USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 THR OG1 : rot 180:sc= -0.077 USER MOD Set 1.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 ASN : amide:sc= -3.98! C(o=-4.9!,f=-5.9!) USER MOD Set 2.2: A 41 GLN : amide:sc= -0.948 K(o=-4.9,f=-7.5!) USER MOD Set 3.1: A 2 SER OG : rot -14:sc= 1.74 USER MOD Set 3.2: A 5 THR OG1 : rot 133:sc= 1.06 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.38 K(o=-1.4,f=-5.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= -0.148 (180deg=-0.761) USER MOD Single : A 53 GLN : amide:sc= -2.71 K(o=-2.7,f=-4.1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -174:sc= -0.551 (180deg=-0.596) USER MOD Single : A 74 SER OG : rot -130:sc= 0.974 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc=9.08e-05 USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= -0.0808 (180deg=-0.343) USER MOD Single : A 86 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.8) USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= 0.559 (180deg=0.454) USER MOD Single : A 92 SER OG : rot 67:sc= 0.414 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 3.514 2.285 -0.458 1.00 0.00 N ATOM 19 CA SER A 2 4.247 3.542 -0.357 1.00 0.00 C ATOM 20 C SER A 2 3.424 4.592 0.382 1.00 0.00 C ATOM 21 O SER A 2 2.401 5.061 -0.118 1.00 0.00 O ATOM 22 CB SER A 2 4.616 4.054 -1.751 1.00 0.00 C ATOM 23 OG SER A 2 3.849 3.408 -2.752 1.00 0.00 O ATOM 0 HA SER A 2 5.161 3.358 0.208 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.452 5.130 -1.801 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.677 3.884 -1.935 1.00 0.00 H new ATOM 0 HG SER A 2 3.414 2.617 -2.371 1.00 0.00 H new ATOM 29 N VAL A 3 3.878 4.958 1.576 1.00 0.00 N ATOM 30 CA VAL A 3 3.186 5.954 2.386 1.00 0.00 C ATOM 31 C VAL A 3 2.915 7.222 1.584 1.00 0.00 C ATOM 32 O VAL A 3 1.868 7.850 1.733 1.00 0.00 O ATOM 33 CB VAL A 3 3.998 6.318 3.643 1.00 0.00 C ATOM 34 CG1 VAL A 3 3.291 7.405 4.439 1.00 0.00 C ATOM 35 CG2 VAL A 3 4.231 5.084 4.501 1.00 0.00 C ATOM 0 H VAL A 3 4.723 4.580 2.004 1.00 0.00 H new ATOM 0 HA VAL A 3 2.238 5.511 2.691 1.00 0.00 H new ATOM 0 HB VAL A 3 4.968 6.704 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.879 7.649 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.180 8.295 3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.307 7.050 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.806 5.359 5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.271 4.667 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.783 4.340 3.926 1.00 0.00 H new ATOM 45 N GLU A 4 3.867 7.592 0.733 1.00 0.00 N ATOM 46 CA GLU A 4 3.731 8.786 -0.093 1.00 0.00 C ATOM 47 C GLU A 4 2.522 8.672 -1.018 1.00 0.00 C ATOM 48 O GLU A 4 1.789 9.640 -1.223 1.00 0.00 O ATOM 49 CB GLU A 4 4.999 9.010 -0.918 1.00 0.00 C ATOM 50 CG GLU A 4 6.280 8.908 -0.106 1.00 0.00 C ATOM 51 CD GLU A 4 7.318 9.932 -0.522 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.430 9.522 -0.917 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.019 11.142 -0.453 1.00 0.00 O ATOM 0 H GLU A 4 4.740 7.082 0.598 1.00 0.00 H new ATOM 0 HA GLU A 4 3.582 9.639 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.031 8.278 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.951 9.995 -1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.047 9.041 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.697 7.907 -0.217 1.00 0.00 H new ATOM 60 N THR A 5 2.321 7.483 -1.576 1.00 0.00 N ATOM 61 CA THR A 5 1.204 7.242 -2.480 1.00 0.00 C ATOM 62 C THR A 5 -0.128 7.341 -1.747 1.00 0.00 C ATOM 63 O THR A 5 -1.187 7.418 -2.372 1.00 0.00 O ATOM 64 CB THR A 5 1.309 5.857 -3.146 1.00 0.00 C ATOM 65 OG1 THR A 5 2.624 5.669 -3.682 1.00 0.00 O ATOM 66 CG2 THR A 5 0.279 5.710 -4.255 1.00 0.00 C ATOM 0 H THR A 5 2.918 6.671 -1.418 1.00 0.00 H new ATOM 0 HA THR A 5 1.249 8.012 -3.250 1.00 0.00 H new ATOM 0 HB THR A 5 1.114 5.099 -2.388 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.963 4.789 -3.416 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.373 4.724 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.722 5.824 -3.839 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.447 6.476 -5.012 1.00 0.00 H new ATOM 74 N ILE A 6 -0.069 7.338 -0.420 1.00 0.00 N ATOM 75 CA ILE A 6 -1.273 7.429 0.398 1.00 0.00 C ATOM 76 C ILE A 6 -1.691 8.882 0.600 1.00 0.00 C ATOM 77 O ILE A 6 -2.824 9.259 0.299 1.00 0.00 O ATOM 78 CB ILE A 6 -1.069 6.770 1.775 1.00 0.00 C ATOM 79 CG1 ILE A 6 -0.153 5.550 1.650 1.00 0.00 C ATOM 80 CG2 ILE A 6 -2.409 6.373 2.375 1.00 0.00 C ATOM 81 CD1 ILE A 6 -0.641 4.529 0.647 1.00 0.00 C ATOM 0 H ILE A 6 0.799 7.274 0.112 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.060 6.897 -0.137 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.594 7.491 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.844 5.882 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.061 5.073 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.249 5.909 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.031 7.260 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.909 5.666 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.057 3.692 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.625 4.168 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.706 4.990 -0.339 1.00 0.00 H new ATOM 93 N ILE A 7 -0.770 9.692 1.109 1.00 0.00 N ATOM 94 CA ILE A 7 -1.042 11.104 1.348 1.00 0.00 C ATOM 95 C ILE A 7 -1.349 11.833 0.044 1.00 0.00 C ATOM 96 O ILE A 7 -2.219 12.701 -0.002 1.00 0.00 O ATOM 97 CB ILE A 7 0.144 11.797 2.044 1.00 0.00 C ATOM 98 CG1 ILE A 7 0.321 11.251 3.462 1.00 0.00 C ATOM 99 CG2 ILE A 7 -0.064 13.303 2.072 1.00 0.00 C ATOM 100 CD1 ILE A 7 -0.830 11.585 4.386 1.00 0.00 C ATOM 0 H ILE A 7 0.172 9.395 1.364 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.913 11.151 2.002 1.00 0.00 H new ATOM 0 HB ILE A 7 1.052 11.587 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.435 10.168 3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.243 11.651 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.783 13.778 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.145 13.678 1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.979 13.534 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.637 11.167 5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.932 12.667 4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.752 11.162 3.987 1.00 0.00 H new ATOM 112 N GLU A 8 -0.628 11.472 -1.013 1.00 0.00 N ATOM 113 CA GLU A 8 -0.824 12.092 -2.318 1.00 0.00 C ATOM 114 C GLU A 8 -2.308 12.165 -2.668 1.00 0.00 C ATOM 115 O GLU A 8 -2.795 13.194 -3.137 1.00 0.00 O ATOM 116 CB GLU A 8 -0.073 11.309 -3.397 1.00 0.00 C ATOM 117 CG GLU A 8 0.547 12.191 -4.468 1.00 0.00 C ATOM 118 CD GLU A 8 -0.489 12.972 -5.252 1.00 0.00 C ATOM 119 OE1 GLU A 8 -1.327 12.336 -5.925 1.00 0.00 O ATOM 120 OE2 GLU A 8 -0.462 14.219 -5.194 1.00 0.00 O ATOM 0 H GLU A 8 0.096 10.754 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.428 13.107 -2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.712 10.718 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.760 10.607 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.245 12.887 -4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.125 11.572 -5.154 1.00 0.00 H new ATOM 127 N ARG A 9 -3.019 11.067 -2.437 1.00 0.00 N ATOM 128 CA ARG A 9 -4.446 11.005 -2.729 1.00 0.00 C ATOM 129 C ARG A 9 -5.225 11.969 -1.839 1.00 0.00 C ATOM 130 O ARG A 9 -6.243 12.525 -2.251 1.00 0.00 O ATOM 131 CB ARG A 9 -4.967 9.580 -2.535 1.00 0.00 C ATOM 132 CG ARG A 9 -4.178 8.533 -3.304 1.00 0.00 C ATOM 133 CD ARG A 9 -4.940 7.221 -3.400 1.00 0.00 C ATOM 134 NE ARG A 9 -6.254 7.395 -4.013 1.00 0.00 N ATOM 135 CZ ARG A 9 -6.441 7.553 -5.319 1.00 0.00 C ATOM 136 NH1 ARG A 9 -5.404 7.559 -6.144 1.00 0.00 N ATOM 137 NH2 ARG A 9 -7.668 7.706 -5.801 1.00 0.00 N ATOM 0 H ARG A 9 -2.630 10.208 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.592 11.299 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.942 9.334 -1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.011 9.538 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.961 8.903 -4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.220 8.364 -2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.359 6.506 -3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.058 6.797 -2.403 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.073 7.395 -3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.460 7.442 -5.777 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.550 7.680 -7.146 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.468 7.702 -5.169 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.811 7.827 -6.804 1.00 0.00 H new ATOM 151 N ILE A 10 -4.740 12.160 -0.616 1.00 0.00 N ATOM 152 CA ILE A 10 -5.391 13.056 0.331 1.00 0.00 C ATOM 153 C ILE A 10 -5.253 14.511 -0.104 1.00 0.00 C ATOM 154 O ILE A 10 -6.219 15.275 -0.073 1.00 0.00 O ATOM 155 CB ILE A 10 -4.807 12.899 1.747 1.00 0.00 C ATOM 156 CG1 ILE A 10 -5.182 11.534 2.328 1.00 0.00 C ATOM 157 CG2 ILE A 10 -5.299 14.019 2.652 1.00 0.00 C ATOM 158 CD1 ILE A 10 -4.507 11.233 3.648 1.00 0.00 C ATOM 0 H ILE A 10 -3.899 11.706 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.446 12.783 0.349 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.721 12.961 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.263 11.490 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.919 10.758 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.877 13.893 3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.986 14.980 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.387 13.987 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.819 10.250 4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.425 11.244 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.790 11.988 4.382 1.00 0.00 H new ATOM 170 N LYS A 11 -4.046 14.889 -0.512 1.00 0.00 N ATOM 171 CA LYS A 11 -3.781 16.252 -0.958 1.00 0.00 C ATOM 172 C LYS A 11 -4.435 16.519 -2.310 1.00 0.00 C ATOM 173 O LYS A 11 -5.009 17.585 -2.532 1.00 0.00 O ATOM 174 CB LYS A 11 -2.273 16.495 -1.051 1.00 0.00 C ATOM 175 CG LYS A 11 -1.472 15.768 0.015 1.00 0.00 C ATOM 176 CD LYS A 11 -0.046 16.287 0.093 1.00 0.00 C ATOM 177 CE LYS A 11 0.669 16.155 -1.243 1.00 0.00 C ATOM 178 NZ LYS A 11 1.961 15.427 -1.111 1.00 0.00 N ATOM 0 H LYS A 11 -3.236 14.270 -0.543 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.209 16.937 -0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.923 16.180 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.080 17.565 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.958 15.890 0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.460 14.700 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.055 17.333 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.502 15.735 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.026 15.629 -1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.852 17.147 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.417 15.358 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.585 15.942 -0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.785 14.471 -0.740 1.00 0.00 H new ATOM 192 N ALA A 12 -4.345 15.544 -3.208 1.00 0.00 N ATOM 193 CA ALA A 12 -4.931 15.674 -4.537 1.00 0.00 C ATOM 194 C ALA A 12 -6.449 15.793 -4.458 1.00 0.00 C ATOM 195 O ALA A 12 -7.075 16.438 -5.300 1.00 0.00 O ATOM 196 CB ALA A 12 -4.537 14.488 -5.405 1.00 0.00 C ATOM 0 H ALA A 12 -3.872 14.656 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.544 16.587 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.981 14.598 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.452 14.449 -5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.896 13.566 -4.946 1.00 0.00 H new ATOM 202 N ARG A 13 -7.035 15.167 -3.442 1.00 0.00 N ATOM 203 CA ARG A 13 -8.480 15.202 -3.255 1.00 0.00 C ATOM 204 C ARG A 13 -8.910 16.501 -2.580 1.00 0.00 C ATOM 205 O ARG A 13 -9.756 17.231 -3.096 1.00 0.00 O ATOM 206 CB ARG A 13 -8.937 14.005 -2.419 1.00 0.00 C ATOM 207 CG ARG A 13 -8.955 12.695 -3.190 1.00 0.00 C ATOM 208 CD ARG A 13 -10.264 12.508 -3.940 1.00 0.00 C ATOM 209 NE ARG A 13 -11.390 12.302 -3.034 1.00 0.00 N ATOM 210 CZ ARG A 13 -12.657 12.498 -3.379 1.00 0.00 C ATOM 211 NH1 ARG A 13 -12.959 12.903 -4.605 1.00 0.00 N ATOM 212 NH2 ARG A 13 -13.627 12.289 -2.498 1.00 0.00 N ATOM 0 H ARG A 13 -6.531 14.630 -2.736 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.949 15.151 -4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.277 13.901 -1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.937 14.203 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.124 12.675 -3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.807 11.864 -2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.454 13.383 -4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.178 11.654 -4.611 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.192 11.990 -2.083 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.217 13.065 -5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.933 13.053 -4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.400 11.977 -1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.600 12.440 -2.765 1.00 0.00 H new ATOM 226 N VAL A 14 -8.321 16.783 -1.422 1.00 0.00 N ATOM 227 CA VAL A 14 -8.642 17.994 -0.676 1.00 0.00 C ATOM 228 C VAL A 14 -8.649 19.216 -1.588 1.00 0.00 C ATOM 229 O VAL A 14 -9.562 20.039 -1.534 1.00 0.00 O ATOM 230 CB VAL A 14 -7.641 18.229 0.471 1.00 0.00 C ATOM 231 CG1 VAL A 14 -7.877 17.234 1.597 1.00 0.00 C ATOM 232 CG2 VAL A 14 -6.212 18.137 -0.043 1.00 0.00 C ATOM 0 H VAL A 14 -7.619 16.189 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.638 17.852 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.796 19.233 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.161 17.415 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.890 17.353 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.750 16.220 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.518 18.306 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.040 17.147 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.053 18.893 -0.812 1.00 0.00 H new ATOM 242 N GLY A 15 -7.623 19.327 -2.427 1.00 0.00 N ATOM 243 CA GLY A 15 -7.530 20.452 -3.340 1.00 0.00 C ATOM 244 C GLY A 15 -8.789 20.634 -4.165 1.00 0.00 C ATOM 245 O GLY A 15 -9.114 21.748 -4.575 1.00 0.00 O ATOM 0 H GLY A 15 -6.855 18.659 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.337 21.362 -2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.680 20.306 -4.007 1.00 0.00 H new ATOM 249 N ALA A 16 -9.498 19.537 -4.411 1.00 0.00 N ATOM 250 CA ALA A 16 -10.727 19.581 -5.192 1.00 0.00 C ATOM 251 C ALA A 16 -11.954 19.567 -4.287 1.00 0.00 C ATOM 252 O ALA A 16 -12.984 20.157 -4.612 1.00 0.00 O ATOM 253 CB ALA A 16 -10.775 18.414 -6.167 1.00 0.00 C ATOM 0 H ALA A 16 -9.242 18.607 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.735 20.513 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.699 18.460 -6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.922 18.469 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.739 17.476 -5.613 1.00 0.00 H new ATOM 398 N LEU A 26 -13.198 22.323 12.197 1.00 0.00 N ATOM 399 CA LEU A 26 -11.922 22.880 11.763 1.00 0.00 C ATOM 400 C LEU A 26 -10.857 22.708 12.842 1.00 0.00 C ATOM 401 O LEU A 26 -11.035 23.142 13.979 1.00 0.00 O ATOM 402 CB LEU A 26 -12.081 24.363 11.420 1.00 0.00 C ATOM 403 CG LEU A 26 -12.123 25.326 12.607 1.00 0.00 C ATOM 404 CD1 LEU A 26 -12.214 26.765 12.124 1.00 0.00 C ATOM 405 CD2 LEU A 26 -13.293 24.993 13.522 1.00 0.00 C ATOM 0 HA LEU A 26 -11.602 22.339 10.873 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.256 24.655 10.770 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.999 24.486 10.845 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.200 25.213 13.175 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.243 27.436 12.983 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.344 26.998 11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -13.120 26.894 11.532 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.308 25.688 14.361 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.226 25.077 12.965 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.184 23.975 13.896 1.00 0.00 H new ATOM 417 N GLY A 27 -9.749 22.071 12.475 1.00 0.00 N ATOM 418 CA GLY A 27 -8.671 21.854 13.423 1.00 0.00 C ATOM 419 C GLY A 27 -7.469 21.183 12.789 1.00 0.00 C ATOM 420 O GLY A 27 -7.176 21.398 11.613 1.00 0.00 O ATOM 0 H GLY A 27 -9.579 21.702 11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.367 22.810 13.848 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.034 21.240 14.247 1.00 0.00 H new ATOM 424 N VAL A 28 -6.768 20.367 13.570 1.00 0.00 N ATOM 425 CA VAL A 28 -5.590 19.662 13.079 1.00 0.00 C ATOM 426 C VAL A 28 -5.451 18.296 13.742 1.00 0.00 C ATOM 427 O VAL A 28 -5.890 18.096 14.874 1.00 0.00 O ATOM 428 CB VAL A 28 -4.305 20.474 13.327 1.00 0.00 C ATOM 429 CG1 VAL A 28 -3.177 19.975 12.438 1.00 0.00 C ATOM 430 CG2 VAL A 28 -4.560 21.956 13.097 1.00 0.00 C ATOM 0 H VAL A 28 -6.996 20.178 14.546 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.725 19.530 12.006 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.004 20.336 14.366 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.278 20.561 12.628 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.979 18.926 12.656 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.465 20.080 11.392 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.642 22.515 13.277 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.886 22.114 12.069 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.335 22.302 13.781 1.00 0.00 H new ATOM 440 N PHE A 29 -4.836 17.358 13.029 1.00 0.00 N ATOM 441 CA PHE A 29 -4.638 16.010 13.548 1.00 0.00 C ATOM 442 C PHE A 29 -3.244 15.494 13.205 1.00 0.00 C ATOM 443 O PHE A 29 -2.658 15.883 12.195 1.00 0.00 O ATOM 444 CB PHE A 29 -5.698 15.063 12.981 1.00 0.00 C ATOM 445 CG PHE A 29 -6.935 14.972 13.828 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.253 13.797 14.490 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.780 16.062 13.962 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.391 13.710 15.270 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.919 15.981 14.741 1.00 0.00 C ATOM 450 CZ PHE A 29 -9.225 14.804 15.395 1.00 0.00 C ATOM 0 H PHE A 29 -4.466 17.507 12.090 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.735 16.047 14.633 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.976 15.398 11.981 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.266 14.068 12.875 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.604 12.939 14.395 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.546 16.985 13.452 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.628 12.788 15.781 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.569 16.838 14.838 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.115 14.739 16.003 1.00 0.00 H new ATOM 460 N GLN A 30 -2.719 14.617 14.055 1.00 0.00 N ATOM 461 CA GLN A 30 -1.392 14.049 13.843 1.00 0.00 C ATOM 462 C GLN A 30 -1.485 12.571 13.480 1.00 0.00 C ATOM 463 O GLN A 30 -1.714 11.722 14.343 1.00 0.00 O ATOM 464 CB GLN A 30 -0.533 14.226 15.095 1.00 0.00 C ATOM 465 CG GLN A 30 0.938 13.913 14.873 1.00 0.00 C ATOM 466 CD GLN A 30 1.479 14.528 13.597 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.097 15.635 13.218 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.374 13.811 12.927 1.00 0.00 N ATOM 0 H GLN A 30 -3.191 14.285 14.896 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.925 14.579 13.013 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.628 15.253 15.449 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.918 13.580 15.884 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.516 14.279 15.722 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.074 12.832 14.837 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.662 12.898 13.278 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.773 14.174 12.061 1.00 0.00 H new ATOM 477 N LEU A 31 -1.307 12.269 12.199 1.00 0.00 N ATOM 478 CA LEU A 31 -1.371 10.892 11.721 1.00 0.00 C ATOM 479 C LEU A 31 0.005 10.235 11.768 1.00 0.00 C ATOM 480 O LEU A 31 1.026 10.896 11.588 1.00 0.00 O ATOM 481 CB LEU A 31 -1.919 10.852 10.293 1.00 0.00 C ATOM 482 CG LEU A 31 -3.409 11.158 10.137 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.673 11.868 8.818 1.00 0.00 C ATOM 484 CD2 LEU A 31 -4.228 9.879 10.230 1.00 0.00 C ATOM 0 H LEU A 31 -1.117 12.959 11.472 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.041 10.336 12.377 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.357 11.565 9.689 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.727 9.862 9.879 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.712 11.820 10.949 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.739 12.078 8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.115 12.804 8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.355 11.232 7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.286 10.115 10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.923 9.193 9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.063 9.411 11.200 1.00 0.00 H new ATOM 496 N ASN A 32 0.022 8.928 12.010 1.00 0.00 N ATOM 497 CA ASN A 32 1.272 8.180 12.080 1.00 0.00 C ATOM 498 C ASN A 32 1.124 6.811 11.423 1.00 0.00 C ATOM 499 O ASN A 32 0.220 6.045 11.759 1.00 0.00 O ATOM 500 CB ASN A 32 1.712 8.015 13.536 1.00 0.00 C ATOM 501 CG ASN A 32 1.318 9.200 14.396 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.597 10.350 14.054 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.667 8.925 15.520 1.00 0.00 N ATOM 0 H ASN A 32 -0.815 8.365 12.161 1.00 0.00 H new ATOM 0 HA ASN A 32 2.033 8.742 11.540 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.268 7.108 13.946 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.794 7.886 13.574 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.377 9.682 16.140 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.457 7.957 15.764 1.00 0.00 H new ATOM 510 N ILE A 33 2.018 6.509 10.488 1.00 0.00 N ATOM 511 CA ILE A 33 1.988 5.232 9.786 1.00 0.00 C ATOM 512 C ILE A 33 2.920 4.221 10.445 1.00 0.00 C ATOM 513 O ILE A 33 4.142 4.345 10.369 1.00 0.00 O ATOM 514 CB ILE A 33 2.386 5.392 8.307 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.907 6.743 7.771 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.812 4.254 7.478 1.00 0.00 C ATOM 517 CD1 ILE A 33 0.411 6.937 7.873 1.00 0.00 C ATOM 0 H ILE A 33 2.772 7.132 10.199 1.00 0.00 H new ATOM 0 HA ILE A 33 0.962 4.867 9.840 1.00 0.00 H new ATOM 0 HB ILE A 33 3.473 5.357 8.233 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.407 7.541 8.320 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.207 6.838 6.727 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.102 4.381 6.435 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.197 3.304 7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.725 4.260 7.556 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.143 7.916 7.475 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.096 6.161 7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.106 6.875 8.918 1.00 0.00 H new ATOM 529 N LYS A 34 2.334 3.218 11.091 1.00 0.00 N ATOM 530 CA LYS A 34 3.111 2.181 11.761 1.00 0.00 C ATOM 531 C LYS A 34 3.778 1.259 10.746 1.00 0.00 C ATOM 532 O LYS A 34 3.104 0.585 9.966 1.00 0.00 O ATOM 533 CB LYS A 34 2.212 1.365 12.693 1.00 0.00 C ATOM 534 CG LYS A 34 2.344 1.752 14.157 1.00 0.00 C ATOM 535 CD LYS A 34 1.220 1.162 14.992 1.00 0.00 C ATOM 536 CE LYS A 34 1.635 0.997 16.446 1.00 0.00 C ATOM 537 NZ LYS A 34 0.456 0.859 17.346 1.00 0.00 N ATOM 0 H LYS A 34 1.323 3.101 11.165 1.00 0.00 H new ATOM 0 HA LYS A 34 3.889 2.668 12.349 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.174 1.490 12.385 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.452 0.308 12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.304 1.406 14.541 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.336 2.838 14.250 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.344 1.808 14.933 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.930 0.194 14.583 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.272 0.118 16.545 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.229 1.857 16.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.780 0.749 18.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.139 1.709 17.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.097 0.023 17.068 1.00 0.00 H new ATOM 551 N THR A 35 5.107 1.234 10.761 1.00 0.00 N ATOM 552 CA THR A 35 5.866 0.394 9.842 1.00 0.00 C ATOM 553 C THR A 35 6.999 -0.327 10.564 1.00 0.00 C ATOM 554 O THR A 35 7.442 0.103 11.628 1.00 0.00 O ATOM 555 CB THR A 35 6.455 1.220 8.682 1.00 0.00 C ATOM 556 OG1 THR A 35 7.425 0.444 7.972 1.00 0.00 O ATOM 557 CG2 THR A 35 7.099 2.497 9.200 1.00 0.00 C ATOM 0 H THR A 35 5.680 1.786 11.399 1.00 0.00 H new ATOM 0 HA THR A 35 5.170 -0.341 9.438 1.00 0.00 H new ATOM 0 HB THR A 35 5.642 1.490 8.007 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.793 0.975 7.235 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.508 3.064 8.363 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.350 3.099 9.715 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.901 2.245 9.894 1.00 0.00 H new ATOM 565 N ALA A 36 7.464 -1.425 9.977 1.00 0.00 N ATOM 566 CA ALA A 36 8.547 -2.204 10.564 1.00 0.00 C ATOM 567 C ALA A 36 9.828 -1.382 10.653 1.00 0.00 C ATOM 568 O ALA A 36 10.700 -1.661 11.476 1.00 0.00 O ATOM 569 CB ALA A 36 8.785 -3.470 9.754 1.00 0.00 C ATOM 0 H ALA A 36 7.108 -1.795 9.096 1.00 0.00 H new ATOM 0 HA ALA A 36 8.254 -2.483 11.576 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.596 -4.042 10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.877 -4.073 9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.052 -3.203 8.732 1.00 0.00 H new ATOM 575 N SER A 37 9.936 -0.368 9.800 1.00 0.00 N ATOM 576 CA SER A 37 11.113 0.493 9.780 1.00 0.00 C ATOM 577 C SER A 37 10.985 1.613 10.808 1.00 0.00 C ATOM 578 O SER A 37 11.961 2.289 11.131 1.00 0.00 O ATOM 579 CB SER A 37 11.314 1.086 8.384 1.00 0.00 C ATOM 580 OG SER A 37 10.853 0.197 7.381 1.00 0.00 O ATOM 0 H SER A 37 9.223 -0.123 9.114 1.00 0.00 H new ATOM 0 HA SER A 37 11.981 -0.114 10.037 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.781 2.033 8.308 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.371 1.301 8.226 1.00 0.00 H new ATOM 0 HG SER A 37 10.991 0.600 6.498 1.00 0.00 H new ATOM 586 N GLY A 38 9.772 1.803 11.319 1.00 0.00 N ATOM 587 CA GLY A 38 9.537 2.842 12.304 1.00 0.00 C ATOM 588 C GLY A 38 8.113 3.361 12.271 1.00 0.00 C ATOM 589 O GLY A 38 7.160 2.583 12.323 1.00 0.00 O ATOM 0 H GLY A 38 8.948 1.256 11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.755 2.452 13.298 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.226 3.668 12.127 1.00 0.00 H new ATOM 593 N VAL A 39 7.967 4.679 12.187 1.00 0.00 N ATOM 594 CA VAL A 39 6.649 5.301 12.148 1.00 0.00 C ATOM 595 C VAL A 39 6.684 6.617 11.379 1.00 0.00 C ATOM 596 O VAL A 39 7.356 7.565 11.783 1.00 0.00 O ATOM 597 CB VAL A 39 6.110 5.563 13.567 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.961 6.559 13.527 1.00 0.00 C ATOM 599 CG2 VAL A 39 5.675 4.260 14.221 1.00 0.00 C ATOM 0 H VAL A 39 8.745 5.337 12.145 1.00 0.00 H new ATOM 0 HA VAL A 39 5.985 4.603 11.638 1.00 0.00 H new ATOM 0 HB VAL A 39 6.911 5.994 14.167 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.593 6.731 14.539 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.310 7.500 13.102 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.155 6.160 12.911 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.297 4.464 15.223 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.889 3.798 13.624 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.527 3.583 14.286 1.00 0.00 H new ATOM 609 N GLU A 40 5.954 6.666 10.269 1.00 0.00 N ATOM 610 CA GLU A 40 5.903 7.867 9.442 1.00 0.00 C ATOM 611 C GLU A 40 4.852 8.842 9.964 1.00 0.00 C ATOM 612 O GLU A 40 3.653 8.576 9.889 1.00 0.00 O ATOM 613 CB GLU A 40 5.597 7.500 7.989 1.00 0.00 C ATOM 614 CG GLU A 40 6.837 7.216 7.158 1.00 0.00 C ATOM 615 CD GLU A 40 6.560 7.242 5.668 1.00 0.00 C ATOM 616 OE1 GLU A 40 6.064 8.278 5.175 1.00 0.00 O ATOM 617 OE2 GLU A 40 6.838 6.228 4.994 1.00 0.00 O ATOM 0 H GLU A 40 5.391 5.890 9.922 1.00 0.00 H new ATOM 0 HA GLU A 40 6.878 8.351 9.489 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.951 6.622 7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.039 8.315 7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.604 7.953 7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.238 6.240 7.432 1.00 0.00 H new ATOM 624 N GLN A 41 5.312 9.971 10.494 1.00 0.00 N ATOM 625 CA GLN A 41 4.411 10.985 11.030 1.00 0.00 C ATOM 626 C GLN A 41 3.936 11.928 9.929 1.00 0.00 C ATOM 627 O GLN A 41 4.688 12.253 9.010 1.00 0.00 O ATOM 628 CB GLN A 41 5.107 11.782 12.135 1.00 0.00 C ATOM 629 CG GLN A 41 5.701 10.912 13.230 1.00 0.00 C ATOM 630 CD GLN A 41 5.039 11.134 14.576 1.00 0.00 C ATOM 631 OE1 GLN A 41 5.227 12.172 15.210 1.00 0.00 O ATOM 632 NE2 GLN A 41 4.257 10.156 15.019 1.00 0.00 N ATOM 0 H GLN A 41 6.302 10.206 10.564 1.00 0.00 H new ATOM 0 HA GLN A 41 3.542 10.478 11.449 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.899 12.386 11.692 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.391 12.473 12.580 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.602 9.863 12.949 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.768 11.120 13.315 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.129 9.312 14.460 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.784 10.249 15.918 1.00 0.00 H new ATOM 641 N TRP A 42 2.685 12.362 10.028 1.00 0.00 N ATOM 642 CA TRP A 42 2.110 13.267 9.040 1.00 0.00 C ATOM 643 C TRP A 42 1.192 14.287 9.705 1.00 0.00 C ATOM 644 O TRP A 42 0.539 13.988 10.705 1.00 0.00 O ATOM 645 CB TRP A 42 1.335 12.477 7.985 1.00 0.00 C ATOM 646 CG TRP A 42 2.213 11.871 6.932 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.694 10.593 6.903 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.716 12.519 5.759 1.00 0.00 C ATOM 649 NE1 TRP A 42 3.466 10.408 5.781 1.00 0.00 N ATOM 650 CE2 TRP A 42 3.495 11.574 5.063 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.583 13.804 5.227 1.00 0.00 C ATOM 652 CZ2 TRP A 42 4.137 11.876 3.865 1.00 0.00 C ATOM 653 CZ3 TRP A 42 3.221 14.103 4.039 1.00 0.00 C ATOM 654 CH2 TRP A 42 3.989 13.143 3.367 1.00 0.00 C ATOM 0 H TRP A 42 2.049 12.102 10.782 1.00 0.00 H new ATOM 0 HA TRP A 42 2.927 13.802 8.556 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.770 11.685 8.477 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.610 13.136 7.508 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.497 9.839 7.651 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.941 9.542 5.525 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.992 14.551 5.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.731 11.137 3.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.126 15.094 3.621 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.473 13.407 2.439 1.00 0.00 H new ATOM 665 N ILE A 43 1.147 15.491 9.145 1.00 0.00 N ATOM 666 CA ILE A 43 0.307 16.553 9.684 1.00 0.00 C ATOM 667 C ILE A 43 -0.848 16.872 8.741 1.00 0.00 C ATOM 668 O ILE A 43 -0.646 17.104 7.549 1.00 0.00 O ATOM 669 CB ILE A 43 1.118 17.838 9.937 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.269 17.558 10.906 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.216 18.935 10.480 1.00 0.00 C ATOM 672 CD1 ILE A 43 3.582 18.174 10.478 1.00 0.00 C ATOM 0 H ILE A 43 1.683 15.755 8.318 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.090 16.191 10.632 1.00 0.00 H new ATOM 0 HB ILE A 43 1.539 18.177 8.990 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.003 17.938 11.893 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.397 16.480 11.003 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.804 19.836 10.654 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.572 19.149 9.758 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.231 18.607 11.418 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.352 17.935 11.211 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.871 17.776 9.505 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.471 19.256 10.408 1.00 0.00 H new ATOM 684 N VAL A 44 -2.062 16.884 9.285 1.00 0.00 N ATOM 685 CA VAL A 44 -3.251 17.178 8.493 1.00 0.00 C ATOM 686 C VAL A 44 -4.104 18.250 9.162 1.00 0.00 C ATOM 687 O VAL A 44 -4.246 18.272 10.384 1.00 0.00 O ATOM 688 CB VAL A 44 -4.107 15.916 8.277 1.00 0.00 C ATOM 689 CG1 VAL A 44 -5.031 15.688 9.464 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.903 16.027 6.986 1.00 0.00 C ATOM 0 H VAL A 44 -2.247 16.694 10.270 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.906 17.543 7.526 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.442 15.057 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.628 14.792 9.294 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.437 15.561 10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.691 16.547 9.581 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.502 15.127 6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.560 16.896 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.219 16.138 6.145 1.00 0.00 H new ATOM 700 N ASP A 45 -4.671 19.137 8.351 1.00 0.00 N ATOM 701 CA ASP A 45 -5.513 20.212 8.863 1.00 0.00 C ATOM 702 C ASP A 45 -6.931 20.101 8.312 1.00 0.00 C ATOM 703 O ASP A 45 -7.130 19.764 7.144 1.00 0.00 O ATOM 704 CB ASP A 45 -4.917 21.573 8.501 1.00 0.00 C ATOM 705 CG ASP A 45 -5.246 22.641 9.525 1.00 0.00 C ATOM 706 OD1 ASP A 45 -6.443 22.958 9.688 1.00 0.00 O ATOM 707 OD2 ASP A 45 -4.307 23.158 10.165 1.00 0.00 O ATOM 0 H ASP A 45 -4.563 19.133 7.337 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.556 20.120 9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.835 21.480 8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.291 21.882 7.525 1.00 0.00 H new ATOM 712 N LEU A 46 -7.914 20.385 9.160 1.00 0.00 N ATOM 713 CA LEU A 46 -9.315 20.316 8.758 1.00 0.00 C ATOM 714 C LEU A 46 -9.808 21.675 8.270 1.00 0.00 C ATOM 715 O LEU A 46 -10.546 21.763 7.288 1.00 0.00 O ATOM 716 CB LEU A 46 -10.178 19.837 9.927 1.00 0.00 C ATOM 717 CG LEU A 46 -9.450 19.062 11.025 1.00 0.00 C ATOM 718 CD1 LEU A 46 -10.395 18.752 12.176 1.00 0.00 C ATOM 719 CD2 LEU A 46 -8.850 17.781 10.466 1.00 0.00 C ATOM 0 H LEU A 46 -7.767 20.665 10.130 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.398 19.603 7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.656 20.706 10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.973 19.206 9.531 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.639 19.684 11.405 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.859 18.200 12.948 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.777 19.683 12.594 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.227 18.150 11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.336 17.243 11.262 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.644 17.155 10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.140 18.026 9.676 1.00 0.00 H new ATOM 731 N LYS A 47 -9.394 22.732 8.960 1.00 0.00 N ATOM 732 CA LYS A 47 -9.791 24.087 8.596 1.00 0.00 C ATOM 733 C LYS A 47 -9.701 24.293 7.087 1.00 0.00 C ATOM 734 O LYS A 47 -10.714 24.507 6.421 1.00 0.00 O ATOM 735 CB LYS A 47 -8.906 25.109 9.314 1.00 0.00 C ATOM 736 CG LYS A 47 -8.672 24.788 10.780 1.00 0.00 C ATOM 737 CD LYS A 47 -8.981 25.981 11.668 1.00 0.00 C ATOM 738 CE LYS A 47 -7.750 26.847 11.885 1.00 0.00 C ATOM 739 NZ LYS A 47 -8.003 27.934 12.871 1.00 0.00 N ATOM 0 H LYS A 47 -8.783 22.676 9.775 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.827 24.231 8.904 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.944 25.165 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.366 26.094 9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.296 23.944 11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.636 24.483 10.926 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.772 26.578 11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.356 25.632 12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.925 26.225 12.234 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.441 27.283 10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.140 28.502 12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.773 28.543 12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.273 27.518 13.785 1.00 0.00 H new ATOM 753 N GLN A 48 -8.485 24.225 6.556 1.00 0.00 N ATOM 754 CA GLN A 48 -8.266 24.403 5.125 1.00 0.00 C ATOM 755 C GLN A 48 -7.890 23.082 4.464 1.00 0.00 C ATOM 756 O GLN A 48 -8.022 22.015 5.064 1.00 0.00 O ATOM 757 CB GLN A 48 -7.167 25.440 4.882 1.00 0.00 C ATOM 758 CG GLN A 48 -7.345 26.715 5.690 1.00 0.00 C ATOM 759 CD GLN A 48 -6.286 27.755 5.379 1.00 0.00 C ATOM 760 OE1 GLN A 48 -5.101 27.548 5.641 1.00 0.00 O ATOM 761 NE2 GLN A 48 -6.709 28.881 4.817 1.00 0.00 N ATOM 0 H GLN A 48 -7.637 24.048 7.094 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.196 24.758 4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.201 24.997 5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.144 25.692 3.822 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.331 27.134 5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.312 26.475 6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.701 29.010 4.617 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.042 29.617 4.585 1.00 0.00 H new ATOM 770 N LEU A 49 -7.421 23.160 3.223 1.00 0.00 N ATOM 771 CA LEU A 49 -7.026 21.969 2.478 1.00 0.00 C ATOM 772 C LEU A 49 -5.515 21.931 2.274 1.00 0.00 C ATOM 773 O LEU A 49 -5.024 22.102 1.158 1.00 0.00 O ATOM 774 CB LEU A 49 -7.736 21.931 1.124 1.00 0.00 C ATOM 775 CG LEU A 49 -9.259 21.800 1.169 1.00 0.00 C ATOM 776 CD1 LEU A 49 -9.671 20.684 2.116 1.00 0.00 C ATOM 777 CD2 LEU A 49 -9.896 23.118 1.585 1.00 0.00 C ATOM 0 H LEU A 49 -7.305 24.035 2.712 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.318 21.094 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.485 22.841 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.336 21.095 0.550 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.612 21.549 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.758 20.606 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.245 19.741 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.306 20.904 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.980 23.006 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.536 23.400 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.629 23.894 0.867 1.00 0.00 H new ATOM 789 N LYS A 50 -4.782 21.705 3.358 1.00 0.00 N ATOM 790 CA LYS A 50 -3.326 21.641 3.299 1.00 0.00 C ATOM 791 C LYS A 50 -2.814 20.339 3.906 1.00 0.00 C ATOM 792 O LYS A 50 -3.520 19.676 4.666 1.00 0.00 O ATOM 793 CB LYS A 50 -2.712 22.835 4.034 1.00 0.00 C ATOM 794 CG LYS A 50 -2.881 22.773 5.542 1.00 0.00 C ATOM 795 CD LYS A 50 -1.678 22.131 6.212 1.00 0.00 C ATOM 796 CE LYS A 50 -0.851 23.156 6.972 1.00 0.00 C ATOM 797 NZ LYS A 50 -1.650 23.845 8.023 1.00 0.00 N ATOM 0 H LYS A 50 -5.172 21.563 4.290 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.028 21.675 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.649 22.889 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.168 23.753 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.023 23.780 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.780 22.206 5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.014 21.353 6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.056 21.646 5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.005 22.663 7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.456 23.894 6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.024 24.135 8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.108 24.685 7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.377 23.197 8.387 1.00 0.00 H new ATOM 811 N VAL A 51 -1.580 19.978 3.566 1.00 0.00 N ATOM 812 CA VAL A 51 -0.972 18.756 4.080 1.00 0.00 C ATOM 813 C VAL A 51 0.526 18.937 4.296 1.00 0.00 C ATOM 814 O VAL A 51 1.224 19.488 3.446 1.00 0.00 O ATOM 815 CB VAL A 51 -1.203 17.570 3.125 1.00 0.00 C ATOM 816 CG1 VAL A 51 -0.429 16.348 3.595 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.687 17.260 3.009 1.00 0.00 C ATOM 0 H VAL A 51 -0.982 20.514 2.937 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.450 18.541 5.036 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.835 17.845 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.604 15.520 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.636 16.579 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.763 16.068 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.831 16.419 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.083 17.005 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.212 18.133 2.622 1.00 0.00 H new ATOM 827 N ASP A 52 1.013 18.468 5.440 1.00 0.00 N ATOM 828 CA ASP A 52 2.430 18.577 5.768 1.00 0.00 C ATOM 829 C ASP A 52 2.962 17.257 6.319 1.00 0.00 C ATOM 830 O ASP A 52 2.207 16.449 6.858 1.00 0.00 O ATOM 831 CB ASP A 52 2.656 19.696 6.786 1.00 0.00 C ATOM 832 CG ASP A 52 1.542 20.725 6.771 1.00 0.00 C ATOM 833 OD1 ASP A 52 1.764 21.833 6.240 1.00 0.00 O ATOM 834 OD2 ASP A 52 0.447 20.421 7.290 1.00 0.00 O ATOM 0 H ASP A 52 0.448 18.009 6.155 1.00 0.00 H new ATOM 0 HA ASP A 52 2.972 18.815 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.735 19.265 7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.605 20.189 6.575 1.00 0.00 H new ATOM 839 N GLN A 53 4.267 17.047 6.179 1.00 0.00 N ATOM 840 CA GLN A 53 4.900 15.825 6.661 1.00 0.00 C ATOM 841 C GLN A 53 5.653 16.078 7.962 1.00 0.00 C ATOM 842 O GLN A 53 6.292 17.117 8.129 1.00 0.00 O ATOM 843 CB GLN A 53 5.856 15.269 5.604 1.00 0.00 C ATOM 844 CG GLN A 53 6.152 13.787 5.771 1.00 0.00 C ATOM 845 CD GLN A 53 6.847 13.192 4.562 1.00 0.00 C ATOM 846 OE1 GLN A 53 7.034 13.862 3.546 1.00 0.00 O ATOM 847 NE2 GLN A 53 7.235 11.926 4.667 1.00 0.00 N ATOM 0 H GLN A 53 4.906 17.707 5.736 1.00 0.00 H new ATOM 0 HA GLN A 53 4.116 15.092 6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.429 15.437 4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.793 15.825 5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.777 13.642 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.219 13.252 5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.059 11.409 5.528 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.709 11.471 3.886 1.00 0.00 H new ATOM 856 N GLY A 54 5.575 15.122 8.883 1.00 0.00 N ATOM 857 CA GLY A 54 6.254 15.261 10.157 1.00 0.00 C ATOM 858 C GLY A 54 5.288 15.340 11.323 1.00 0.00 C ATOM 859 O GLY A 54 4.141 14.904 11.220 1.00 0.00 O ATOM 0 H GLY A 54 5.053 14.253 8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.925 14.414 10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.872 16.159 10.140 1.00 0.00 H new ATOM 863 N VAL A 55 5.752 15.897 12.437 1.00 0.00 N ATOM 864 CA VAL A 55 4.921 16.032 13.628 1.00 0.00 C ATOM 865 C VAL A 55 4.622 17.496 13.928 1.00 0.00 C ATOM 866 O VAL A 55 5.531 18.286 14.188 1.00 0.00 O ATOM 867 CB VAL A 55 5.596 15.395 14.858 1.00 0.00 C ATOM 868 CG1 VAL A 55 6.959 16.023 15.104 1.00 0.00 C ATOM 869 CG2 VAL A 55 4.707 15.533 16.084 1.00 0.00 C ATOM 0 H VAL A 55 6.699 16.262 12.540 1.00 0.00 H new ATOM 0 HA VAL A 55 3.987 15.509 13.423 1.00 0.00 H new ATOM 0 HB VAL A 55 5.742 14.333 14.661 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.421 15.561 15.976 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.594 15.867 14.232 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.841 17.092 15.280 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.199 15.078 16.943 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.527 16.589 16.286 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.756 15.031 15.902 1.00 0.00 H new ATOM 879 N PHE A 56 3.343 17.853 13.890 1.00 0.00 N ATOM 880 CA PHE A 56 2.923 19.224 14.157 1.00 0.00 C ATOM 881 C PHE A 56 3.495 19.719 15.482 1.00 0.00 C ATOM 882 O PHE A 56 3.669 18.945 16.423 1.00 0.00 O ATOM 883 CB PHE A 56 1.396 19.317 14.180 1.00 0.00 C ATOM 884 CG PHE A 56 0.876 20.699 13.907 1.00 0.00 C ATOM 885 CD1 PHE A 56 1.346 21.430 12.828 1.00 0.00 C ATOM 886 CD2 PHE A 56 -0.084 21.267 14.730 1.00 0.00 C ATOM 887 CE1 PHE A 56 0.868 22.702 12.574 1.00 0.00 C ATOM 888 CE2 PHE A 56 -0.565 22.539 14.480 1.00 0.00 C ATOM 889 CZ PHE A 56 -0.088 23.257 13.402 1.00 0.00 C ATOM 0 H PHE A 56 2.579 17.212 13.677 1.00 0.00 H new ATOM 0 HA PHE A 56 3.306 19.858 13.357 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.987 18.630 13.439 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.034 18.987 15.154 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.094 21.001 12.178 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.460 20.710 15.575 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.242 23.261 11.729 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.314 22.971 15.128 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.462 24.251 13.206 1.00 0.00 H new ATOM 899 N ALA A 57 3.784 21.015 15.547 1.00 0.00 N ATOM 900 CA ALA A 57 4.334 21.614 16.756 1.00 0.00 C ATOM 901 C ALA A 57 3.394 21.422 17.941 1.00 0.00 C ATOM 902 O ALA A 57 3.826 21.415 19.094 1.00 0.00 O ATOM 903 CB ALA A 57 4.609 23.094 16.533 1.00 0.00 C ATOM 0 H ALA A 57 3.646 21.669 14.777 1.00 0.00 H new ATOM 0 HA ALA A 57 5.273 21.111 16.986 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.020 23.529 17.444 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.325 23.213 15.720 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.680 23.602 16.275 1.00 0.00 H new ATOM 909 N SER A 58 2.107 21.266 17.650 1.00 0.00 N ATOM 910 CA SER A 58 1.105 21.078 18.692 1.00 0.00 C ATOM 911 C SER A 58 -0.243 20.696 18.088 1.00 0.00 C ATOM 912 O SER A 58 -1.169 21.504 18.009 1.00 0.00 O ATOM 913 CB SER A 58 0.959 22.352 19.526 1.00 0.00 C ATOM 914 OG SER A 58 0.341 22.079 20.772 1.00 0.00 O ATOM 0 H SER A 58 1.733 21.266 16.701 1.00 0.00 H new ATOM 0 HA SER A 58 1.438 20.265 19.338 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.941 22.795 19.693 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.368 23.084 18.976 1.00 0.00 H new ATOM 0 HG SER A 58 0.261 22.909 21.286 1.00 0.00 H new ATOM 920 N PRO A 59 -0.358 19.433 17.650 1.00 0.00 N ATOM 921 CA PRO A 59 -1.588 18.914 17.045 1.00 0.00 C ATOM 922 C PRO A 59 -2.716 18.767 18.060 1.00 0.00 C ATOM 923 O PRO A 59 -2.472 18.646 19.260 1.00 0.00 O ATOM 924 CB PRO A 59 -1.168 17.542 16.510 1.00 0.00 C ATOM 925 CG PRO A 59 -0.012 17.142 17.360 1.00 0.00 C ATOM 926 CD PRO A 59 0.705 18.416 17.711 1.00 0.00 C ATOM 0 HA PRO A 59 -1.980 19.584 16.280 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.983 16.822 16.585 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.886 17.596 15.458 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.349 16.624 18.258 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.647 16.458 16.825 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.155 18.364 18.702 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.509 18.632 17.007 1.00 0.00 H new ATOM 934 N ASP A 60 -3.951 18.779 17.570 1.00 0.00 N ATOM 935 CA ASP A 60 -5.117 18.646 18.435 1.00 0.00 C ATOM 936 C ASP A 60 -5.195 17.243 19.030 1.00 0.00 C ATOM 937 O ASP A 60 -5.453 17.077 20.222 1.00 0.00 O ATOM 938 CB ASP A 60 -6.396 18.954 17.654 1.00 0.00 C ATOM 939 CG ASP A 60 -7.314 19.904 18.398 1.00 0.00 C ATOM 940 OD1 ASP A 60 -7.331 19.857 19.646 1.00 0.00 O ATOM 941 OD2 ASP A 60 -8.015 20.694 17.733 1.00 0.00 O ATOM 0 H ASP A 60 -4.170 18.879 16.579 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.017 19.362 19.251 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.133 19.388 16.689 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.927 18.024 17.451 1.00 0.00 H new ATOM 946 N VAL A 61 -4.973 16.237 18.191 1.00 0.00 N ATOM 947 CA VAL A 61 -5.018 14.848 18.633 1.00 0.00 C ATOM 948 C VAL A 61 -4.026 13.991 17.854 1.00 0.00 C ATOM 949 O VAL A 61 -3.698 14.289 16.705 1.00 0.00 O ATOM 950 CB VAL A 61 -6.430 14.254 18.473 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.588 13.014 19.340 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.487 15.293 18.816 1.00 0.00 C ATOM 0 H VAL A 61 -4.760 16.358 17.201 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.747 14.842 19.689 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.567 13.961 17.432 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.592 12.608 19.214 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.854 12.266 19.042 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.432 13.279 20.386 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.479 14.856 18.697 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.355 15.619 19.848 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.386 16.149 18.149 1.00 0.00 H new ATOM 962 N THR A 62 -3.551 12.923 18.487 1.00 0.00 N ATOM 963 CA THR A 62 -2.596 12.022 17.855 1.00 0.00 C ATOM 964 C THR A 62 -3.236 10.675 17.541 1.00 0.00 C ATOM 965 O THR A 62 -3.615 9.930 18.445 1.00 0.00 O ATOM 966 CB THR A 62 -1.361 11.795 18.748 1.00 0.00 C ATOM 967 OG1 THR A 62 -1.026 13.005 19.437 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.172 11.331 17.920 1.00 0.00 C ATOM 0 H THR A 62 -3.812 12.661 19.437 1.00 0.00 H new ATOM 0 HA THR A 62 -2.281 12.497 16.926 1.00 0.00 H new ATOM 0 HB THR A 62 -1.603 11.019 19.474 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.241 12.852 20.004 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.688 11.177 18.572 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.420 10.395 17.420 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.069 12.088 17.174 1.00 0.00 H new ATOM 976 N VAL A 63 -3.354 10.367 16.253 1.00 0.00 N ATOM 977 CA VAL A 63 -3.947 9.107 15.819 1.00 0.00 C ATOM 978 C VAL A 63 -2.891 8.173 15.240 1.00 0.00 C ATOM 979 O VAL A 63 -1.906 8.620 14.651 1.00 0.00 O ATOM 980 CB VAL A 63 -5.046 9.338 14.765 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.430 9.582 13.396 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.003 8.156 14.726 1.00 0.00 C ATOM 0 H VAL A 63 -3.047 10.973 15.492 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.391 8.646 16.701 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.613 10.226 15.045 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.222 9.743 12.664 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.789 10.463 13.437 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.837 8.715 13.104 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.773 8.336 13.976 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.453 7.250 14.471 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.470 8.034 15.703 1.00 0.00 H new ATOM 992 N THR A 64 -3.102 6.872 15.410 1.00 0.00 N ATOM 993 CA THR A 64 -2.169 5.873 14.905 1.00 0.00 C ATOM 994 C THR A 64 -2.864 4.898 13.962 1.00 0.00 C ATOM 995 O THR A 64 -3.952 4.402 14.257 1.00 0.00 O ATOM 996 CB THR A 64 -1.516 5.082 16.054 1.00 0.00 C ATOM 997 OG1 THR A 64 -1.258 5.951 17.162 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.218 4.435 15.597 1.00 0.00 C ATOM 0 H THR A 64 -3.912 6.485 15.894 1.00 0.00 H new ATOM 0 HA THR A 64 -1.395 6.412 14.359 1.00 0.00 H new ATOM 0 HB THR A 64 -2.206 4.296 16.362 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.844 5.440 17.889 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.224 3.882 16.426 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.423 3.752 14.773 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.476 5.207 15.264 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.229 4.625 12.826 1.00 0.00 N ATOM 1007 CA VAL A 65 -2.786 3.707 11.840 1.00 0.00 C ATOM 1008 C VAL A 65 -1.682 3.006 11.057 1.00 0.00 C ATOM 1009 O VAL A 65 -0.601 3.559 10.857 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.715 4.438 10.854 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.970 5.563 10.151 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.296 3.460 9.844 1.00 0.00 C ATOM 0 H VAL A 65 -1.328 5.027 12.566 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.365 2.965 12.390 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.539 4.876 11.417 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.643 6.068 9.458 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.608 6.277 10.890 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.125 5.151 9.600 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.950 3.994 9.155 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.487 2.990 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.868 2.694 10.367 1.00 0.00 H new ATOM 1022 N GLY A 66 -1.962 1.784 10.613 1.00 0.00 N ATOM 1023 CA GLY A 66 -0.983 1.027 9.856 1.00 0.00 C ATOM 1024 C GLY A 66 -0.893 1.478 8.411 1.00 0.00 C ATOM 1025 O GLY A 66 -1.750 2.221 7.930 1.00 0.00 O ATOM 0 H GLY A 66 -2.850 1.305 10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.005 1.130 10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.243 -0.031 9.888 1.00 0.00 H new ATOM 1029 N LEU A 67 0.148 1.031 7.718 1.00 0.00 N ATOM 1030 CA LEU A 67 0.349 1.394 6.319 1.00 0.00 C ATOM 1031 C LEU A 67 -0.757 0.816 5.442 1.00 0.00 C ATOM 1032 O LEU A 67 -1.512 1.556 4.811 1.00 0.00 O ATOM 1033 CB LEU A 67 1.712 0.899 5.833 1.00 0.00 C ATOM 1034 CG LEU A 67 2.879 1.087 6.802 1.00 0.00 C ATOM 1035 CD1 LEU A 67 3.586 -0.236 7.052 1.00 0.00 C ATOM 1036 CD2 LEU A 67 3.857 2.123 6.265 1.00 0.00 C ATOM 0 H LEU A 67 0.866 0.417 8.102 1.00 0.00 H new ATOM 0 HA LEU A 67 0.317 2.481 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.628 -0.162 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.952 1.413 4.902 1.00 0.00 H new ATOM 0 HG LEU A 67 2.482 1.448 7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.414 -0.081 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.882 -0.949 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.970 -0.627 6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.681 2.244 6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.246 1.791 5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.344 3.077 6.140 1.00 0.00 H new ATOM 1048 N GLU A 68 -0.849 -0.509 5.411 1.00 0.00 N ATOM 1049 CA GLU A 68 -1.864 -1.186 4.612 1.00 0.00 C ATOM 1050 C GLU A 68 -3.256 -0.647 4.932 1.00 0.00 C ATOM 1051 O GLU A 68 -4.072 -0.436 4.036 1.00 0.00 O ATOM 1052 CB GLU A 68 -1.819 -2.695 4.861 1.00 0.00 C ATOM 1053 CG GLU A 68 -0.469 -3.322 4.560 1.00 0.00 C ATOM 1054 CD GLU A 68 -0.589 -4.723 3.992 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -0.782 -5.669 4.784 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -0.491 -4.873 2.756 1.00 0.00 O ATOM 0 H GLU A 68 -0.233 -1.135 5.930 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.651 -0.993 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.077 -2.891 5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.579 -3.179 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.070 -2.692 3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.124 -3.354 5.474 1.00 0.00 H new ATOM 1063 N ASP A 69 -3.518 -0.429 6.216 1.00 0.00 N ATOM 1064 CA ASP A 69 -4.810 0.085 6.656 1.00 0.00 C ATOM 1065 C ASP A 69 -5.177 1.355 5.895 1.00 0.00 C ATOM 1066 O ASP A 69 -6.219 1.420 5.243 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.786 0.365 8.159 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.115 -0.745 8.945 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -3.584 -0.460 10.039 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -4.122 -1.898 8.466 1.00 0.00 O ATOM 0 H ASP A 69 -2.853 -0.600 6.970 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.565 -0.673 6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.263 1.303 8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.807 0.494 8.518 1.00 0.00 H new ATOM 1075 N MET A 70 -4.314 2.362 5.984 1.00 0.00 N ATOM 1076 CA MET A 70 -4.549 3.630 5.303 1.00 0.00 C ATOM 1077 C MET A 70 -4.582 3.438 3.790 1.00 0.00 C ATOM 1078 O MET A 70 -5.333 4.112 3.084 1.00 0.00 O ATOM 1079 CB MET A 70 -3.463 4.642 5.676 1.00 0.00 C ATOM 1080 CG MET A 70 -3.668 5.277 7.042 1.00 0.00 C ATOM 1081 SD MET A 70 -4.190 6.999 6.936 1.00 0.00 S ATOM 1082 CE MET A 70 -2.652 7.842 7.298 1.00 0.00 C ATOM 0 H MET A 70 -3.447 2.325 6.520 1.00 0.00 H new ATOM 0 HA MET A 70 -5.518 4.011 5.624 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.493 4.145 5.657 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.434 5.427 4.920 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.416 4.708 7.594 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.739 5.217 7.609 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.834 8.914 7.375 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.248 7.474 8.241 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.936 7.652 6.498 1.00 0.00 H new ATOM 1092 N LEU A 71 -3.764 2.514 3.298 1.00 0.00 N ATOM 1093 CA LEU A 71 -3.699 2.232 1.868 1.00 0.00 C ATOM 1094 C LEU A 71 -5.082 1.902 1.315 1.00 0.00 C ATOM 1095 O LEU A 71 -5.423 2.287 0.197 1.00 0.00 O ATOM 1096 CB LEU A 71 -2.740 1.072 1.599 1.00 0.00 C ATOM 1097 CG LEU A 71 -2.412 0.798 0.131 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -1.068 0.098 0.006 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -3.511 -0.033 -0.515 1.00 0.00 C ATOM 0 H LEU A 71 -3.136 1.947 3.868 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.329 3.125 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.807 1.268 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.167 0.167 2.030 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.351 1.752 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.852 -0.089 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.288 0.730 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.100 -0.850 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.261 -0.218 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.604 -0.984 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.456 0.507 -0.459 1.00 0.00 H new ATOM 1111 N ALA A 72 -5.876 1.189 2.108 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.223 0.811 1.700 1.00 0.00 C ATOM 1113 C ALA A 72 -8.165 2.010 1.738 1.00 0.00 C ATOM 1114 O ALA A 72 -9.064 2.131 0.906 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.750 -0.306 2.589 1.00 0.00 C ATOM 0 H ALA A 72 -5.609 0.862 3.037 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.177 0.451 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.757 -0.578 2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.097 -1.175 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.774 0.034 3.624 1.00 0.00 H new ATOM 1121 N ILE A 73 -7.953 2.892 2.709 1.00 0.00 N ATOM 1122 CA ILE A 73 -8.783 4.081 2.854 1.00 0.00 C ATOM 1123 C ILE A 73 -8.439 5.124 1.797 1.00 0.00 C ATOM 1124 O ILE A 73 -9.269 5.465 0.953 1.00 0.00 O ATOM 1125 CB ILE A 73 -8.625 4.711 4.251 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -8.685 3.629 5.331 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -9.702 5.760 4.483 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -8.452 4.158 6.729 1.00 0.00 C ATOM 0 H ILE A 73 -7.214 2.806 3.407 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.817 3.762 2.723 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.652 5.199 4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.660 3.143 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.939 2.865 5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.577 6.196 5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.616 6.542 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.685 5.294 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.509 3.336 7.443 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.466 4.619 6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.213 4.900 6.969 1.00 0.00 H new ATOM 1140 N SER A 74 -7.210 5.627 1.847 1.00 0.00 N ATOM 1141 CA SER A 74 -6.756 6.633 0.894 1.00 0.00 C ATOM 1142 C SER A 74 -6.918 6.137 -0.539 1.00 0.00 C ATOM 1143 O SER A 74 -7.146 6.922 -1.458 1.00 0.00 O ATOM 1144 CB SER A 74 -5.292 6.993 1.158 1.00 0.00 C ATOM 1145 OG SER A 74 -5.110 8.398 1.189 1.00 0.00 O ATOM 0 H SER A 74 -6.511 5.354 2.537 1.00 0.00 H new ATOM 0 HA SER A 74 -7.371 7.523 1.024 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.973 6.561 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.662 6.559 0.382 1.00 0.00 H new ATOM 0 HG SER A 74 -4.364 8.644 0.604 1.00 0.00 H new ATOM 1151 N GLY A 75 -6.799 4.825 -0.722 1.00 0.00 N ATOM 1152 CA GLY A 75 -6.935 4.245 -2.045 1.00 0.00 C ATOM 1153 C GLY A 75 -8.379 4.170 -2.500 1.00 0.00 C ATOM 1154 O GLY A 75 -8.667 3.721 -3.609 1.00 0.00 O ATOM 0 H GLY A 75 -6.611 4.154 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.363 4.838 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.505 3.243 -2.045 1.00 0.00 H new ATOM 1158 N LYS A 76 -9.292 4.611 -1.640 1.00 0.00 N ATOM 1159 CA LYS A 76 -10.715 4.592 -1.958 1.00 0.00 C ATOM 1160 C LYS A 76 -11.219 3.161 -2.116 1.00 0.00 C ATOM 1161 O LYS A 76 -11.771 2.798 -3.155 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.982 5.383 -3.240 1.00 0.00 C ATOM 1163 CG LYS A 76 -12.347 6.049 -3.271 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.888 6.148 -4.688 1.00 0.00 C ATOM 1165 CE LYS A 76 -12.484 7.457 -5.349 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.159 7.646 -6.662 1.00 0.00 N ATOM 0 H LYS A 76 -9.071 4.986 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.253 5.058 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.212 6.146 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.895 4.713 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.044 5.482 -2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.276 7.046 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.517 5.311 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.975 6.069 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.733 8.289 -4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.403 7.474 -5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.858 8.549 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.902 6.866 -7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.190 7.655 -6.524 1.00 0.00 H new ATOM 1180 N THR A 77 -11.026 2.353 -1.079 1.00 0.00 N ATOM 1181 CA THR A 77 -11.461 0.962 -1.103 1.00 0.00 C ATOM 1182 C THR A 77 -12.232 0.605 0.163 1.00 0.00 C ATOM 1183 O THR A 77 -13.400 0.218 0.102 1.00 0.00 O ATOM 1184 CB THR A 77 -10.265 0.002 -1.250 1.00 0.00 C ATOM 1185 OG1 THR A 77 -9.439 0.412 -2.345 1.00 0.00 O ATOM 1186 CG2 THR A 77 -10.741 -1.425 -1.474 1.00 0.00 C ATOM 0 H THR A 77 -10.571 2.638 -0.212 1.00 0.00 H new ATOM 0 HA THR A 77 -12.116 0.850 -1.967 1.00 0.00 H new ATOM 0 HB THR A 77 -9.686 0.035 -0.327 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.680 -0.202 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.879 -2.084 -1.575 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.345 -1.745 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.341 -1.470 -2.383 1.00 0.00 H new ATOM 1194 N LEU A 78 -11.573 0.737 1.309 1.00 0.00 N ATOM 1195 CA LEU A 78 -12.197 0.429 2.591 1.00 0.00 C ATOM 1196 C LEU A 78 -12.949 1.640 3.135 1.00 0.00 C ATOM 1197 O LEU A 78 -12.820 2.750 2.617 1.00 0.00 O ATOM 1198 CB LEU A 78 -11.140 -0.025 3.599 1.00 0.00 C ATOM 1199 CG LEU A 78 -11.094 -1.524 3.893 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -9.845 -1.874 4.687 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -12.344 -1.960 4.643 1.00 0.00 C ATOM 0 H LEU A 78 -10.606 1.055 1.377 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.912 -0.379 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.161 0.283 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.310 0.504 4.537 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.059 -2.059 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.829 -2.945 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.960 -1.599 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.849 -1.329 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.293 -3.030 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.411 -1.417 5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.225 -1.746 4.038 1.00 0.00 H new ATOM 1213 N THR A 79 -13.734 1.419 4.185 1.00 0.00 N ATOM 1214 CA THR A 79 -14.506 2.491 4.800 1.00 0.00 C ATOM 1215 C THR A 79 -14.087 2.708 6.250 1.00 0.00 C ATOM 1216 O THR A 79 -13.626 1.783 6.918 1.00 0.00 O ATOM 1217 CB THR A 79 -16.017 2.194 4.754 1.00 0.00 C ATOM 1218 OG1 THR A 79 -16.325 1.088 5.610 1.00 0.00 O ATOM 1219 CG2 THR A 79 -16.464 1.881 3.333 1.00 0.00 C ATOM 0 H THR A 79 -13.852 0.507 4.627 1.00 0.00 H new ATOM 0 HA THR A 79 -14.303 3.395 4.226 1.00 0.00 H new ATOM 0 HB THR A 79 -16.550 3.080 5.099 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.287 0.907 5.577 1.00 0.00 H new ATOM 0 HG21 THR A 79 -17.534 1.675 3.325 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.255 2.735 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 79 -15.924 1.009 2.965 1.00 0.00 H new ATOM 1227 N VAL A 80 -14.251 3.937 6.730 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.891 4.275 8.102 1.00 0.00 C ATOM 1229 C VAL A 80 -14.506 3.291 9.090 1.00 0.00 C ATOM 1230 O VAL A 80 -13.890 2.936 10.094 1.00 0.00 O ATOM 1231 CB VAL A 80 -14.344 5.701 8.466 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.381 6.730 7.894 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -15.761 5.952 7.971 1.00 0.00 C ATOM 0 H VAL A 80 -14.630 4.714 6.189 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.804 4.219 8.167 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.340 5.799 9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.718 7.732 8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -12.384 6.561 8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.350 6.636 6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.065 6.964 8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.794 5.836 6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.440 5.236 8.434 1.00 0.00 H new ATOM 1243 N GLY A 81 -15.727 2.852 8.798 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.406 1.911 9.671 1.00 0.00 C ATOM 1245 C GLY A 81 -15.675 0.588 9.777 1.00 0.00 C ATOM 1246 O GLY A 81 -15.496 0.056 10.873 1.00 0.00 O ATOM 0 H GLY A 81 -16.258 3.131 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.505 2.348 10.664 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.415 1.736 9.297 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.254 0.053 8.636 1.00 0.00 N ATOM 1251 CA ASP A 82 -14.539 -1.218 8.605 1.00 0.00 C ATOM 1252 C ASP A 82 -13.256 -1.140 9.427 1.00 0.00 C ATOM 1253 O ASP A 82 -12.997 -1.994 10.274 1.00 0.00 O ATOM 1254 CB ASP A 82 -14.213 -1.609 7.163 1.00 0.00 C ATOM 1255 CG ASP A 82 -14.850 -2.925 6.761 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -14.109 -3.841 6.346 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -16.089 -3.039 6.863 1.00 0.00 O ATOM 0 H ASP A 82 -15.395 0.480 7.720 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.184 -1.980 9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.555 -0.823 6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.132 -1.681 7.045 1.00 0.00 H new ATOM 1262 N ALA A 83 -12.456 -0.111 9.169 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.201 0.079 9.885 1.00 0.00 C ATOM 1264 C ALA A 83 -11.442 0.245 11.382 1.00 0.00 C ATOM 1265 O ALA A 83 -10.629 -0.182 12.203 1.00 0.00 O ATOM 1266 CB ALA A 83 -10.455 1.284 9.332 1.00 0.00 C ATOM 0 H ALA A 83 -12.655 0.604 8.469 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.590 -0.812 9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.520 1.414 9.876 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.241 1.126 8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.069 2.177 9.448 1.00 0.00 H new ATOM 1272 N LEU A 84 -12.563 0.867 11.730 1.00 0.00 N ATOM 1273 CA LEU A 84 -12.911 1.090 13.129 1.00 0.00 C ATOM 1274 C LEU A 84 -13.285 -0.222 13.813 1.00 0.00 C ATOM 1275 O LEU A 84 -12.756 -0.554 14.874 1.00 0.00 O ATOM 1276 CB LEU A 84 -14.071 2.081 13.234 1.00 0.00 C ATOM 1277 CG LEU A 84 -14.060 3.000 14.457 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -12.809 3.865 14.463 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -15.310 3.867 14.484 1.00 0.00 C ATOM 0 H LEU A 84 -13.246 1.226 11.063 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.039 1.506 13.633 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -14.075 2.702 12.338 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.004 1.518 13.236 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.053 2.380 15.353 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.818 4.512 15.340 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.926 3.227 14.492 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.785 4.477 13.561 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -15.285 4.514 15.361 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.348 4.479 13.583 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.194 3.230 14.528 1.00 0.00 H new ATOM 1291 N LYS A 85 -14.197 -0.965 13.196 1.00 0.00 N ATOM 1292 CA LYS A 85 -14.639 -2.243 13.743 1.00 0.00 C ATOM 1293 C LYS A 85 -13.469 -3.211 13.878 1.00 0.00 C ATOM 1294 O LYS A 85 -13.334 -3.898 14.890 1.00 0.00 O ATOM 1295 CB LYS A 85 -15.721 -2.855 12.850 1.00 0.00 C ATOM 1296 CG LYS A 85 -16.049 -4.298 13.194 1.00 0.00 C ATOM 1297 CD LYS A 85 -17.548 -4.547 13.183 1.00 0.00 C ATOM 1298 CE LYS A 85 -17.875 -5.993 13.525 1.00 0.00 C ATOM 1299 NZ LYS A 85 -17.180 -6.948 12.618 1.00 0.00 N ATOM 0 H LYS A 85 -14.645 -0.705 12.317 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.053 -2.062 14.735 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.628 -2.256 12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -15.395 -2.803 11.811 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.564 -4.963 12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -15.646 -4.539 14.178 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.033 -3.884 13.899 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -17.951 -4.304 12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.587 -6.196 14.556 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.952 -6.147 13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.601 -7.893 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -17.282 -6.629 11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.171 -6.990 12.865 1.00 0.00 H new ATOM 1313 N GLN A 86 -12.625 -3.260 12.852 1.00 0.00 N ATOM 1314 CA GLN A 86 -11.466 -4.144 12.858 1.00 0.00 C ATOM 1315 C GLN A 86 -10.411 -3.652 13.844 1.00 0.00 C ATOM 1316 O GLN A 86 -9.726 -4.449 14.484 1.00 0.00 O ATOM 1317 CB GLN A 86 -10.864 -4.241 11.455 1.00 0.00 C ATOM 1318 CG GLN A 86 -11.798 -4.870 10.434 1.00 0.00 C ATOM 1319 CD GLN A 86 -11.128 -5.102 9.095 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -9.904 -5.216 9.011 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -11.927 -5.173 8.037 1.00 0.00 N ATOM 0 H GLN A 86 -12.722 -2.698 12.006 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.798 -5.134 13.172 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.589 -3.242 11.117 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.945 -4.825 11.503 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.166 -5.820 10.821 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.665 -4.225 10.295 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.936 -5.073 8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.532 -5.327 7.109 1.00 0.00 H new ATOM 1330 N GLY A 87 -10.286 -2.334 13.961 1.00 0.00 N ATOM 1331 CA GLY A 87 -9.312 -1.759 14.870 1.00 0.00 C ATOM 1332 C GLY A 87 -8.016 -1.391 14.175 1.00 0.00 C ATOM 1333 O GLY A 87 -6.943 -1.451 14.775 1.00 0.00 O ATOM 0 H GLY A 87 -10.842 -1.654 13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.736 -0.870 15.336 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.103 -2.469 15.670 1.00 0.00 H new ATOM 1337 N LYS A 88 -8.114 -1.012 12.905 1.00 0.00 N ATOM 1338 CA LYS A 88 -6.941 -0.634 12.126 1.00 0.00 C ATOM 1339 C LYS A 88 -6.464 0.764 12.506 1.00 0.00 C ATOM 1340 O LYS A 88 -5.266 1.048 12.483 1.00 0.00 O ATOM 1341 CB LYS A 88 -7.258 -0.688 10.630 1.00 0.00 C ATOM 1342 CG LYS A 88 -8.015 -1.937 10.213 1.00 0.00 C ATOM 1343 CD LYS A 88 -7.294 -3.199 10.656 1.00 0.00 C ATOM 1344 CE LYS A 88 -7.188 -4.207 9.521 1.00 0.00 C ATOM 1345 NZ LYS A 88 -5.792 -4.328 9.016 1.00 0.00 N ATOM 0 H LYS A 88 -8.995 -0.959 12.393 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.144 -1.343 12.348 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.845 0.190 10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.326 -0.634 10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.016 -1.918 10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.135 -1.946 9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.296 -2.943 11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.826 -3.648 11.495 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.535 -5.181 9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.845 -3.906 8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.794 -4.831 8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.386 -3.379 8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.219 -4.858 9.703 1.00 0.00 H new ATOM 1359 N ILE A 89 -7.407 1.632 12.856 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.081 2.999 13.243 1.00 0.00 C ATOM 1361 C ILE A 89 -7.264 3.204 14.743 1.00 0.00 C ATOM 1362 O ILE A 89 -8.386 3.196 15.248 1.00 0.00 O ATOM 1363 CB ILE A 89 -7.951 4.020 12.487 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -8.102 3.608 11.021 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -7.345 5.412 12.592 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -8.958 4.557 10.213 1.00 0.00 C ATOM 0 H ILE A 89 -8.403 1.413 12.880 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.035 3.160 12.982 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.941 4.040 12.943 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.114 3.546 10.566 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.538 2.610 10.975 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.971 6.123 12.053 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.284 5.704 13.640 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.345 5.407 12.158 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.022 4.203 9.184 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.958 4.601 10.644 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.512 5.552 10.228 1.00 0.00 H new ATOM 1378 N GLU A 90 -6.153 3.389 15.450 1.00 0.00 N ATOM 1379 CA GLU A 90 -6.191 3.597 16.892 1.00 0.00 C ATOM 1380 C GLU A 90 -6.267 5.084 17.225 1.00 0.00 C ATOM 1381 O GLU A 90 -5.736 5.923 16.496 1.00 0.00 O ATOM 1382 CB GLU A 90 -4.958 2.977 17.553 1.00 0.00 C ATOM 1383 CG GLU A 90 -5.186 2.557 18.995 1.00 0.00 C ATOM 1384 CD GLU A 90 -6.041 1.310 19.112 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -7.265 1.447 19.318 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -5.486 0.197 18.997 1.00 0.00 O ATOM 0 H GLU A 90 -5.216 3.399 15.047 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.085 3.109 17.280 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.645 2.107 16.975 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.138 3.694 17.518 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.223 2.379 19.474 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.665 3.373 19.536 1.00 0.00 H new ATOM 1393 N LEU A 91 -6.930 5.404 18.331 1.00 0.00 N ATOM 1394 CA LEU A 91 -7.076 6.790 18.762 1.00 0.00 C ATOM 1395 C LEU A 91 -6.343 7.031 20.078 1.00 0.00 C ATOM 1396 O LEU A 91 -5.958 6.087 20.767 1.00 0.00 O ATOM 1397 CB LEU A 91 -8.556 7.143 18.917 1.00 0.00 C ATOM 1398 CG LEU A 91 -9.492 5.981 19.254 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -10.647 6.460 20.120 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -10.012 5.330 17.981 1.00 0.00 C ATOM 0 H LEU A 91 -7.375 4.722 18.946 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.634 7.431 17.999 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.649 7.897 19.699 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.898 7.602 17.990 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.928 5.236 19.816 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.302 5.620 20.350 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.257 6.880 21.047 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.211 7.224 19.585 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.676 4.505 18.239 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.560 6.067 17.393 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.173 4.951 17.397 1.00 0.00 H new ATOM 1412 N SER A 92 -6.157 8.302 20.421 1.00 0.00 N ATOM 1413 CA SER A 92 -5.469 8.668 21.653 1.00 0.00 C ATOM 1414 C SER A 92 -5.535 10.174 21.886 1.00 0.00 C ATOM 1415 O SER A 92 -4.916 10.953 21.163 1.00 0.00 O ATOM 1416 CB SER A 92 -4.009 8.212 21.602 1.00 0.00 C ATOM 1417 OG SER A 92 -3.656 7.776 20.301 1.00 0.00 O ATOM 0 H SER A 92 -6.473 9.095 19.863 1.00 0.00 H new ATOM 0 HA SER A 92 -5.970 8.168 22.482 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.358 9.033 21.903 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.852 7.403 22.315 1.00 0.00 H new ATOM 0 HG SER A 92 -3.669 8.539 19.686 1.00 0.00 H new ATOM 1423 N GLY A 93 -6.292 10.577 22.902 1.00 0.00 N ATOM 1424 CA GLY A 93 -6.427 11.988 23.213 1.00 0.00 C ATOM 1425 C GLY A 93 -7.680 12.596 22.616 1.00 0.00 C ATOM 1426 O GLY A 93 -8.138 12.174 21.554 1.00 0.00 O ATOM 0 H GLY A 93 -6.814 9.951 23.515 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.444 12.118 24.295 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.554 12.524 22.841 1.00 0.00 H new ATOM 1430 N ASP A 94 -8.238 13.589 23.300 1.00 0.00 N ATOM 1431 CA ASP A 94 -9.447 14.256 22.831 1.00 0.00 C ATOM 1432 C ASP A 94 -10.434 13.248 22.253 1.00 0.00 C ATOM 1433 O ASP A 94 -10.500 13.054 21.040 1.00 0.00 O ATOM 1434 CB ASP A 94 -9.098 15.309 21.778 1.00 0.00 C ATOM 1435 CG ASP A 94 -7.824 16.061 22.110 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -6.732 15.472 21.966 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -7.919 17.239 22.514 1.00 0.00 O ATOM 0 H ASP A 94 -7.872 13.950 24.181 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.915 14.748 23.684 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.988 14.825 20.807 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.922 16.017 21.690 1.00 0.00 H new ATOM 1442 N ALA A 95 -11.200 12.607 23.130 1.00 0.00 N ATOM 1443 CA ALA A 95 -12.184 11.619 22.707 1.00 0.00 C ATOM 1444 C ALA A 95 -13.205 12.234 21.756 1.00 0.00 C ATOM 1445 O ALA A 95 -13.694 11.571 20.841 1.00 0.00 O ATOM 1446 CB ALA A 95 -12.883 11.018 23.918 1.00 0.00 C ATOM 0 H ALA A 95 -11.158 12.755 24.138 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.660 10.826 22.173 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.615 10.282 23.587 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.147 10.534 24.560 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.388 11.807 24.475 1.00 0.00 H new ATOM 1452 N ASP A 96 -13.523 13.505 21.978 1.00 0.00 N ATOM 1453 CA ASP A 96 -14.486 14.210 21.140 1.00 0.00 C ATOM 1454 C ASP A 96 -13.921 14.446 19.743 1.00 0.00 C ATOM 1455 O ASP A 96 -14.532 14.069 18.742 1.00 0.00 O ATOM 1456 CB ASP A 96 -14.871 15.544 21.780 1.00 0.00 C ATOM 1457 CG ASP A 96 -16.225 16.041 21.313 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -16.306 17.199 20.851 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -17.204 15.273 21.409 1.00 0.00 O ATOM 0 H ASP A 96 -13.128 14.068 22.731 1.00 0.00 H new ATOM 0 HA ASP A 96 -15.377 13.588 21.052 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -14.882 15.434 22.864 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -14.112 16.290 21.543 1.00 0.00 H new ATOM 1464 N LEU A 97 -12.751 15.072 19.682 1.00 0.00 N ATOM 1465 CA LEU A 97 -12.102 15.360 18.407 1.00 0.00 C ATOM 1466 C LEU A 97 -11.940 14.088 17.580 1.00 0.00 C ATOM 1467 O LEU A 97 -12.409 14.010 16.445 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.736 16.007 18.642 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.664 17.519 18.423 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -10.174 18.218 19.681 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.758 17.844 17.244 1.00 0.00 C ATOM 0 H LEU A 97 -12.232 15.390 20.500 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.735 16.054 17.853 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.426 15.793 19.665 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.012 15.529 17.982 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.667 17.882 18.197 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.129 19.293 19.506 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.860 18.012 20.502 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.180 17.851 19.938 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.718 18.924 17.102 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.755 17.467 17.441 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.151 17.374 16.343 1.00 0.00 H new ATOM 1483 N ALA A 98 -11.273 13.094 18.157 1.00 0.00 N ATOM 1484 CA ALA A 98 -11.053 11.825 17.475 1.00 0.00 C ATOM 1485 C ALA A 98 -12.366 11.238 16.969 1.00 0.00 C ATOM 1486 O ALA A 98 -12.391 10.517 15.972 1.00 0.00 O ATOM 1487 CB ALA A 98 -10.357 10.841 18.404 1.00 0.00 C ATOM 0 H ALA A 98 -10.876 13.143 19.095 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.412 12.011 16.613 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.199 9.897 17.882 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.395 11.250 18.713 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.978 10.669 19.283 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.456 11.552 17.662 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.773 11.057 17.281 1.00 0.00 C ATOM 1495 C ALA A 99 -15.290 11.774 16.039 1.00 0.00 C ATOM 1496 O ALA A 99 -16.038 11.202 15.245 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.752 11.221 18.434 1.00 0.00 C ATOM 0 H ALA A 99 -13.453 12.147 18.490 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.682 9.997 17.045 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.731 10.847 18.136 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.396 10.658 19.297 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.831 12.276 18.697 1.00 0.00 H new ATOM 1503 N LYS A 100 -14.889 13.030 15.876 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.312 13.826 14.730 1.00 0.00 C ATOM 1505 C LYS A 100 -15.022 13.095 13.423 1.00 0.00 C ATOM 1506 O LYS A 100 -15.904 12.945 12.576 1.00 0.00 O ATOM 1507 CB LYS A 100 -14.602 15.182 14.735 1.00 0.00 C ATOM 1508 CG LYS A 100 -14.753 15.942 16.042 1.00 0.00 C ATOM 1509 CD LYS A 100 -14.013 17.269 16.004 1.00 0.00 C ATOM 1510 CE LYS A 100 -14.879 18.375 15.422 1.00 0.00 C ATOM 1511 NZ LYS A 100 -15.168 19.438 16.424 1.00 0.00 N ATOM 0 H LYS A 100 -14.271 13.519 16.524 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.388 13.985 14.807 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -13.542 15.028 14.534 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.996 15.792 13.922 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.810 16.119 16.241 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -14.372 15.335 16.863 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.702 17.542 17.012 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.106 17.164 15.408 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.376 18.815 14.561 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.816 17.951 15.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.761 20.173 15.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.670 19.023 17.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.275 19.861 16.749 1.00 0.00 H new ATOM 1525 N LEU A 101 -13.784 12.640 13.266 1.00 0.00 N ATOM 1526 CA LEU A 101 -13.379 11.922 12.063 1.00 0.00 C ATOM 1527 C LEU A 101 -14.289 10.724 11.811 1.00 0.00 C ATOM 1528 O LEU A 101 -14.400 10.242 10.684 1.00 0.00 O ATOM 1529 CB LEU A 101 -11.927 11.457 12.187 1.00 0.00 C ATOM 1530 CG LEU A 101 -10.886 12.556 12.398 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -9.499 11.953 12.561 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -10.908 13.542 11.239 1.00 0.00 C ATOM 0 H LEU A 101 -13.043 12.756 13.957 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.465 12.604 11.217 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -11.861 10.757 13.020 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -11.665 10.905 11.285 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.135 13.095 13.312 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.771 12.750 12.710 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.491 11.288 13.424 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.240 11.388 11.665 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.160 14.317 11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.684 13.017 10.310 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.895 13.999 11.169 1.00 0.00 H new ATOM 1544 N ALA A 102 -14.941 10.250 12.868 1.00 0.00 N ATOM 1545 CA ALA A 102 -15.845 9.112 12.761 1.00 0.00 C ATOM 1546 C ALA A 102 -17.142 9.505 12.061 1.00 0.00 C ATOM 1547 O ALA A 102 -17.789 8.675 11.423 1.00 0.00 O ATOM 1548 CB ALA A 102 -16.139 8.540 14.140 1.00 0.00 C ATOM 0 H ALA A 102 -14.860 10.637 13.808 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.356 8.346 12.159 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -16.815 7.691 14.045 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -15.209 8.213 14.604 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -16.604 9.306 14.760 1.00 0.00 H new