USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 CYS SG : rot 55:sc= -0.824 USER MOD Single : A 12 LYS NZ :NH3+ -112:sc= 2.06 (180deg=0.81) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 1.48 (180deg=1.42) USER MOD Single : A 22 CYS SG : rot -9:sc= -0.005 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -150:sc= -0.0291 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0501) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00282 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0143 F(o=-1.5!,f=-0.014) USER MOD Single : A 53 HIS : no HD1:sc= -0.0709 X(o=-0.071,f=-0.092) USER MOD Single : A 57 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.01) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 65 LYS NZ :NH3+ -123:sc= 1.14 (180deg=-0.332) USER MOD Single : A 68 SER OG : rot 167:sc= 0.813 USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= 1.68 (180deg=0.512) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.0326 (180deg=-0.266) USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= 1.2 (180deg=-0.486!) USER MOD Single : A 79 SER OG : rot -34:sc= 0.195 USER MOD Single : A 80 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.16) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 84 TYR OH : rot 30:sc= -0.177 USER MOD Single : A 85 MET CE :methyl -163:sc= 0 (180deg=-0.23) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 0.0408 (180deg=-0.182) USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= -0.0395 (180deg=-0.298) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 2.804 9.921 -7.627 1.00 0.00 N ATOM 45 CA ILE A 4 2.977 9.376 -6.286 1.00 0.00 C ATOM 46 C ILE A 4 2.473 10.374 -5.246 1.00 0.00 C ATOM 47 O ILE A 4 3.158 11.340 -4.910 1.00 0.00 O ATOM 48 CB ILE A 4 4.457 9.012 -5.975 1.00 0.00 C ATOM 49 CG1 ILE A 4 4.989 7.945 -6.950 1.00 0.00 C ATOM 50 CG2 ILE A 4 4.594 8.523 -4.539 1.00 0.00 C ATOM 51 CD1 ILE A 4 5.391 8.484 -8.310 1.00 0.00 C ATOM 0 HA ILE A 4 2.394 8.456 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 4 5.054 9.915 -6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.851 7.455 -6.498 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.223 7.181 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.636 8.273 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.271 9.308 -3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.974 7.638 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.754 7.666 -8.933 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.528 8.948 -8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.181 9.225 -8.189 1.00 0.00 H new ATOM 63 N GLU A 5 1.264 10.144 -4.763 1.00 0.00 N ATOM 64 CA GLU A 5 0.658 11.005 -3.764 1.00 0.00 C ATOM 65 C GLU A 5 0.391 10.223 -2.488 1.00 0.00 C ATOM 66 O GLU A 5 0.217 9.003 -2.525 1.00 0.00 O ATOM 67 CB GLU A 5 -0.652 11.595 -4.292 1.00 0.00 C ATOM 68 CG GLU A 5 -0.461 12.671 -5.349 1.00 0.00 C ATOM 69 CD GLU A 5 0.234 13.901 -4.803 1.00 0.00 C ATOM 70 OE1 GLU A 5 -0.147 14.366 -3.708 1.00 0.00 O ATOM 71 OE2 GLU A 5 1.169 14.405 -5.461 1.00 0.00 O ATOM 0 H GLU A 5 0.678 9.360 -5.051 1.00 0.00 H new ATOM 0 HA GLU A 5 1.350 11.819 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.258 10.792 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.213 12.015 -3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.122 12.265 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.432 12.956 -5.753 1.00 0.00 H new ATOM 78 N VAL A 6 0.375 10.928 -1.366 1.00 0.00 N ATOM 79 CA VAL A 6 0.075 10.310 -0.086 1.00 0.00 C ATOM 80 C VAL A 6 -1.327 9.696 -0.088 1.00 0.00 C ATOM 81 O VAL A 6 -2.309 10.331 -0.484 1.00 0.00 O ATOM 82 CB VAL A 6 0.211 11.310 1.084 1.00 0.00 C ATOM 83 CG1 VAL A 6 1.666 11.709 1.274 1.00 0.00 C ATOM 84 CG2 VAL A 6 -0.654 12.547 0.861 1.00 0.00 C ATOM 0 H VAL A 6 0.567 11.929 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 6 0.809 9.517 0.062 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.140 10.815 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.745 12.414 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.261 10.822 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.037 12.177 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.535 13.230 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.346 13.046 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.700 12.250 0.780 1.00 0.00 H new ATOM 94 N GLY A 7 -1.402 8.441 0.328 1.00 0.00 N ATOM 95 CA GLY A 7 -2.676 7.756 0.381 1.00 0.00 C ATOM 96 C GLY A 7 -2.995 7.012 -0.901 1.00 0.00 C ATOM 97 O GLY A 7 -4.026 6.351 -1.002 1.00 0.00 O ATOM 0 H GLY A 7 -0.602 7.884 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.671 7.052 1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.465 8.481 0.582 1.00 0.00 H new ATOM 101 N ARG A 8 -2.116 7.118 -1.888 1.00 0.00 N ATOM 102 CA ARG A 8 -2.338 6.453 -3.164 1.00 0.00 C ATOM 103 C ARG A 8 -1.700 5.068 -3.150 1.00 0.00 C ATOM 104 O ARG A 8 -0.487 4.930 -2.974 1.00 0.00 O ATOM 105 CB ARG A 8 -1.783 7.305 -4.309 1.00 0.00 C ATOM 106 CG ARG A 8 -2.240 6.859 -5.686 1.00 0.00 C ATOM 107 CD ARG A 8 -1.868 7.888 -6.741 1.00 0.00 C ATOM 108 NE ARG A 8 -2.366 7.524 -8.065 1.00 0.00 N ATOM 109 CZ ARG A 8 -2.681 8.407 -9.013 1.00 0.00 C ATOM 110 NH1 ARG A 8 -2.586 9.713 -8.772 1.00 0.00 N ATOM 111 NH2 ARG A 8 -3.094 7.976 -10.200 1.00 0.00 N ATOM 0 H ARG A 8 -1.250 7.653 -1.831 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.410 6.333 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.083 8.342 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.694 7.280 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.785 5.900 -5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.320 6.708 -5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.272 8.860 -6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.784 7.992 -6.778 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.480 6.533 -8.277 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.271 10.042 -7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.828 10.385 -9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.168 6.975 -10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.337 8.646 -10.930 1.00 0.00 H new ATOM 125 N ILE A 9 -2.533 4.053 -3.330 1.00 0.00 N ATOM 126 CA ILE A 9 -2.093 2.665 -3.265 1.00 0.00 C ATOM 127 C ILE A 9 -1.186 2.326 -4.443 1.00 0.00 C ATOM 128 O ILE A 9 -1.546 2.544 -5.597 1.00 0.00 O ATOM 129 CB ILE A 9 -3.302 1.703 -3.264 1.00 0.00 C ATOM 130 CG1 ILE A 9 -4.310 2.117 -2.190 1.00 0.00 C ATOM 131 CG2 ILE A 9 -2.839 0.271 -3.036 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.596 1.319 -2.222 1.00 0.00 C ATOM 0 H ILE A 9 -3.528 4.166 -3.524 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.536 2.543 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.791 1.757 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.848 2.006 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.546 3.174 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.702 -0.395 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.154 -0.021 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.330 0.202 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.261 1.669 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.081 1.449 -3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.373 0.263 -2.067 1.00 0.00 H new ATOM 144 N CYS A 10 -0.011 1.799 -4.146 1.00 0.00 N ATOM 145 CA CYS A 10 0.935 1.415 -5.182 1.00 0.00 C ATOM 146 C CYS A 10 1.430 -0.006 -4.929 1.00 0.00 C ATOM 147 O CYS A 10 1.561 -0.427 -3.776 1.00 0.00 O ATOM 148 CB CYS A 10 2.101 2.402 -5.209 1.00 0.00 C ATOM 149 SG CYS A 10 1.594 4.132 -5.355 1.00 0.00 S ATOM 0 H CYS A 10 0.312 1.626 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 10 0.441 1.439 -6.154 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.688 2.281 -4.298 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.755 2.154 -6.045 1.00 0.00 H new ATOM 0 HG CYS A 10 0.765 4.423 -4.397 1.00 0.00 H new ATOM 155 N VAL A 11 1.679 -0.762 -5.995 1.00 0.00 N ATOM 156 CA VAL A 11 2.025 -2.169 -5.849 1.00 0.00 C ATOM 157 C VAL A 11 2.936 -2.672 -6.976 1.00 0.00 C ATOM 158 O VAL A 11 2.801 -2.246 -8.118 1.00 0.00 O ATOM 159 CB VAL A 11 0.747 -3.043 -5.787 1.00 0.00 C ATOM 160 CG1 VAL A 11 -0.114 -2.839 -7.026 1.00 0.00 C ATOM 161 CG2 VAL A 11 1.093 -4.513 -5.611 1.00 0.00 C ATOM 0 H VAL A 11 1.648 -0.427 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 11 2.577 -2.256 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 11 0.173 -2.726 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.004 -3.464 -6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.410 -1.792 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.455 -3.115 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.176 -5.100 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.701 -4.847 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.650 -4.647 -4.684 1.00 0.00 H new ATOM 171 N LYS A 12 3.867 -3.565 -6.593 1.00 0.00 N ATOM 172 CA LYS A 12 4.725 -4.364 -7.494 1.00 0.00 C ATOM 173 C LYS A 12 5.441 -3.590 -8.614 1.00 0.00 C ATOM 174 O LYS A 12 5.255 -2.394 -8.798 1.00 0.00 O ATOM 175 CB LYS A 12 3.949 -5.571 -8.053 1.00 0.00 C ATOM 176 CG LYS A 12 2.633 -5.268 -8.777 1.00 0.00 C ATOM 177 CD LYS A 12 2.823 -4.605 -10.135 1.00 0.00 C ATOM 178 CE LYS A 12 3.617 -5.482 -11.089 1.00 0.00 C ATOM 179 NZ LYS A 12 3.599 -4.939 -12.473 1.00 0.00 N ATOM 0 H LYS A 12 4.051 -3.759 -5.609 1.00 0.00 H new ATOM 0 HA LYS A 12 5.541 -4.707 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.602 -6.105 -8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.735 -6.250 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.079 -6.197 -8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.023 -4.620 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.848 -4.385 -10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.337 -3.653 -10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.647 -5.560 -10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.203 -6.490 -11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.054 -5.576 -13.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.157 -3.997 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.573 -4.864 -12.829 1.00 0.00 H new ATOM 193 N VAL A 13 6.315 -4.301 -9.326 1.00 0.00 N ATOM 194 CA VAL A 13 7.031 -3.745 -10.477 1.00 0.00 C ATOM 195 C VAL A 13 6.974 -4.717 -11.654 1.00 0.00 C ATOM 196 O VAL A 13 6.362 -4.433 -12.684 1.00 0.00 O ATOM 197 CB VAL A 13 8.515 -3.447 -10.154 1.00 0.00 C ATOM 198 CG1 VAL A 13 9.226 -2.853 -11.361 1.00 0.00 C ATOM 199 CG2 VAL A 13 8.638 -2.516 -8.961 1.00 0.00 C ATOM 0 H VAL A 13 6.547 -5.274 -9.124 1.00 0.00 H new ATOM 0 HA VAL A 13 6.538 -2.807 -10.732 1.00 0.00 H new ATOM 0 HB VAL A 13 8.994 -4.393 -9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.267 -2.653 -11.108 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.184 -3.558 -12.191 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.737 -1.922 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.691 -2.324 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.133 -1.575 -9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.178 -2.980 -8.089 1.00 0.00 H new ATOM 287 N GLY A 19 5.030 -8.368 -4.702 1.00 0.00 N ATOM 288 CA GLY A 19 3.646 -8.643 -5.043 1.00 0.00 C ATOM 289 C GLY A 19 2.685 -8.112 -3.999 1.00 0.00 C ATOM 290 O GLY A 19 1.511 -8.491 -3.967 1.00 0.00 O ATOM 0 HA2 GLY A 19 3.415 -8.194 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.506 -9.719 -5.150 1.00 0.00 H new ATOM 294 N SER A 20 3.184 -7.222 -3.154 1.00 0.00 N ATOM 295 CA SER A 20 2.397 -6.670 -2.063 1.00 0.00 C ATOM 296 C SER A 20 2.104 -5.192 -2.302 1.00 0.00 C ATOM 297 O SER A 20 2.885 -4.493 -2.949 1.00 0.00 O ATOM 298 CB SER A 20 3.151 -6.860 -0.745 1.00 0.00 C ATOM 299 OG SER A 20 4.507 -6.461 -0.876 1.00 0.00 O ATOM 0 H SER A 20 4.138 -6.865 -3.205 1.00 0.00 H new ATOM 0 HA SER A 20 1.444 -7.196 -2.011 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.670 -6.277 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.103 -7.906 -0.441 1.00 0.00 H new ATOM 0 HG SER A 20 4.970 -6.589 -0.022 1.00 0.00 H new ATOM 305 N LYS A 21 0.975 -4.723 -1.785 1.00 0.00 N ATOM 306 CA LYS A 21 0.581 -3.331 -1.954 1.00 0.00 C ATOM 307 C LYS A 21 1.083 -2.494 -0.784 1.00 0.00 C ATOM 308 O LYS A 21 1.156 -2.975 0.349 1.00 0.00 O ATOM 309 CB LYS A 21 -0.942 -3.203 -2.071 1.00 0.00 C ATOM 310 CG LYS A 21 -1.552 -4.061 -3.169 1.00 0.00 C ATOM 311 CD LYS A 21 -2.953 -3.590 -3.522 1.00 0.00 C ATOM 312 CE LYS A 21 -3.574 -4.440 -4.619 1.00 0.00 C ATOM 313 NZ LYS A 21 -4.108 -5.725 -4.095 1.00 0.00 N ATOM 0 H LYS A 21 0.317 -5.286 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 21 1.030 -2.962 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.394 -3.476 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.196 -2.159 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.919 -4.025 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.586 -5.101 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.583 -3.626 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.916 -2.550 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.378 -3.882 -5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.827 -4.644 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.398 -6.330 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.371 -6.208 -3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.929 -5.537 -3.485 1.00 0.00 H new ATOM 327 N CYS A 22 1.448 -1.253 -1.063 1.00 0.00 N ATOM 328 CA CYS A 22 1.903 -0.343 -0.025 1.00 0.00 C ATOM 329 C CYS A 22 1.366 1.057 -0.286 1.00 0.00 C ATOM 330 O CYS A 22 1.082 1.419 -1.429 1.00 0.00 O ATOM 331 CB CYS A 22 3.432 -0.320 0.036 1.00 0.00 C ATOM 332 SG CYS A 22 4.172 -1.947 0.318 1.00 0.00 S ATOM 0 H CYS A 22 1.438 -0.853 -2.001 1.00 0.00 H new ATOM 0 HA CYS A 22 1.525 -0.694 0.935 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.818 0.088 -0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.745 0.355 0.833 1.00 0.00 H new ATOM 0 HG CYS A 22 3.238 -2.804 0.607 1.00 0.00 H new ATOM 338 N VAL A 23 1.211 1.829 0.780 1.00 0.00 N ATOM 339 CA VAL A 23 0.686 3.182 0.678 1.00 0.00 C ATOM 340 C VAL A 23 1.679 4.187 1.255 1.00 0.00 C ATOM 341 O VAL A 23 2.076 4.077 2.415 1.00 0.00 O ATOM 342 CB VAL A 23 -0.664 3.320 1.420 1.00 0.00 C ATOM 343 CG1 VAL A 23 -1.205 4.737 1.303 1.00 0.00 C ATOM 344 CG2 VAL A 23 -1.678 2.318 0.884 1.00 0.00 C ATOM 0 H VAL A 23 1.443 1.539 1.730 1.00 0.00 H new ATOM 0 HA VAL A 23 0.528 3.390 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.492 3.106 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.155 4.809 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.492 5.436 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.356 4.983 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.620 2.432 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.841 2.498 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.300 1.306 1.027 1.00 0.00 H new ATOM 354 N ILE A 24 2.090 5.147 0.439 1.00 0.00 N ATOM 355 CA ILE A 24 3.012 6.185 0.886 1.00 0.00 C ATOM 356 C ILE A 24 2.289 7.151 1.817 1.00 0.00 C ATOM 357 O ILE A 24 1.265 7.729 1.447 1.00 0.00 O ATOM 358 CB ILE A 24 3.627 6.980 -0.299 1.00 0.00 C ATOM 359 CG1 ILE A 24 4.500 6.081 -1.188 1.00 0.00 C ATOM 360 CG2 ILE A 24 4.451 8.154 0.214 1.00 0.00 C ATOM 361 CD1 ILE A 24 3.722 5.158 -2.107 1.00 0.00 C ATOM 0 H ILE A 24 1.801 5.230 -0.536 1.00 0.00 H new ATOM 0 HA ILE A 24 3.827 5.687 1.411 1.00 0.00 H new ATOM 0 HB ILE A 24 2.801 7.357 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.150 6.712 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.146 5.478 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.874 8.699 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.813 8.821 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.257 7.784 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.418 4.561 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.092 4.498 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.097 5.751 -2.774 1.00 0.00 H new ATOM 373 N VAL A 25 2.806 7.306 3.029 1.00 0.00 N ATOM 374 CA VAL A 25 2.191 8.198 3.999 1.00 0.00 C ATOM 375 C VAL A 25 3.017 9.473 4.157 1.00 0.00 C ATOM 376 O VAL A 25 2.474 10.541 4.453 1.00 0.00 O ATOM 377 CB VAL A 25 2.002 7.501 5.371 1.00 0.00 C ATOM 378 CG1 VAL A 25 3.339 7.124 5.994 1.00 0.00 C ATOM 379 CG2 VAL A 25 1.199 8.377 6.314 1.00 0.00 C ATOM 0 H VAL A 25 3.644 6.829 3.361 1.00 0.00 H new ATOM 0 HA VAL A 25 1.204 8.466 3.622 1.00 0.00 H new ATOM 0 HB VAL A 25 1.446 6.580 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.169 6.638 6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.870 6.441 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.937 8.023 6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.079 7.868 7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.722 9.321 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.218 8.573 5.882 1.00 0.00 H new ATOM 389 N ASP A 26 4.328 9.367 3.937 1.00 0.00 N ATOM 390 CA ASP A 26 5.209 10.526 4.025 1.00 0.00 C ATOM 391 C ASP A 26 6.400 10.366 3.086 1.00 0.00 C ATOM 392 O ASP A 26 7.031 9.304 3.035 1.00 0.00 O ATOM 393 CB ASP A 26 5.701 10.732 5.463 1.00 0.00 C ATOM 394 CG ASP A 26 6.368 12.082 5.655 1.00 0.00 C ATOM 395 OD1 ASP A 26 7.533 12.248 5.248 1.00 0.00 O ATOM 396 OD2 ASP A 26 5.718 12.997 6.204 1.00 0.00 O ATOM 0 H ASP A 26 4.799 8.494 3.698 1.00 0.00 H new ATOM 0 HA ASP A 26 4.638 11.404 3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.859 10.644 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.405 9.941 5.721 1.00 0.00 H new ATOM 401 N ILE A 27 6.700 11.417 2.343 1.00 0.00 N ATOM 402 CA ILE A 27 7.802 11.398 1.398 1.00 0.00 C ATOM 403 C ILE A 27 9.051 11.993 2.037 1.00 0.00 C ATOM 404 O ILE A 27 9.120 13.198 2.285 1.00 0.00 O ATOM 405 CB ILE A 27 7.458 12.180 0.113 1.00 0.00 C ATOM 406 CG1 ILE A 27 6.185 11.620 -0.529 1.00 0.00 C ATOM 407 CG2 ILE A 27 8.620 12.136 -0.872 1.00 0.00 C ATOM 408 CD1 ILE A 27 5.704 12.416 -1.724 1.00 0.00 C ATOM 0 H ILE A 27 6.191 12.300 2.377 1.00 0.00 H new ATOM 0 HA ILE A 27 7.987 10.359 1.127 1.00 0.00 H new ATOM 0 HB ILE A 27 7.280 13.221 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.368 10.591 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.393 11.592 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.356 12.693 -1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.502 12.583 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.833 11.100 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.799 11.959 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.489 13.439 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.478 12.423 -2.492 1.00 0.00 H new ATOM 420 N ILE A 28 10.022 11.140 2.323 1.00 0.00 N ATOM 421 CA ILE A 28 11.262 11.576 2.949 1.00 0.00 C ATOM 422 C ILE A 28 12.344 11.782 1.895 1.00 0.00 C ATOM 423 O ILE A 28 12.711 12.915 1.587 1.00 0.00 O ATOM 424 CB ILE A 28 11.753 10.561 4.008 1.00 0.00 C ATOM 425 CG1 ILE A 28 10.620 10.221 4.982 1.00 0.00 C ATOM 426 CG2 ILE A 28 12.960 11.118 4.760 1.00 0.00 C ATOM 427 CD1 ILE A 28 10.986 9.163 5.998 1.00 0.00 C ATOM 0 H ILE A 28 9.976 10.139 2.131 1.00 0.00 H new ATOM 0 HA ILE A 28 11.060 12.521 3.452 1.00 0.00 H new ATOM 0 HB ILE A 28 12.058 9.646 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.321 11.128 5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.754 9.881 4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.293 10.392 5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.768 11.315 4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 28 12.681 12.045 5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.134 8.976 6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.257 8.242 5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.832 9.507 6.593 1.00 0.00 H new ATOM 439 N ASP A 29 12.836 10.688 1.334 1.00 0.00 N ATOM 440 CA ASP A 29 13.847 10.749 0.288 1.00 0.00 C ATOM 441 C ASP A 29 13.282 10.203 -1.005 1.00 0.00 C ATOM 442 O ASP A 29 12.196 9.632 -1.017 1.00 0.00 O ATOM 443 CB ASP A 29 15.077 9.915 0.658 1.00 0.00 C ATOM 444 CG ASP A 29 15.725 10.332 1.958 1.00 0.00 C ATOM 445 OD1 ASP A 29 16.582 11.240 1.929 1.00 0.00 O ATOM 446 OD2 ASP A 29 15.408 9.732 3.006 1.00 0.00 O ATOM 0 H ASP A 29 12.550 9.742 1.587 1.00 0.00 H new ATOM 0 HA ASP A 29 14.139 11.793 0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.787 8.867 0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.811 9.991 -0.144 1.00 0.00 H new ATOM 451 N ASP A 30 14.030 10.356 -2.085 1.00 0.00 N ATOM 452 CA ASP A 30 13.691 9.707 -3.347 1.00 0.00 C ATOM 453 C ASP A 30 14.142 8.255 -3.296 1.00 0.00 C ATOM 454 O ASP A 30 13.750 7.428 -4.118 1.00 0.00 O ATOM 455 CB ASP A 30 14.353 10.422 -4.529 1.00 0.00 C ATOM 456 CG ASP A 30 13.694 11.745 -4.866 1.00 0.00 C ATOM 457 OD1 ASP A 30 14.035 12.763 -4.227 1.00 0.00 O ATOM 458 OD2 ASP A 30 12.839 11.778 -5.775 1.00 0.00 O ATOM 0 H ASP A 30 14.877 10.924 -2.116 1.00 0.00 H new ATOM 0 HA ASP A 30 12.611 9.755 -3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.405 10.594 -4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.320 9.773 -5.404 1.00 0.00 H new ATOM 463 N ASN A 31 14.976 7.963 -2.310 1.00 0.00 N ATOM 464 CA ASN A 31 15.482 6.617 -2.105 1.00 0.00 C ATOM 465 C ASN A 31 14.626 5.865 -1.097 1.00 0.00 C ATOM 466 O ASN A 31 14.348 4.685 -1.277 1.00 0.00 O ATOM 467 CB ASN A 31 16.931 6.654 -1.621 1.00 0.00 C ATOM 468 CG ASN A 31 17.872 7.264 -2.638 1.00 0.00 C ATOM 469 OD1 ASN A 31 18.076 8.477 -2.660 1.00 0.00 O ATOM 470 ND2 ASN A 31 18.450 6.431 -3.488 1.00 0.00 N ATOM 0 H ASN A 31 15.318 8.647 -1.635 1.00 0.00 H new ATOM 0 HA ASN A 31 15.440 6.096 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 31 16.985 7.225 -0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 31 17.259 5.640 -1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 31 19.092 6.788 -4.195 1.00 0.00 H new ATOM 0 HD22 ASN A 31 18.254 5.431 -3.436 1.00 0.00 H new ATOM 477 N PHE A 32 14.213 6.547 -0.033 1.00 0.00 N ATOM 478 CA PHE A 32 13.442 5.918 1.025 1.00 0.00 C ATOM 479 C PHE A 32 12.320 6.834 1.506 1.00 0.00 C ATOM 480 O PHE A 32 12.572 7.951 1.952 1.00 0.00 O ATOM 481 CB PHE A 32 14.351 5.576 2.206 1.00 0.00 C ATOM 482 CG PHE A 32 15.404 4.550 1.899 1.00 0.00 C ATOM 483 CD1 PHE A 32 15.111 3.199 1.964 1.00 0.00 C ATOM 484 CD2 PHE A 32 16.689 4.938 1.546 1.00 0.00 C ATOM 485 CE1 PHE A 32 16.078 2.251 1.688 1.00 0.00 C ATOM 486 CE2 PHE A 32 17.660 3.995 1.267 1.00 0.00 C ATOM 487 CZ PHE A 32 17.352 2.650 1.338 1.00 0.00 C ATOM 0 H PHE A 32 14.402 7.538 0.116 1.00 0.00 H new ATOM 0 HA PHE A 32 13.003 5.006 0.621 1.00 0.00 H new ATOM 0 HB2 PHE A 32 14.839 6.488 2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 32 13.736 5.213 3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 32 14.115 2.882 2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 32 16.933 5.989 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 32 15.837 1.200 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.657 4.309 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 32 18.108 1.911 1.120 1.00 0.00 H new ATOM 497 N VAL A 33 11.088 6.357 1.425 1.00 0.00 N ATOM 498 CA VAL A 33 9.951 7.094 1.962 1.00 0.00 C ATOM 499 C VAL A 33 9.288 6.290 3.060 1.00 0.00 C ATOM 500 O VAL A 33 9.627 5.126 3.272 1.00 0.00 O ATOM 501 CB VAL A 33 8.893 7.432 0.891 1.00 0.00 C ATOM 502 CG1 VAL A 33 9.403 8.504 -0.052 1.00 0.00 C ATOM 503 CG2 VAL A 33 8.482 6.189 0.120 1.00 0.00 C ATOM 0 H VAL A 33 10.848 5.464 0.994 1.00 0.00 H new ATOM 0 HA VAL A 33 10.346 8.033 2.349 1.00 0.00 H new ATOM 0 HB VAL A 33 8.011 7.819 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.640 8.725 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.631 9.408 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.306 8.151 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.736 6.455 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.355 5.762 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.060 5.457 0.808 1.00 0.00 H new ATOM 513 N LEU A 34 8.348 6.904 3.756 1.00 0.00 N ATOM 514 CA LEU A 34 7.617 6.207 4.790 1.00 0.00 C ATOM 515 C LEU A 34 6.318 5.675 4.207 1.00 0.00 C ATOM 516 O LEU A 34 5.451 6.441 3.772 1.00 0.00 O ATOM 517 CB LEU A 34 7.341 7.138 5.976 1.00 0.00 C ATOM 518 CG LEU A 34 6.710 6.461 7.192 1.00 0.00 C ATOM 519 CD1 LEU A 34 7.620 5.369 7.733 1.00 0.00 C ATOM 520 CD2 LEU A 34 6.408 7.489 8.269 1.00 0.00 C ATOM 0 H LEU A 34 8.077 7.878 3.623 1.00 0.00 H new ATOM 0 HA LEU A 34 8.214 5.372 5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.279 7.601 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.683 7.941 5.643 1.00 0.00 H new ATOM 0 HG LEU A 34 5.773 5.998 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.151 4.900 8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.787 4.619 6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.575 5.804 8.029 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.959 6.993 9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.333 7.979 8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.715 8.234 7.877 1.00 0.00 H new ATOM 532 N VAL A 35 6.202 4.360 4.173 1.00 0.00 N ATOM 533 CA VAL A 35 5.008 3.715 3.661 1.00 0.00 C ATOM 534 C VAL A 35 4.306 2.973 4.786 1.00 0.00 C ATOM 535 O VAL A 35 4.944 2.506 5.729 1.00 0.00 O ATOM 536 CB VAL A 35 5.327 2.740 2.503 1.00 0.00 C ATOM 537 CG1 VAL A 35 5.891 3.490 1.307 1.00 0.00 C ATOM 538 CG2 VAL A 35 6.295 1.657 2.952 1.00 0.00 C ATOM 0 H VAL A 35 6.924 3.716 4.496 1.00 0.00 H new ATOM 0 HA VAL A 35 4.354 4.491 3.264 1.00 0.00 H new ATOM 0 HB VAL A 35 4.394 2.261 2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.108 2.785 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.162 4.222 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.808 4.002 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.502 0.986 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.225 2.116 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.853 1.091 3.772 1.00 0.00 H new ATOM 548 N THR A 36 2.996 2.885 4.702 1.00 0.00 N ATOM 549 CA THR A 36 2.228 2.217 5.726 1.00 0.00 C ATOM 550 C THR A 36 1.113 1.394 5.101 1.00 0.00 C ATOM 551 O THR A 36 0.577 1.746 4.049 1.00 0.00 O ATOM 552 CB THR A 36 1.648 3.228 6.749 1.00 0.00 C ATOM 553 OG1 THR A 36 1.005 2.543 7.833 1.00 0.00 O ATOM 554 CG2 THR A 36 0.655 4.176 6.089 1.00 0.00 C ATOM 0 H THR A 36 2.443 3.268 3.935 1.00 0.00 H new ATOM 0 HA THR A 36 2.900 1.548 6.264 1.00 0.00 H new ATOM 0 HB THR A 36 2.483 3.811 7.137 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.277 3.097 8.184 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.267 4.872 6.833 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.155 4.733 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.169 3.602 5.664 1.00 0.00 H new ATOM 562 N GLY A 37 0.801 0.284 5.736 1.00 0.00 N ATOM 563 CA GLY A 37 -0.296 -0.539 5.299 1.00 0.00 C ATOM 564 C GLY A 37 -1.238 -0.814 6.444 1.00 0.00 C ATOM 565 O GLY A 37 -0.795 -0.871 7.592 1.00 0.00 O ATOM 0 H GLY A 37 1.295 -0.066 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.832 -0.042 4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.084 -1.479 4.899 1.00 0.00 H new ATOM 569 N PRO A 38 -2.541 -0.954 6.175 1.00 0.00 N ATOM 570 CA PRO A 38 -3.527 -1.254 7.214 1.00 0.00 C ATOM 571 C PRO A 38 -3.165 -2.526 7.975 1.00 0.00 C ATOM 572 O PRO A 38 -3.229 -3.625 7.428 1.00 0.00 O ATOM 573 CB PRO A 38 -4.831 -1.444 6.433 1.00 0.00 C ATOM 574 CG PRO A 38 -4.624 -0.712 5.153 1.00 0.00 C ATOM 575 CD PRO A 38 -3.158 -0.824 4.845 1.00 0.00 C ATOM 0 HA PRO A 38 -3.589 -0.468 7.967 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.034 -2.500 6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.683 -1.044 6.983 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.225 -1.146 4.354 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.924 0.332 5.247 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.944 -1.688 4.216 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.790 0.055 4.315 1.00 0.00 H new ATOM 583 N LYS A 39 -2.782 -2.368 9.235 1.00 0.00 N ATOM 584 CA LYS A 39 -2.335 -3.490 10.049 1.00 0.00 C ATOM 585 C LYS A 39 -3.471 -4.468 10.310 1.00 0.00 C ATOM 586 O LYS A 39 -3.244 -5.666 10.499 1.00 0.00 O ATOM 587 CB LYS A 39 -1.759 -2.997 11.376 1.00 0.00 C ATOM 588 CG LYS A 39 -0.356 -2.426 11.257 1.00 0.00 C ATOM 589 CD LYS A 39 0.194 -1.994 12.609 1.00 0.00 C ATOM 590 CE LYS A 39 0.107 -3.111 13.641 1.00 0.00 C ATOM 591 NZ LYS A 39 0.813 -4.346 13.205 1.00 0.00 N ATOM 0 H LYS A 39 -2.772 -1.469 9.717 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.554 -4.010 9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.419 -2.233 11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.746 -3.824 12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.305 -3.173 10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.367 -1.572 10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.233 -1.684 12.496 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.360 -1.126 12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.534 -2.765 14.582 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.941 -3.344 13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.812 -5.039 13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.327 -4.750 12.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.794 -4.113 12.950 1.00 0.00 H new ATOM 605 N ASP A 40 -4.691 -3.954 10.315 1.00 0.00 N ATOM 606 CA ASP A 40 -5.866 -4.777 10.557 1.00 0.00 C ATOM 607 C ASP A 40 -6.330 -5.458 9.275 1.00 0.00 C ATOM 608 O ASP A 40 -6.948 -6.523 9.310 1.00 0.00 O ATOM 609 CB ASP A 40 -6.988 -3.917 11.139 1.00 0.00 C ATOM 610 CG ASP A 40 -8.302 -4.660 11.271 1.00 0.00 C ATOM 611 OD1 ASP A 40 -8.401 -5.559 12.131 1.00 0.00 O ATOM 612 OD2 ASP A 40 -9.253 -4.320 10.537 1.00 0.00 O ATOM 0 H ASP A 40 -4.894 -2.967 10.154 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.602 -5.555 11.273 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.685 -3.551 12.120 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.134 -3.043 10.504 1.00 0.00 H new ATOM 617 N ILE A 41 -6.008 -4.858 8.142 1.00 0.00 N ATOM 618 CA ILE A 41 -6.482 -5.361 6.862 1.00 0.00 C ATOM 619 C ILE A 41 -5.416 -6.202 6.160 1.00 0.00 C ATOM 620 O ILE A 41 -5.607 -7.399 5.950 1.00 0.00 O ATOM 621 CB ILE A 41 -6.935 -4.205 5.943 1.00 0.00 C ATOM 622 CG1 ILE A 41 -8.004 -3.368 6.655 1.00 0.00 C ATOM 623 CG2 ILE A 41 -7.470 -4.750 4.624 1.00 0.00 C ATOM 624 CD1 ILE A 41 -8.435 -2.136 5.887 1.00 0.00 C ATOM 0 H ILE A 41 -5.423 -4.025 8.081 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.340 -6.001 7.067 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.078 -3.569 5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.878 -3.993 6.838 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.622 -3.061 7.629 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.785 -3.922 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.687 -5.317 4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.322 -5.402 4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.193 -1.598 6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.574 -1.488 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.849 -2.434 4.924 1.00 0.00 H new ATOM 636 N THR A 42 -4.295 -5.582 5.809 1.00 0.00 N ATOM 637 CA THR A 42 -3.235 -6.277 5.092 1.00 0.00 C ATOM 638 C THR A 42 -2.204 -6.848 6.058 1.00 0.00 C ATOM 639 O THR A 42 -1.710 -7.961 5.866 1.00 0.00 O ATOM 640 CB THR A 42 -2.539 -5.341 4.081 1.00 0.00 C ATOM 641 OG1 THR A 42 -2.219 -4.091 4.706 1.00 0.00 O ATOM 642 CG2 THR A 42 -3.426 -5.094 2.871 1.00 0.00 C ATOM 0 H THR A 42 -4.098 -4.601 6.009 1.00 0.00 H new ATOM 0 HA THR A 42 -3.698 -7.099 4.546 1.00 0.00 H new ATOM 0 HB THR A 42 -1.621 -5.825 3.747 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.777 -3.505 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.913 -4.432 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.642 -6.042 2.379 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.359 -4.631 3.192 1.00 0.00 H new ATOM 650 N GLY A 43 -1.892 -6.089 7.102 1.00 0.00 N ATOM 651 CA GLY A 43 -0.925 -6.535 8.087 1.00 0.00 C ATOM 652 C GLY A 43 0.480 -6.602 7.525 1.00 0.00 C ATOM 653 O GLY A 43 1.074 -7.679 7.444 1.00 0.00 O ATOM 0 H GLY A 43 -2.293 -5.169 7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.940 -5.857 8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.213 -7.519 8.456 1.00 0.00 H new ATOM 657 N VAL A 44 1.008 -5.454 7.128 1.00 0.00 N ATOM 658 CA VAL A 44 2.343 -5.392 6.555 1.00 0.00 C ATOM 659 C VAL A 44 3.316 -4.739 7.538 1.00 0.00 C ATOM 660 O VAL A 44 2.933 -3.868 8.323 1.00 0.00 O ATOM 661 CB VAL A 44 2.344 -4.618 5.210 1.00 0.00 C ATOM 662 CG1 VAL A 44 2.049 -3.139 5.420 1.00 0.00 C ATOM 663 CG2 VAL A 44 3.664 -4.812 4.470 1.00 0.00 C ATOM 0 H VAL A 44 0.533 -4.554 7.192 1.00 0.00 H new ATOM 0 HA VAL A 44 2.668 -6.414 6.358 1.00 0.00 H new ATOM 0 HB VAL A 44 1.546 -5.029 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.057 -2.626 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.069 -3.026 5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.809 -2.705 6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.639 -4.260 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.484 -4.443 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.813 -5.872 4.264 1.00 0.00 H new ATOM 673 N LYS A 45 4.562 -5.188 7.506 1.00 0.00 N ATOM 674 CA LYS A 45 5.606 -4.639 8.361 1.00 0.00 C ATOM 675 C LYS A 45 6.002 -3.248 7.865 1.00 0.00 C ATOM 676 O LYS A 45 6.543 -3.102 6.766 1.00 0.00 O ATOM 677 CB LYS A 45 6.804 -5.593 8.364 1.00 0.00 C ATOM 678 CG LYS A 45 7.915 -5.225 9.336 1.00 0.00 C ATOM 679 CD LYS A 45 8.938 -6.350 9.440 1.00 0.00 C ATOM 680 CE LYS A 45 8.328 -7.588 10.085 1.00 0.00 C ATOM 681 NZ LYS A 45 9.216 -8.778 9.980 1.00 0.00 N ATOM 0 H LYS A 45 4.877 -5.938 6.891 1.00 0.00 H new ATOM 0 HA LYS A 45 5.241 -4.538 9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.450 -6.596 8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.220 -5.633 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.406 -4.310 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.491 -5.021 10.319 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.311 -6.600 8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.794 -6.015 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.122 -7.383 11.136 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.372 -7.808 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.758 -9.594 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.392 -8.992 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.119 -8.580 10.456 1.00 0.00 H new ATOM 695 N ARG A 46 5.722 -2.233 8.674 1.00 0.00 N ATOM 696 CA ARG A 46 5.897 -0.845 8.258 1.00 0.00 C ATOM 697 C ARG A 46 7.357 -0.405 8.357 1.00 0.00 C ATOM 698 O ARG A 46 7.893 -0.232 9.454 1.00 0.00 O ATOM 699 CB ARG A 46 5.001 0.077 9.093 1.00 0.00 C ATOM 700 CG ARG A 46 5.152 1.549 8.742 1.00 0.00 C ATOM 701 CD ARG A 46 3.988 2.380 9.257 1.00 0.00 C ATOM 702 NE ARG A 46 3.872 2.352 10.713 1.00 0.00 N ATOM 703 CZ ARG A 46 2.760 2.688 11.371 1.00 0.00 C ATOM 704 NH1 ARG A 46 1.663 3.021 10.701 1.00 0.00 N ATOM 705 NH2 ARG A 46 2.742 2.682 12.699 1.00 0.00 N ATOM 0 H ARG A 46 5.372 -2.345 9.625 1.00 0.00 H new ATOM 0 HA ARG A 46 5.603 -0.773 7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.961 -0.217 8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.233 -0.062 10.149 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.083 1.928 9.164 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.224 1.658 7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.110 3.412 8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.062 2.012 8.816 1.00 0.00 H new ATOM 0 HE ARG A 46 4.684 2.060 11.256 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.668 3.020 9.681 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.815 3.277 11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.579 2.420 13.219 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.891 2.939 13.199 1.00 0.00 H new ATOM 719 N ARG A 47 7.989 -0.236 7.200 1.00 0.00 N ATOM 720 CA ARG A 47 9.379 0.207 7.121 1.00 0.00 C ATOM 721 C ARG A 47 9.551 1.111 5.897 1.00 0.00 C ATOM 722 O ARG A 47 8.597 1.326 5.151 1.00 0.00 O ATOM 723 CB ARG A 47 10.322 -1.003 7.030 1.00 0.00 C ATOM 724 CG ARG A 47 10.175 -1.974 8.195 1.00 0.00 C ATOM 725 CD ARG A 47 11.023 -3.220 8.010 1.00 0.00 C ATOM 726 NE ARG A 47 12.448 -2.964 8.194 1.00 0.00 N ATOM 727 CZ ARG A 47 13.391 -3.894 8.051 1.00 0.00 C ATOM 728 NH1 ARG A 47 13.058 -5.140 7.733 1.00 0.00 N ATOM 729 NH2 ARG A 47 14.664 -3.577 8.240 1.00 0.00 N ATOM 0 H ARG A 47 7.554 -0.401 6.292 1.00 0.00 H new ATOM 0 HA ARG A 47 9.631 0.767 8.021 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.130 -1.534 6.098 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.352 -0.649 6.989 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.462 -1.475 9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.128 -2.260 8.298 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.701 -3.983 8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.856 -3.623 7.011 1.00 0.00 H new ATOM 0 HE ARG A 47 12.738 -2.019 8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.078 -5.387 7.598 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.783 -5.850 7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.920 -2.623 8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.388 -4.287 8.131 1.00 0.00 H new ATOM 743 N ARG A 48 10.752 1.638 5.693 1.00 0.00 N ATOM 744 CA ARG A 48 11.027 2.495 4.541 1.00 0.00 C ATOM 745 C ARG A 48 11.627 1.670 3.407 1.00 0.00 C ATOM 746 O ARG A 48 12.772 1.225 3.493 1.00 0.00 O ATOM 747 CB ARG A 48 11.968 3.631 4.952 1.00 0.00 C ATOM 748 CG ARG A 48 11.335 4.597 5.944 1.00 0.00 C ATOM 749 CD ARG A 48 12.368 5.479 6.627 1.00 0.00 C ATOM 750 NE ARG A 48 13.101 6.334 5.690 1.00 0.00 N ATOM 751 CZ ARG A 48 14.392 6.643 5.833 1.00 0.00 C ATOM 752 NH1 ARG A 48 15.078 6.153 6.858 1.00 0.00 N ATOM 753 NH2 ARG A 48 14.997 7.447 4.963 1.00 0.00 N ATOM 0 H ARG A 48 11.552 1.489 6.308 1.00 0.00 H new ATOM 0 HA ARG A 48 10.095 2.933 4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.871 3.207 5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.275 4.181 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.610 5.224 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.786 4.033 6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.870 6.105 7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.076 4.849 7.166 1.00 0.00 H new ATOM 0 HE ARG A 48 12.599 6.713 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.619 5.542 7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.064 6.387 6.970 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.474 7.834 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.984 7.677 5.082 1.00 0.00 H new ATOM 767 N VAL A 49 10.853 1.476 2.340 1.00 0.00 N ATOM 768 CA VAL A 49 11.214 0.510 1.300 1.00 0.00 C ATOM 769 C VAL A 49 11.198 1.147 -0.092 1.00 0.00 C ATOM 770 O VAL A 49 10.496 0.685 -0.994 1.00 0.00 O ATOM 771 CB VAL A 49 10.258 -0.707 1.301 1.00 0.00 C ATOM 772 CG1 VAL A 49 10.842 -1.867 0.504 1.00 0.00 C ATOM 773 CG2 VAL A 49 9.927 -1.148 2.721 1.00 0.00 C ATOM 0 H VAL A 49 9.977 1.971 2.172 1.00 0.00 H new ATOM 0 HA VAL A 49 12.226 0.175 1.530 1.00 0.00 H new ATOM 0 HB VAL A 49 9.332 -0.395 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.148 -2.707 0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.005 -1.554 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.791 -2.170 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.254 -2.005 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.845 -1.427 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.445 -0.328 3.254 1.00 0.00 H new ATOM 783 N ASN A 50 11.966 2.217 -0.245 1.00 0.00 N ATOM 784 CA ASN A 50 12.138 2.897 -1.527 1.00 0.00 C ATOM 785 C ASN A 50 10.839 3.522 -2.033 1.00 0.00 C ATOM 786 O ASN A 50 9.824 3.524 -1.341 1.00 0.00 O ATOM 787 CB ASN A 50 12.685 1.940 -2.588 1.00 0.00 C ATOM 788 CG ASN A 50 14.159 1.597 -2.425 1.00 0.00 C ATOM 789 OD1 ASN A 50 14.622 1.489 -1.192 1.00 0.00 O flip ATOM 790 ND2 ASN A 50 14.873 1.413 -3.411 1.00 0.00 N flip ATOM 0 H ASN A 50 12.491 2.642 0.519 1.00 0.00 H new ATOM 0 HA ASN A 50 12.856 3.699 -1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.105 1.018 -2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.534 2.383 -3.572 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.482 1.505 -4.348 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.856 1.169 -3.290 1.00 0.00 H new ATOM 797 N ILE A 51 10.900 4.087 -3.236 1.00 0.00 N ATOM 798 CA ILE A 51 9.718 4.617 -3.907 1.00 0.00 C ATOM 799 C ILE A 51 9.466 3.846 -5.192 1.00 0.00 C ATOM 800 O ILE A 51 8.364 3.369 -5.444 1.00 0.00 O ATOM 801 CB ILE A 51 9.861 6.111 -4.271 1.00 0.00 C ATOM 802 CG1 ILE A 51 10.251 6.938 -3.049 1.00 0.00 C ATOM 803 CG2 ILE A 51 8.560 6.634 -4.871 1.00 0.00 C ATOM 804 CD1 ILE A 51 10.425 8.409 -3.357 1.00 0.00 C ATOM 0 H ILE A 51 11.763 4.190 -3.769 1.00 0.00 H new ATOM 0 HA ILE A 51 8.889 4.508 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 51 10.655 6.206 -5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.487 6.822 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.181 6.547 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.674 7.688 -5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.322 6.069 -5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.753 6.519 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.702 8.941 -2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.209 8.534 -4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.489 8.813 -3.743 1.00 0.00 H new ATOM 816 N LEU A 52 10.515 3.704 -5.994 1.00 0.00 N ATOM 817 CA LEU A 52 10.415 3.048 -7.297 1.00 0.00 C ATOM 818 C LEU A 52 10.429 1.522 -7.140 1.00 0.00 C ATOM 819 O LEU A 52 10.946 0.792 -7.984 1.00 0.00 O ATOM 820 CB LEU A 52 11.571 3.513 -8.192 1.00 0.00 C ATOM 821 CG LEU A 52 11.460 3.129 -9.671 1.00 0.00 C ATOM 822 CD1 LEU A 52 10.206 3.731 -10.289 1.00 0.00 C ATOM 823 CD2 LEU A 52 12.700 3.575 -10.428 1.00 0.00 C ATOM 0 H LEU A 52 11.452 4.036 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 52 9.469 3.324 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.647 4.598 -8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.500 3.102 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 52 11.385 2.044 -9.742 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.146 3.447 -11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.327 3.361 -9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.246 4.817 -10.209 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.606 3.295 -11.477 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.805 4.657 -10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.580 3.093 -10.001 1.00 0.00 H new ATOM 835 N HIS A 53 9.833 1.050 -6.057 1.00 0.00 N ATOM 836 CA HIS A 53 9.763 -0.376 -5.782 1.00 0.00 C ATOM 837 C HIS A 53 8.337 -0.870 -6.018 1.00 0.00 C ATOM 838 O HIS A 53 8.010 -2.027 -5.752 1.00 0.00 O ATOM 839 CB HIS A 53 10.205 -0.655 -4.339 1.00 0.00 C ATOM 840 CG HIS A 53 10.452 -2.106 -4.042 1.00 0.00 C ATOM 841 ND1 HIS A 53 9.596 -2.882 -3.287 1.00 0.00 N ATOM 842 CD2 HIS A 53 11.476 -2.921 -4.400 1.00 0.00 C ATOM 843 CE1 HIS A 53 10.086 -4.106 -3.187 1.00 0.00 C ATOM 844 NE2 HIS A 53 11.222 -4.154 -3.856 1.00 0.00 N ATOM 0 H HIS A 53 9.389 1.637 -5.351 1.00 0.00 H new ATOM 0 HA HIS A 53 10.435 -0.911 -6.453 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.117 -0.093 -4.135 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.441 -0.281 -3.658 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.331 -2.649 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.634 -4.926 -2.650 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.817 -4.977 -3.953 1.00 0.00 H new ATOM 853 N LEU A 54 7.495 0.027 -6.515 1.00 0.00 N ATOM 854 CA LEU A 54 6.099 -0.290 -6.802 1.00 0.00 C ATOM 855 C LEU A 54 5.545 0.630 -7.891 1.00 0.00 C ATOM 856 O LEU A 54 6.165 1.642 -8.228 1.00 0.00 O ATOM 857 CB LEU A 54 5.257 -0.198 -5.521 1.00 0.00 C ATOM 858 CG LEU A 54 5.712 0.846 -4.491 1.00 0.00 C ATOM 859 CD1 LEU A 54 5.532 2.264 -5.010 1.00 0.00 C ATOM 860 CD2 LEU A 54 4.960 0.657 -3.186 1.00 0.00 C ATOM 0 H LEU A 54 7.757 0.989 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 54 6.046 -1.313 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.227 0.022 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.254 -1.176 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 54 6.777 0.696 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.865 2.974 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.122 2.397 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.480 2.439 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.291 1.403 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.891 0.773 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.157 -0.341 -2.794 1.00 0.00 H new ATOM 872 N GLU A 55 4.387 0.271 -8.442 1.00 0.00 N ATOM 873 CA GLU A 55 3.733 1.076 -9.466 1.00 0.00 C ATOM 874 C GLU A 55 2.475 1.732 -8.911 1.00 0.00 C ATOM 875 O GLU A 55 1.700 1.094 -8.196 1.00 0.00 O ATOM 876 CB GLU A 55 3.346 0.217 -10.672 1.00 0.00 C ATOM 877 CG GLU A 55 4.520 -0.396 -11.409 1.00 0.00 C ATOM 878 CD GLU A 55 4.081 -1.136 -12.655 1.00 0.00 C ATOM 879 OE1 GLU A 55 3.695 -2.318 -12.551 1.00 0.00 O ATOM 880 OE2 GLU A 55 4.100 -0.531 -13.750 1.00 0.00 O ATOM 0 H GLU A 55 3.881 -0.579 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 55 4.441 1.843 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.686 -0.583 -10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.775 0.829 -11.370 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.226 0.388 -11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.047 -1.082 -10.746 1.00 0.00 H new ATOM 887 N PRO A 56 2.261 3.018 -9.231 1.00 0.00 N ATOM 888 CA PRO A 56 1.074 3.753 -8.796 1.00 0.00 C ATOM 889 C PRO A 56 -0.179 3.347 -9.571 1.00 0.00 C ATOM 890 O PRO A 56 -0.141 3.172 -10.792 1.00 0.00 O ATOM 891 CB PRO A 56 1.438 5.213 -9.083 1.00 0.00 C ATOM 892 CG PRO A 56 2.408 5.146 -10.211 1.00 0.00 C ATOM 893 CD PRO A 56 3.173 3.860 -10.030 1.00 0.00 C ATOM 0 HA PRO A 56 0.832 3.558 -7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.557 5.795 -9.353 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.880 5.690 -8.208 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.891 5.160 -11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.080 6.004 -10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.409 3.397 -10.988 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.119 4.026 -9.514 1.00 0.00 H new ATOM 901 N THR A 57 -1.283 3.197 -8.854 1.00 0.00 N ATOM 902 CA THR A 57 -2.555 2.846 -9.465 1.00 0.00 C ATOM 903 C THR A 57 -3.243 4.088 -10.030 1.00 0.00 C ATOM 904 O THR A 57 -2.796 5.216 -9.792 1.00 0.00 O ATOM 905 CB THR A 57 -3.477 2.160 -8.444 1.00 0.00 C ATOM 906 OG1 THR A 57 -3.564 2.956 -7.255 1.00 0.00 O ATOM 907 CG2 THR A 57 -2.959 0.775 -8.093 1.00 0.00 C ATOM 0 H THR A 57 -1.322 3.314 -7.841 1.00 0.00 H new ATOM 0 HA THR A 57 -2.355 2.152 -10.281 1.00 0.00 H new ATOM 0 HB THR A 57 -4.467 2.059 -8.890 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.813 2.742 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.628 0.309 -7.369 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.917 0.163 -8.994 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.961 0.858 -7.664 1.00 0.00 H new ATOM 915 N ASP A 58 -4.326 3.890 -10.780 1.00 0.00 N ATOM 916 CA ASP A 58 -5.034 5.008 -11.390 1.00 0.00 C ATOM 917 C ASP A 58 -6.051 5.605 -10.418 1.00 0.00 C ATOM 918 O ASP A 58 -6.100 6.820 -10.238 1.00 0.00 O ATOM 919 CB ASP A 58 -5.720 4.578 -12.698 1.00 0.00 C ATOM 920 CG ASP A 58 -6.893 3.641 -12.485 1.00 0.00 C ATOM 921 OD1 ASP A 58 -6.659 2.461 -12.152 1.00 0.00 O ATOM 922 OD2 ASP A 58 -8.048 4.080 -12.661 1.00 0.00 O ATOM 0 H ASP A 58 -4.728 2.973 -10.977 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.300 5.778 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.066 5.466 -13.227 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.987 4.090 -13.340 1.00 0.00 H new ATOM 927 N LYS A 59 -6.842 4.754 -9.781 1.00 0.00 N ATOM 928 CA LYS A 59 -7.820 5.220 -8.810 1.00 0.00 C ATOM 929 C LYS A 59 -7.195 5.308 -7.429 1.00 0.00 C ATOM 930 O LYS A 59 -6.351 4.493 -7.061 1.00 0.00 O ATOM 931 CB LYS A 59 -9.059 4.323 -8.797 1.00 0.00 C ATOM 932 CG LYS A 59 -9.963 4.552 -9.997 1.00 0.00 C ATOM 933 CD LYS A 59 -11.245 3.739 -9.921 1.00 0.00 C ATOM 934 CE LYS A 59 -10.987 2.246 -10.060 1.00 0.00 C ATOM 935 NZ LYS A 59 -12.258 1.484 -10.191 1.00 0.00 N ATOM 0 H LYS A 59 -6.826 3.743 -9.918 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.142 6.219 -9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.746 3.279 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.624 4.504 -7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.211 5.611 -10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.425 4.292 -10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.741 3.933 -8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.926 4.063 -10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.360 2.064 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.435 1.888 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.047 0.470 -10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.845 1.640 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.772 1.809 -11.034 1.00 0.00 H new ATOM 949 N LYS A 60 -7.617 6.303 -6.670 1.00 0.00 N ATOM 950 CA LYS A 60 -6.980 6.636 -5.414 1.00 0.00 C ATOM 951 C LYS A 60 -7.996 6.797 -4.292 1.00 0.00 C ATOM 952 O LYS A 60 -9.183 7.028 -4.541 1.00 0.00 O ATOM 953 CB LYS A 60 -6.205 7.946 -5.577 1.00 0.00 C ATOM 954 CG LYS A 60 -7.039 9.055 -6.210 1.00 0.00 C ATOM 955 CD LYS A 60 -6.326 10.399 -6.191 1.00 0.00 C ATOM 956 CE LYS A 60 -6.216 10.955 -4.780 1.00 0.00 C ATOM 957 NZ LYS A 60 -5.614 12.314 -4.764 1.00 0.00 N ATOM 0 H LYS A 60 -8.409 6.900 -6.908 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.309 5.819 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.851 8.277 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.323 7.766 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.275 8.786 -7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.987 9.142 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.329 10.289 -6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.866 11.107 -6.820 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.206 10.992 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.611 10.283 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.857 12.791 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.580 12.237 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.983 12.867 -5.564 1.00 0.00 H new ATOM 971 N ILE A 61 -7.520 6.660 -3.065 1.00 0.00 N ATOM 972 CA ILE A 61 -8.289 7.038 -1.893 1.00 0.00 C ATOM 973 C ILE A 61 -7.618 8.234 -1.231 1.00 0.00 C ATOM 974 O ILE A 61 -6.552 8.118 -0.627 1.00 0.00 O ATOM 975 CB ILE A 61 -8.450 5.880 -0.879 1.00 0.00 C ATOM 976 CG1 ILE A 61 -7.105 5.195 -0.606 1.00 0.00 C ATOM 977 CG2 ILE A 61 -9.473 4.872 -1.384 1.00 0.00 C ATOM 978 CD1 ILE A 61 -7.170 4.128 0.465 1.00 0.00 C ATOM 0 H ILE A 61 -6.595 6.286 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.295 7.297 -2.221 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.809 6.299 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.742 4.747 -1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.377 5.950 -0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.575 4.064 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -10.436 5.366 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.141 4.464 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.182 3.689 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.502 4.573 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.873 3.352 0.163 1.00 0.00 H new ATOM 990 N ASP A 62 -8.221 9.395 -1.384 1.00 0.00 N ATOM 991 CA ASP A 62 -7.593 10.632 -0.945 1.00 0.00 C ATOM 992 C ASP A 62 -7.761 10.826 0.552 1.00 0.00 C ATOM 993 O ASP A 62 -8.858 11.095 1.040 1.00 0.00 O ATOM 994 CB ASP A 62 -8.167 11.827 -1.703 1.00 0.00 C ATOM 995 CG ASP A 62 -7.343 13.083 -1.509 1.00 0.00 C ATOM 996 OD1 ASP A 62 -6.326 13.243 -2.217 1.00 0.00 O ATOM 997 OD2 ASP A 62 -7.711 13.923 -0.661 1.00 0.00 O ATOM 0 H ASP A 62 -9.142 9.512 -1.807 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.527 10.562 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.218 11.590 -2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.188 12.010 -1.368 1.00 0.00 H new ATOM 1002 N ILE A 63 -6.664 10.655 1.275 1.00 0.00 N ATOM 1003 CA ILE A 63 -6.645 10.853 2.714 1.00 0.00 C ATOM 1004 C ILE A 63 -5.762 12.047 3.061 1.00 0.00 C ATOM 1005 O ILE A 63 -5.290 12.754 2.169 1.00 0.00 O ATOM 1006 CB ILE A 63 -6.124 9.599 3.450 1.00 0.00 C ATOM 1007 CG1 ILE A 63 -4.703 9.253 2.985 1.00 0.00 C ATOM 1008 CG2 ILE A 63 -7.062 8.419 3.223 1.00 0.00 C ATOM 1009 CD1 ILE A 63 -4.100 8.065 3.704 1.00 0.00 C ATOM 0 H ILE A 63 -5.766 10.376 0.881 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.669 11.040 3.039 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.093 9.815 4.518 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.720 9.048 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.060 10.121 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.680 7.544 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.054 8.665 3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.124 8.203 2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.096 7.880 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.050 8.274 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.720 7.184 3.535 1.00 0.00 H new ATOM 1021 N GLN A 64 -5.540 12.276 4.347 1.00 0.00 N ATOM 1022 CA GLN A 64 -4.675 13.363 4.776 1.00 0.00 C ATOM 1023 C GLN A 64 -3.251 12.863 4.988 1.00 0.00 C ATOM 1024 O GLN A 64 -3.016 11.661 5.119 1.00 0.00 O ATOM 1025 CB GLN A 64 -5.215 14.016 6.047 1.00 0.00 C ATOM 1026 CG GLN A 64 -6.511 14.780 5.820 1.00 0.00 C ATOM 1027 CD GLN A 64 -6.965 15.550 7.042 1.00 0.00 C ATOM 1028 OE1 GLN A 64 -6.731 15.140 8.178 1.00 0.00 O ATOM 1029 NE2 GLN A 64 -7.607 16.683 6.818 1.00 0.00 N ATOM 0 H GLN A 64 -5.944 11.728 5.106 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.659 14.117 3.989 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.381 13.247 6.801 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.463 14.697 6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.377 15.473 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.293 14.079 5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.782 16.989 5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.928 17.251 7.602 1.00 0.00 H new ATOM 1038 N LYS A 65 -2.305 13.790 5.015 1.00 0.00 N ATOM 1039 CA LYS A 65 -0.895 13.445 5.132 1.00 0.00 C ATOM 1040 C LYS A 65 -0.545 13.135 6.585 1.00 0.00 C ATOM 1041 O LYS A 65 -0.789 13.949 7.476 1.00 0.00 O ATOM 1042 CB LYS A 65 -0.032 14.591 4.595 1.00 0.00 C ATOM 1043 CG LYS A 65 1.449 14.267 4.504 1.00 0.00 C ATOM 1044 CD LYS A 65 2.212 15.391 3.823 1.00 0.00 C ATOM 1045 CE LYS A 65 3.685 15.054 3.652 1.00 0.00 C ATOM 1046 NZ LYS A 65 4.431 15.091 4.938 1.00 0.00 N ATOM 0 H LYS A 65 -2.489 14.792 4.957 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.695 12.553 4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.393 14.869 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.163 15.461 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.851 14.103 5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.588 13.339 3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.770 15.591 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.114 16.304 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.778 14.062 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.137 15.758 2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.222 15.762 4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.793 15.394 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.801 14.143 5.152 1.00 0.00 H new ATOM 1060 N GLY A 66 0.028 11.963 6.818 1.00 0.00 N ATOM 1061 CA GLY A 66 0.288 11.521 8.175 1.00 0.00 C ATOM 1062 C GLY A 66 -0.897 10.767 8.741 1.00 0.00 C ATOM 1063 O GLY A 66 -1.373 11.060 9.837 1.00 0.00 O ATOM 0 H GLY A 66 0.318 11.309 6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.170 10.881 8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.509 12.383 8.805 1.00 0.00 H new ATOM 1067 N ALA A 67 -1.373 9.795 7.975 1.00 0.00 N ATOM 1068 CA ALA A 67 -2.550 9.029 8.348 1.00 0.00 C ATOM 1069 C ALA A 67 -2.166 7.667 8.915 1.00 0.00 C ATOM 1070 O ALA A 67 -0.986 7.335 9.021 1.00 0.00 O ATOM 1071 CB ALA A 67 -3.467 8.864 7.148 1.00 0.00 C ATOM 0 H ALA A 67 -0.957 9.518 7.086 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.079 9.577 9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.346 8.289 7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.778 9.845 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.936 8.339 6.354 1.00 0.00 H new ATOM 1077 N SER A 68 -3.171 6.873 9.261 1.00 0.00 N ATOM 1078 CA SER A 68 -2.950 5.576 9.879 1.00 0.00 C ATOM 1079 C SER A 68 -4.036 4.585 9.458 1.00 0.00 C ATOM 1080 O SER A 68 -4.823 4.871 8.551 1.00 0.00 O ATOM 1081 CB SER A 68 -2.930 5.741 11.401 1.00 0.00 C ATOM 1082 OG SER A 68 -4.048 6.494 11.840 1.00 0.00 O ATOM 0 H SER A 68 -4.154 7.109 9.122 1.00 0.00 H new ATOM 0 HA SER A 68 -1.991 5.178 9.547 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.936 4.761 11.878 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.009 6.238 11.705 1.00 0.00 H new ATOM 0 HG SER A 68 -4.134 6.415 12.813 1.00 0.00 H new ATOM 1088 N ASP A 69 -4.076 3.430 10.129 1.00 0.00 N ATOM 1089 CA ASP A 69 -5.047 2.371 9.827 1.00 0.00 C ATOM 1090 C ASP A 69 -6.466 2.912 9.937 1.00 0.00 C ATOM 1091 O ASP A 69 -7.313 2.639 9.090 1.00 0.00 O ATOM 1092 CB ASP A 69 -4.857 1.185 10.792 1.00 0.00 C ATOM 1093 CG ASP A 69 -5.716 -0.026 10.449 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -6.885 -0.085 10.884 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -5.209 -0.939 9.760 1.00 0.00 O ATOM 0 H ASP A 69 -3.440 3.202 10.893 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.881 2.025 8.807 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.808 0.889 10.788 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.092 1.511 11.805 1.00 0.00 H new ATOM 1100 N GLU A 70 -6.698 3.703 10.979 1.00 0.00 N ATOM 1101 CA GLU A 70 -7.989 4.311 11.236 1.00 0.00 C ATOM 1102 C GLU A 70 -8.466 5.140 10.043 1.00 0.00 C ATOM 1103 O GLU A 70 -9.574 4.945 9.544 1.00 0.00 O ATOM 1104 CB GLU A 70 -7.894 5.214 12.470 1.00 0.00 C ATOM 1105 CG GLU A 70 -7.216 4.577 13.677 1.00 0.00 C ATOM 1106 CD GLU A 70 -5.705 4.703 13.639 1.00 0.00 C ATOM 1107 OE1 GLU A 70 -5.039 3.812 13.084 1.00 0.00 O ATOM 1108 OE2 GLU A 70 -5.168 5.709 14.152 1.00 0.00 O ATOM 0 H GLU A 70 -5.987 3.939 11.671 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.709 3.510 11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.349 6.118 12.200 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.900 5.522 12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.592 5.044 14.587 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.487 3.522 13.725 1.00 0.00 H new ATOM 1115 N GLU A 71 -7.610 6.049 9.585 1.00 0.00 N ATOM 1116 CA GLU A 71 -7.941 6.938 8.469 1.00 0.00 C ATOM 1117 C GLU A 71 -8.145 6.146 7.184 1.00 0.00 C ATOM 1118 O GLU A 71 -9.118 6.362 6.455 1.00 0.00 O ATOM 1119 CB GLU A 71 -6.836 7.986 8.281 1.00 0.00 C ATOM 1120 CG GLU A 71 -6.981 8.831 7.019 1.00 0.00 C ATOM 1121 CD GLU A 71 -8.137 9.812 7.071 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -9.257 9.413 7.456 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -7.939 10.984 6.687 1.00 0.00 O ATOM 0 H GLU A 71 -6.676 6.192 9.970 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.875 7.449 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.827 8.647 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.871 7.479 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.055 9.382 6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.116 8.170 6.163 1.00 0.00 H new ATOM 1130 N VAL A 72 -7.234 5.219 6.914 1.00 0.00 N ATOM 1131 CA VAL A 72 -7.331 4.392 5.723 1.00 0.00 C ATOM 1132 C VAL A 72 -8.619 3.581 5.747 1.00 0.00 C ATOM 1133 O VAL A 72 -9.302 3.464 4.735 1.00 0.00 O ATOM 1134 CB VAL A 72 -6.117 3.442 5.578 1.00 0.00 C ATOM 1135 CG1 VAL A 72 -6.281 2.526 4.372 1.00 0.00 C ATOM 1136 CG2 VAL A 72 -4.826 4.237 5.461 1.00 0.00 C ATOM 0 H VAL A 72 -6.424 5.023 7.502 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.336 5.061 4.863 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.068 2.823 6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.415 1.869 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.182 1.925 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.364 3.128 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.985 3.552 5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.875 4.883 4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.692 4.847 6.354 1.00 0.00 H new ATOM 1146 N LYS A 73 -8.963 3.057 6.918 1.00 0.00 N ATOM 1147 CA LYS A 73 -10.150 2.228 7.064 1.00 0.00 C ATOM 1148 C LYS A 73 -11.414 3.047 6.839 1.00 0.00 C ATOM 1149 O LYS A 73 -12.368 2.567 6.227 1.00 0.00 O ATOM 1150 CB LYS A 73 -10.175 1.580 8.448 1.00 0.00 C ATOM 1151 CG LYS A 73 -11.088 0.369 8.539 1.00 0.00 C ATOM 1152 CD LYS A 73 -10.383 -0.798 9.217 1.00 0.00 C ATOM 1153 CE LYS A 73 -10.090 -0.511 10.683 1.00 0.00 C ATOM 1154 NZ LYS A 73 -9.103 -1.467 11.249 1.00 0.00 N ATOM 0 H LYS A 73 -8.435 3.193 7.780 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.115 1.443 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.162 1.281 8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.495 2.321 9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.987 0.629 9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.407 0.074 7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.003 -1.691 9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.450 -1.011 8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.710 0.506 10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.016 -0.564 11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.223 -1.520 12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.254 -2.409 10.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.140 -1.142 11.029 1.00 0.00 H new ATOM 1168 N LYS A 74 -11.419 4.284 7.329 1.00 0.00 N ATOM 1169 CA LYS A 74 -12.554 5.180 7.125 1.00 0.00 C ATOM 1170 C LYS A 74 -12.817 5.380 5.637 1.00 0.00 C ATOM 1171 O LYS A 74 -13.928 5.155 5.155 1.00 0.00 O ATOM 1172 CB LYS A 74 -12.308 6.546 7.777 1.00 0.00 C ATOM 1173 CG LYS A 74 -12.206 6.520 9.294 1.00 0.00 C ATOM 1174 CD LYS A 74 -13.476 5.988 9.937 1.00 0.00 C ATOM 1175 CE LYS A 74 -13.484 6.236 11.439 1.00 0.00 C ATOM 1176 NZ LYS A 74 -13.600 7.685 11.763 1.00 0.00 N ATOM 0 H LYS A 74 -10.653 4.688 7.868 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.423 4.716 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.387 6.965 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.117 7.219 7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.361 5.899 9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.007 7.526 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.344 6.467 9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.564 4.919 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.315 5.695 11.892 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.569 5.838 11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.889 7.797 12.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.681 8.148 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.312 8.123 11.144 1.00 0.00 H new ATOM 1190 N LYS A 75 -11.783 5.800 4.915 1.00 0.00 N ATOM 1191 CA LYS A 75 -11.896 6.035 3.478 1.00 0.00 C ATOM 1192 C LYS A 75 -12.168 4.737 2.731 1.00 0.00 C ATOM 1193 O LYS A 75 -12.971 4.705 1.795 1.00 0.00 O ATOM 1194 CB LYS A 75 -10.623 6.693 2.933 1.00 0.00 C ATOM 1195 CG LYS A 75 -10.616 8.214 3.026 1.00 0.00 C ATOM 1196 CD LYS A 75 -10.760 8.708 4.458 1.00 0.00 C ATOM 1197 CE LYS A 75 -10.704 10.221 4.523 1.00 0.00 C ATOM 1198 NZ LYS A 75 -10.935 10.728 5.901 1.00 0.00 N ATOM 0 H LYS A 75 -10.857 5.985 5.301 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.737 6.710 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.764 6.303 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.496 6.404 1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.687 8.597 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.430 8.616 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.705 8.358 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.966 8.285 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.732 10.563 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.453 10.641 3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.462 11.647 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.956 10.841 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.549 10.051 6.589 1.00 0.00 H new ATOM 1212 N LEU A 76 -11.517 3.668 3.154 1.00 0.00 N ATOM 1213 CA LEU A 76 -11.655 2.380 2.494 1.00 0.00 C ATOM 1214 C LEU A 76 -13.079 1.849 2.644 1.00 0.00 C ATOM 1215 O LEU A 76 -13.615 1.231 1.727 1.00 0.00 O ATOM 1216 CB LEU A 76 -10.656 1.379 3.072 1.00 0.00 C ATOM 1217 CG LEU A 76 -10.180 0.295 2.104 1.00 0.00 C ATOM 1218 CD1 LEU A 76 -9.489 0.924 0.903 1.00 0.00 C ATOM 1219 CD2 LEU A 76 -9.241 -0.670 2.811 1.00 0.00 C ATOM 0 H LEU A 76 -10.885 3.666 3.955 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.446 2.513 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.786 1.927 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -11.110 0.896 3.937 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.048 -0.262 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.156 0.140 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.187 1.581 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.628 1.502 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.911 -1.436 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.375 -0.125 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.763 -1.142 3.643 1.00 0.00 H new ATOM 1231 N GLU A 77 -13.682 2.100 3.803 1.00 0.00 N ATOM 1232 CA GLU A 77 -15.064 1.702 4.050 1.00 0.00 C ATOM 1233 C GLU A 77 -16.010 2.560 3.215 1.00 0.00 C ATOM 1234 O GLU A 77 -16.950 2.056 2.600 1.00 0.00 O ATOM 1235 CB GLU A 77 -15.416 1.854 5.534 1.00 0.00 C ATOM 1236 CG GLU A 77 -16.711 1.152 5.919 1.00 0.00 C ATOM 1237 CD GLU A 77 -17.130 1.430 7.345 1.00 0.00 C ATOM 1238 OE1 GLU A 77 -16.504 0.881 8.274 1.00 0.00 O ATOM 1239 OE2 GLU A 77 -18.097 2.194 7.547 1.00 0.00 O ATOM 0 H GLU A 77 -13.235 2.577 4.586 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.173 0.655 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.601 1.454 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.500 2.914 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.505 1.470 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.590 0.077 5.784 1.00 0.00 H new ATOM 1246 N GLU A 78 -15.741 3.858 3.199 1.00 0.00 N ATOM 1247 CA GLU A 78 -16.552 4.811 2.452 1.00 0.00 C ATOM 1248 C GLU A 78 -16.552 4.470 0.964 1.00 0.00 C ATOM 1249 O GLU A 78 -17.589 4.508 0.302 1.00 0.00 O ATOM 1250 CB GLU A 78 -16.008 6.223 2.668 1.00 0.00 C ATOM 1251 CG GLU A 78 -16.885 7.325 2.095 1.00 0.00 C ATOM 1252 CD GLU A 78 -16.367 8.703 2.440 1.00 0.00 C ATOM 1253 OE1 GLU A 78 -15.524 9.239 1.688 1.00 0.00 O ATOM 1254 OE2 GLU A 78 -16.783 9.253 3.481 1.00 0.00 O ATOM 0 H GLU A 78 -14.959 4.279 3.700 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.579 4.759 2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.884 6.392 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.018 6.291 2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.938 7.219 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.900 7.214 2.476 1.00 0.00 H new ATOM 1261 N SER A 79 -15.380 4.123 0.456 1.00 0.00 N ATOM 1262 CA SER A 79 -15.223 3.797 -0.956 1.00 0.00 C ATOM 1263 C SER A 79 -15.531 2.322 -1.223 1.00 0.00 C ATOM 1264 O SER A 79 -15.627 1.906 -2.381 1.00 0.00 O ATOM 1265 CB SER A 79 -13.798 4.135 -1.411 1.00 0.00 C ATOM 1266 OG SER A 79 -13.663 4.009 -2.817 1.00 0.00 O ATOM 0 H SER A 79 -14.520 4.059 1.001 1.00 0.00 H new ATOM 0 HA SER A 79 -15.935 4.393 -1.527 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.549 5.152 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.089 3.473 -0.915 1.00 0.00 H new ATOM 0 HG SER A 79 -14.236 3.281 -3.137 1.00 0.00 H new ATOM 1272 N ASN A 80 -15.687 1.542 -0.150 1.00 0.00 N ATOM 1273 CA ASN A 80 -15.964 0.102 -0.245 1.00 0.00 C ATOM 1274 C ASN A 80 -14.846 -0.600 -1.024 1.00 0.00 C ATOM 1275 O ASN A 80 -15.075 -1.556 -1.765 1.00 0.00 O ATOM 1276 CB ASN A 80 -17.325 -0.139 -0.914 1.00 0.00 C ATOM 1277 CG ASN A 80 -17.879 -1.532 -0.652 1.00 0.00 C ATOM 1278 OD1 ASN A 80 -17.615 -2.477 -1.395 1.00 0.00 O ATOM 1279 ND2 ASN A 80 -18.669 -1.667 0.401 1.00 0.00 N ATOM 0 H ASN A 80 -15.625 1.888 0.808 1.00 0.00 H new ATOM 0 HA ASN A 80 -16.000 -0.316 0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -18.037 0.603 -0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.226 0.010 -1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -19.080 -2.575 0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -18.867 -0.863 0.996 1.00 0.00 H new ATOM 1286 N LEU A 81 -13.623 -0.135 -0.814 1.00 0.00 N ATOM 1287 CA LEU A 81 -12.472 -0.620 -1.565 1.00 0.00 C ATOM 1288 C LEU A 81 -11.633 -1.567 -0.704 1.00 0.00 C ATOM 1289 O LEU A 81 -10.497 -1.897 -1.043 1.00 0.00 O ATOM 1290 CB LEU A 81 -11.627 0.575 -2.029 1.00 0.00 C ATOM 1291 CG LEU A 81 -10.545 0.266 -3.070 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -11.173 -0.171 -4.384 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -9.653 1.481 -3.283 1.00 0.00 C ATOM 0 H LEU A 81 -13.400 0.583 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.819 -1.174 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.296 1.330 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.148 1.017 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.932 -0.554 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.388 -0.385 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.771 -1.068 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.811 0.626 -4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.890 1.246 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.256 2.318 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.174 1.750 -2.342 1.00 0.00 H new ATOM 1305 N THR A 82 -12.217 -2.016 0.404 1.00 0.00 N ATOM 1306 CA THR A 82 -11.530 -2.870 1.368 1.00 0.00 C ATOM 1307 C THR A 82 -10.995 -4.153 0.719 1.00 0.00 C ATOM 1308 O THR A 82 -9.902 -4.618 1.044 1.00 0.00 O ATOM 1309 CB THR A 82 -12.483 -3.238 2.521 1.00 0.00 C ATOM 1310 OG1 THR A 82 -13.195 -2.066 2.943 1.00 0.00 O ATOM 1311 CG2 THR A 82 -11.718 -3.818 3.702 1.00 0.00 C ATOM 0 H THR A 82 -13.180 -1.798 0.659 1.00 0.00 H new ATOM 0 HA THR A 82 -10.680 -2.307 1.753 1.00 0.00 H new ATOM 0 HB THR A 82 -13.182 -3.993 2.161 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.803 -2.299 3.675 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.417 -4.068 4.500 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.190 -4.718 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.999 -3.084 4.066 1.00 0.00 H new ATOM 1319 N GLU A 83 -11.766 -4.700 -0.212 1.00 0.00 N ATOM 1320 CA GLU A 83 -11.422 -5.948 -0.875 1.00 0.00 C ATOM 1321 C GLU A 83 -10.113 -5.841 -1.650 1.00 0.00 C ATOM 1322 O GLU A 83 -9.337 -6.795 -1.719 1.00 0.00 O ATOM 1323 CB GLU A 83 -12.542 -6.326 -1.829 1.00 0.00 C ATOM 1324 CG GLU A 83 -13.883 -6.516 -1.147 1.00 0.00 C ATOM 1325 CD GLU A 83 -14.961 -6.940 -2.115 1.00 0.00 C ATOM 1326 OE1 GLU A 83 -15.062 -8.152 -2.391 1.00 0.00 O ATOM 1327 OE2 GLU A 83 -15.705 -6.066 -2.607 1.00 0.00 O ATOM 0 H GLU A 83 -12.646 -4.291 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.292 -6.713 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.637 -5.551 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.273 -7.247 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.786 -7.266 -0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.178 -5.585 -0.663 1.00 0.00 H new ATOM 1334 N TYR A 84 -9.880 -4.669 -2.222 1.00 0.00 N ATOM 1335 CA TYR A 84 -8.704 -4.424 -3.052 1.00 0.00 C ATOM 1336 C TYR A 84 -7.415 -4.596 -2.249 1.00 0.00 C ATOM 1337 O TYR A 84 -6.377 -4.984 -2.795 1.00 0.00 O ATOM 1338 CB TYR A 84 -8.778 -3.014 -3.647 1.00 0.00 C ATOM 1339 CG TYR A 84 -7.680 -2.709 -4.640 1.00 0.00 C ATOM 1340 CD1 TYR A 84 -7.686 -3.282 -5.905 1.00 0.00 C ATOM 1341 CD2 TYR A 84 -6.637 -1.853 -4.311 1.00 0.00 C ATOM 1342 CE1 TYR A 84 -6.684 -3.011 -6.816 1.00 0.00 C ATOM 1343 CE2 TYR A 84 -5.633 -1.575 -5.217 1.00 0.00 C ATOM 1344 CZ TYR A 84 -5.661 -2.157 -6.466 1.00 0.00 C ATOM 1345 OH TYR A 84 -4.657 -1.894 -7.366 1.00 0.00 O ATOM 0 H TYR A 84 -10.497 -3.862 -2.126 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.692 -5.156 -3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.743 -2.888 -4.137 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.734 -2.286 -2.837 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.488 -3.951 -6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.611 -1.398 -3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.702 -3.465 -7.796 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.830 -0.905 -4.948 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.010 -1.959 -8.278 1.00 0.00 H new ATOM 1355 N MET A 85 -7.489 -4.317 -0.955 1.00 0.00 N ATOM 1356 CA MET A 85 -6.343 -4.452 -0.076 1.00 0.00 C ATOM 1357 C MET A 85 -6.025 -5.918 0.192 1.00 0.00 C ATOM 1358 O MET A 85 -4.864 -6.316 0.211 1.00 0.00 O ATOM 1359 CB MET A 85 -6.613 -3.730 1.242 1.00 0.00 C ATOM 1360 CG MET A 85 -6.386 -2.229 1.186 1.00 0.00 C ATOM 1361 SD MET A 85 -4.656 -1.794 0.915 1.00 0.00 S ATOM 1362 CE MET A 85 -4.725 -0.013 1.093 1.00 0.00 C ATOM 0 H MET A 85 -8.338 -3.994 -0.491 1.00 0.00 H new ATOM 0 HA MET A 85 -5.481 -4.002 -0.568 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.643 -3.920 1.543 1.00 0.00 H new ATOM 0 HB3 MET A 85 -5.972 -4.155 2.014 1.00 0.00 H new ATOM 0 HG2 MET A 85 -6.992 -1.804 0.386 1.00 0.00 H new ATOM 0 HG3 MET A 85 -6.727 -1.779 2.118 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.826 0.430 0.666 1.00 0.00 H new ATOM 0 HE2 MET A 85 -5.602 0.371 0.572 1.00 0.00 H new ATOM 0 HE3 MET A 85 -4.790 0.245 2.150 1.00 0.00 H new ATOM 1372 N LYS A 86 -7.066 -6.725 0.351 1.00 0.00 N ATOM 1373 CA LYS A 86 -6.899 -8.122 0.731 1.00 0.00 C ATOM 1374 C LYS A 86 -6.683 -8.990 -0.509 1.00 0.00 C ATOM 1375 O LYS A 86 -7.168 -10.121 -0.589 1.00 0.00 O ATOM 1376 CB LYS A 86 -8.131 -8.612 1.499 1.00 0.00 C ATOM 1377 CG LYS A 86 -7.869 -9.862 2.330 1.00 0.00 C ATOM 1378 CD LYS A 86 -9.155 -10.608 2.660 1.00 0.00 C ATOM 1379 CE LYS A 86 -9.527 -11.616 1.575 1.00 0.00 C ATOM 1380 NZ LYS A 86 -9.718 -10.982 0.244 1.00 0.00 N ATOM 0 H LYS A 86 -8.036 -6.436 0.223 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.023 -8.202 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.481 -7.815 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.934 -8.817 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.195 -10.524 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.364 -9.583 3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.039 -11.126 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.968 -9.892 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.745 -12.372 1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.444 -12.131 1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.146 -11.669 -0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.344 -10.157 0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.797 -10.676 -0.130 1.00 0.00 H new ATOM 1394 N GLU A 87 -5.957 -8.454 -1.468 1.00 0.00 N ATOM 1395 CA GLU A 87 -5.631 -9.189 -2.677 1.00 0.00 C ATOM 1396 C GLU A 87 -4.138 -9.097 -2.952 1.00 0.00 C ATOM 1397 O GLU A 87 -3.539 -8.025 -2.829 1.00 0.00 O ATOM 1398 CB GLU A 87 -6.430 -8.650 -3.869 1.00 0.00 C ATOM 1399 CG GLU A 87 -6.179 -9.410 -5.163 1.00 0.00 C ATOM 1400 CD GLU A 87 -6.529 -10.883 -5.061 1.00 0.00 C ATOM 1401 OE1 GLU A 87 -5.648 -11.690 -4.693 1.00 0.00 O ATOM 1402 OE2 GLU A 87 -7.689 -11.246 -5.349 1.00 0.00 O ATOM 0 H GLU A 87 -5.579 -7.507 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.900 -10.236 -2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.493 -8.693 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.179 -7.600 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.764 -8.957 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.129 -9.310 -5.440 1.00 0.00 H new ATOM 1409 N LYS A 88 -3.546 -10.214 -3.327 1.00 0.00 N ATOM 1410 CA LYS A 88 -2.119 -10.265 -3.596 1.00 0.00 C ATOM 1411 C LYS A 88 -1.864 -10.599 -5.059 1.00 0.00 C ATOM 1412 O LYS A 88 -2.665 -11.286 -5.699 1.00 0.00 O ATOM 1413 CB LYS A 88 -1.425 -11.285 -2.685 1.00 0.00 C ATOM 1414 CG LYS A 88 -2.029 -12.680 -2.737 1.00 0.00 C ATOM 1415 CD LYS A 88 -1.230 -13.657 -1.889 1.00 0.00 C ATOM 1416 CE LYS A 88 -1.821 -15.060 -1.931 1.00 0.00 C ATOM 1417 NZ LYS A 88 -1.942 -15.578 -3.320 1.00 0.00 N ATOM 0 H LYS A 88 -4.031 -11.102 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.700 -9.281 -3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.373 -11.346 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.463 -10.923 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.060 -12.646 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.057 -13.029 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.199 -13.686 -2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.203 -13.305 -0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.194 -15.734 -1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.804 -15.052 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.119 -16.602 -3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.732 -15.102 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.059 -15.392 -3.838 1.00 0.00 H new