4.379 1.00 0.00 C ATOM 0 H ILE B 51 -15.210 -3.102 6.013 1.00 0.00 H new ATOM 0 HA ILE B 51 -15.446 -5.851 6.852 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.245 -3.806 6.639 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -13.621 -6.463 5.147 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -14.363 -4.980 4.580 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -11.568 -5.576 7.017 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.555 -5.244 8.461 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -12.872 -6.695 7.481 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -12.263 -5.428 3.369 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -12.117 -3.937 4.329 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -11.364 -5.443 4.905 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.673 -3.707 9.170 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.813 -3.416 10.601 1.00 0.00 C ATOM 1808 C ASN B 52 -17.284 -3.141 11.016 1.00 0.00 C ATOM 1809 O ASN B 52 -17.551 -2.391 11.960 1.00 0.00 O ATOM 1810 CB ASN B 52 -14.816 -2.287 10.941 1.00 0.00 C ATOM 1811 CG ASN B 52 -14.653 -2.030 12.433 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.852 -0.929 12.928 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -14.261 -3.024 13.200 1.00 0.00 N ATOM 0 H ASN B 52 -16.023 -2.948 8.586 1.00 0.00 H new ATOM 0 HA ASN B 52 -15.559 -4.290 11.202 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -13.843 -2.537 10.518 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -15.147 -1.367 10.459 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -14.125 -2.874 14.200 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -14.093 -3.945 12.795 1.00 0.00 H new