USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 425 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 -48:sc= -0.208 USER MOD Single : A 11 GLN : amide:sc= 0.0774 X(o=0.077,f=-0.14) USER MOD Single : A 15 SER OG : rot 180:sc= -1.08 USER MOD Single : A 16 TYR OH : rot 41:sc= -2.31 USER MOD Single : A 19 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.9!) USER MOD Single : A 20 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.15) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 91:sc= -3.25! USER MOD Single : A 53 MET CE :methyl -158:sc= -2.13 (180deg=-3.01!) USER MOD Single : A 56 SER OG : rot 177:sc=0.000113 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= -0.173 (180deg=-0.174) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -7.571 -6.048 0.833 1.00 0.00 N ATOM 67 CA ARG A 8 -6.565 -6.064 1.881 1.00 0.00 C ATOM 68 C ARG A 8 -6.162 -4.635 2.251 1.00 0.00 C ATOM 69 O ARG A 8 -6.336 -3.711 1.457 1.00 0.00 O ATOM 70 CB ARG A 8 -5.321 -6.838 1.440 1.00 0.00 C ATOM 71 CG ARG A 8 -5.407 -8.304 1.870 1.00 0.00 C ATOM 72 CD ARG A 8 -4.199 -8.697 2.723 1.00 0.00 C ATOM 73 NE ARG A 8 -4.528 -9.878 3.553 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.772 -10.316 4.568 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.639 -9.675 4.886 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.148 -11.397 5.266 1.00 0.00 N ATOM 0 HA ARG A 8 -6.999 -6.560 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.216 -6.778 0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.431 -6.380 1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.325 -8.468 2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.457 -8.943 0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.347 -8.920 2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.908 -7.863 3.362 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.384 -10.390 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.352 -8.853 4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.064 -10.009 5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.010 -11.886 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.572 -11.731 6.039 1.00 0.00 H new ATOM 90 N ARG A 9 -5.632 -4.497 3.457 1.00 0.00 N ATOM 91 CA ARG A 9 -5.203 -3.196 3.942 1.00 0.00 C ATOM 92 C ARG A 9 -3.824 -3.302 4.597 1.00 0.00 C ATOM 93 O ARG A 9 -3.493 -4.325 5.194 1.00 0.00 O ATOM 94 CB ARG A 9 -6.199 -2.631 4.957 1.00 0.00 C ATOM 95 CG ARG A 9 -7.116 -1.593 4.306 1.00 0.00 C ATOM 96 CD ARG A 9 -8.147 -1.067 5.306 1.00 0.00 C ATOM 97 NE ARG A 9 -8.713 0.213 4.825 1.00 0.00 N ATOM 98 CZ ARG A 9 -9.766 0.825 5.382 1.00 0.00 C ATOM 99 NH1 ARG A 9 -10.374 0.279 6.444 1.00 0.00 N ATOM 100 NH2 ARG A 9 -10.211 1.984 4.878 1.00 0.00 N ATOM 0 H ARG A 9 -5.490 -5.265 4.113 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.152 -2.523 3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.798 -3.441 5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.659 -2.175 5.787 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.520 -0.765 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.627 -2.038 3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.944 -1.799 5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.680 -0.924 6.281 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.274 0.657 4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.035 -0.603 6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.176 0.745 6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.748 2.400 4.070 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.013 2.450 5.302 1.00 0.00 H new ATOM 114 N CYS A 10 -3.057 -2.230 4.462 1.00 0.00 N ATOM 115 CA CYS A 10 -1.721 -2.189 5.032 1.00 0.00 C ATOM 116 C CYS A 10 -1.510 -0.811 5.663 1.00 0.00 C ATOM 117 O CYS A 10 -2.232 0.135 5.351 1.00 0.00 O ATOM 118 CB CYS A 10 -0.650 -2.509 3.988 1.00 0.00 C ATOM 119 SG CYS A 10 -0.617 -1.203 2.706 1.00 0.00 S ATOM 0 H CYS A 10 -3.335 -1.383 3.966 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.627 -2.957 5.800 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.326 -2.584 4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.855 -3.476 3.529 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.828 -0.964 2.299 1.00 0.00 H new ATOM 125 N GLN A 11 -0.518 -0.742 6.538 1.00 0.00 N ATOM 126 CA GLN A 11 -0.203 0.505 7.215 1.00 0.00 C ATOM 127 C GLN A 11 1.209 0.966 6.848 1.00 0.00 C ATOM 128 O GLN A 11 2.187 0.519 7.445 1.00 0.00 O ATOM 129 CB GLN A 11 -0.356 0.359 8.731 1.00 0.00 C ATOM 130 CG GLN A 11 -0.271 1.721 9.424 1.00 0.00 C ATOM 131 CD GLN A 11 -1.396 1.886 10.447 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.730 0.980 11.192 1.00 0.00 O ATOM 133 NE2 GLN A 11 -1.960 3.091 10.442 1.00 0.00 N ATOM 0 H GLN A 11 0.078 -1.529 6.794 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.910 1.265 6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.313 -0.111 8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.423 -0.299 9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.694 1.821 9.920 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.331 2.516 8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.632 3.805 9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.720 3.301 11.089 1.00 0.00 H new ATOM 142 N VAL A 12 1.270 1.855 5.867 1.00 0.00 N ATOM 143 CA VAL A 12 2.546 2.382 5.414 1.00 0.00 C ATOM 144 C VAL A 12 3.449 2.632 6.623 1.00 0.00 C ATOM 145 O VAL A 12 3.149 3.481 7.461 1.00 0.00 O ATOM 146 CB VAL A 12 2.322 3.635 4.565 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.646 4.346 4.279 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.591 3.294 3.265 1.00 0.00 C ATOM 0 H VAL A 12 0.457 2.223 5.374 1.00 0.00 H new ATOM 0 HA VAL A 12 3.053 1.659 4.775 1.00 0.00 H new ATOM 0 HB VAL A 12 1.691 4.317 5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.459 5.233 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.112 4.640 5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.312 3.672 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.445 4.202 2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.185 2.584 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.622 2.852 3.498 1.00 0.00 H new ATOM 158 N ALA A 13 4.537 1.878 6.675 1.00 0.00 N ATOM 159 CA ALA A 13 5.485 2.007 7.768 1.00 0.00 C ATOM 160 C ALA A 13 6.638 2.913 7.332 1.00 0.00 C ATOM 161 O ALA A 13 7.481 3.286 8.147 1.00 0.00 O ATOM 162 CB ALA A 13 5.964 0.618 8.196 1.00 0.00 C ATOM 0 H ALA A 13 4.783 1.175 5.978 1.00 0.00 H new ATOM 0 HA ALA A 13 5.012 2.469 8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.675 0.715 9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.111 0.024 8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.447 0.124 7.353 1.00 0.00 H new ATOM 168 N PHE A 14 6.639 3.241 6.049 1.00 0.00 N ATOM 169 CA PHE A 14 7.675 4.096 5.495 1.00 0.00 C ATOM 170 C PHE A 14 7.123 4.960 4.359 1.00 0.00 C ATOM 171 O PHE A 14 6.547 4.441 3.404 1.00 0.00 O ATOM 172 CB PHE A 14 8.764 3.176 4.938 1.00 0.00 C ATOM 173 CG PHE A 14 9.022 1.931 5.789 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.098 0.934 5.832 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.174 1.822 6.503 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.338 -0.222 6.621 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.414 0.667 7.292 1.00 0.00 C ATOM 178 CZ PHE A 14 9.491 -0.331 7.335 1.00 0.00 C ATOM 0 H PHE A 14 5.938 2.930 5.376 1.00 0.00 H new ATOM 0 HA PHE A 14 8.061 4.762 6.267 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.482 2.864 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.692 3.741 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.182 1.021 5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.907 2.615 6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.605 -1.015 6.654 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.330 0.581 7.858 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.673 -1.210 7.936 1.00 0.00 H new ATOM 188 N SER A 15 7.319 6.262 4.500 1.00 0.00 N ATOM 189 CA SER A 15 6.849 7.203 3.497 1.00 0.00 C ATOM 190 C SER A 15 7.637 7.021 2.199 1.00 0.00 C ATOM 191 O SER A 15 8.859 6.883 2.224 1.00 0.00 O ATOM 192 CB SER A 15 6.971 8.645 3.995 1.00 0.00 C ATOM 193 OG SER A 15 6.318 8.835 5.247 1.00 0.00 O ATOM 0 H SER A 15 7.797 6.688 5.294 1.00 0.00 H new ATOM 0 HA SER A 15 5.795 7.001 3.306 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.025 8.907 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.541 9.321 3.256 1.00 0.00 H new ATOM 0 HG SER A 15 6.420 9.767 5.531 1.00 0.00 H new ATOM 199 N TYR A 16 6.905 7.027 1.094 1.00 0.00 N ATOM 200 CA TYR A 16 7.520 6.865 -0.212 1.00 0.00 C ATOM 201 C TYR A 16 7.024 7.933 -1.189 1.00 0.00 C ATOM 202 O TYR A 16 5.822 8.058 -1.420 1.00 0.00 O ATOM 203 CB TYR A 16 7.082 5.488 -0.716 1.00 0.00 C ATOM 204 CG TYR A 16 7.477 5.202 -2.166 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.678 5.647 -3.200 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.632 4.497 -2.441 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.050 5.378 -4.564 1.00 0.00 C ATOM 208 CE2 TYR A 16 9.003 4.228 -3.806 1.00 0.00 C ATOM 209 CZ TYR A 16 8.194 4.681 -4.800 1.00 0.00 C ATOM 210 OH TYR A 16 8.545 4.427 -6.089 1.00 0.00 O ATOM 0 H TYR A 16 5.892 7.142 1.077 1.00 0.00 H new ATOM 0 HA TYR A 16 8.603 6.960 -0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.517 4.722 -0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.999 5.406 -0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.774 6.197 -2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.257 4.147 -1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.434 5.722 -5.382 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.904 3.678 -4.035 1.00 0.00 H new ATOM 0 HH TYR A 16 8.368 5.219 -6.638 1.00 0.00 H new ATOM 220 N LEU A 17 7.975 8.677 -1.735 1.00 0.00 N ATOM 221 CA LEU A 17 7.650 9.730 -2.681 1.00 0.00 C ATOM 222 C LEU A 17 7.680 9.162 -4.101 1.00 0.00 C ATOM 223 O LEU A 17 8.661 8.540 -4.504 1.00 0.00 O ATOM 224 CB LEU A 17 8.573 10.934 -2.481 1.00 0.00 C ATOM 225 CG LEU A 17 8.447 11.660 -1.140 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.231 12.588 -1.130 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.418 10.664 0.022 1.00 0.00 C ATOM 0 H LEU A 17 8.971 8.571 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 17 6.639 10.099 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.604 10.599 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.381 11.651 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 17 9.330 12.286 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.165 13.091 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.334 13.331 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.326 12.004 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.328 11.206 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.566 9.994 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.339 10.082 0.025 1.00 0.00 H new ATOM 239 N PRO A 18 6.564 9.403 -4.841 1.00 0.00 N ATOM 240 CA PRO A 18 6.453 8.922 -6.207 1.00 0.00 C ATOM 241 C PRO A 18 7.306 9.766 -7.156 1.00 0.00 C ATOM 242 O PRO A 18 7.028 10.947 -7.362 1.00 0.00 O ATOM 243 CB PRO A 18 4.969 8.985 -6.528 1.00 0.00 C ATOM 244 CG PRO A 18 4.361 9.929 -5.503 1.00 0.00 C ATOM 245 CD PRO A 18 5.382 10.136 -4.397 1.00 0.00 C ATOM 0 HA PRO A 18 6.830 7.906 -6.327 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.804 9.350 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.514 7.996 -6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.102 10.881 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.439 9.511 -5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.603 11.194 -4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.015 9.756 -3.444 1.00 0.00 H new ATOM 253 N GLN A 19 8.327 9.128 -7.710 1.00 0.00 N ATOM 254 CA GLN A 19 9.222 9.806 -8.632 1.00 0.00 C ATOM 255 C GLN A 19 8.600 9.864 -10.029 1.00 0.00 C ATOM 256 O GLN A 19 9.256 10.269 -10.987 1.00 0.00 O ATOM 257 CB GLN A 19 10.591 9.123 -8.669 1.00 0.00 C ATOM 258 CG GLN A 19 11.071 8.780 -7.257 1.00 0.00 C ATOM 259 CD GLN A 19 12.356 9.538 -6.917 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.012 10.114 -7.769 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.677 9.505 -5.626 1.00 0.00 N ATOM 0 H GLN A 19 8.554 8.149 -7.538 1.00 0.00 H new ATOM 0 HA GLN A 19 9.371 10.827 -8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.532 8.214 -9.268 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.315 9.778 -9.154 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.295 9.030 -6.534 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.246 7.707 -7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.083 9.004 -4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.517 9.981 -5.297 1.00 0.00 H new ATOM 270 N ASN A 20 7.342 9.453 -10.099 1.00 0.00 N ATOM 271 CA ASN A 20 6.625 9.454 -11.363 1.00 0.00 C ATOM 272 C ASN A 20 5.209 9.990 -11.140 1.00 0.00 C ATOM 273 O ASN A 20 4.851 10.363 -10.024 1.00 0.00 O ATOM 274 CB ASN A 20 6.510 8.038 -11.932 1.00 0.00 C ATOM 275 CG ASN A 20 7.859 7.318 -11.885 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.624 7.315 -12.836 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.107 6.708 -10.730 1.00 0.00 N ATOM 0 H ASN A 20 6.801 9.117 -9.302 1.00 0.00 H new ATOM 0 HA ASN A 20 7.177 10.081 -12.064 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.772 7.472 -11.363 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.153 8.083 -12.961 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.981 6.198 -10.600 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.423 6.750 -9.974 1.00 0.00 H new ATOM 284 N ASP A 21 4.443 10.012 -12.220 1.00 0.00 N ATOM 285 CA ASP A 21 3.074 10.496 -12.157 1.00 0.00 C ATOM 286 C ASP A 21 2.113 9.311 -12.264 1.00 0.00 C ATOM 287 O ASP A 21 1.012 9.446 -12.796 1.00 0.00 O ATOM 288 CB ASP A 21 2.775 11.454 -13.312 1.00 0.00 C ATOM 289 CG ASP A 21 1.480 12.256 -13.168 1.00 0.00 C ATOM 290 OD1 ASP A 21 0.602 11.786 -12.413 1.00 0.00 O ATOM 291 OD2 ASP A 21 1.398 13.322 -13.816 1.00 0.00 O ATOM 0 H ASP A 21 4.744 9.703 -13.144 1.00 0.00 H new ATOM 0 HA ASP A 21 2.945 11.021 -11.211 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.607 12.151 -13.411 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.728 10.880 -14.237 1.00 0.00 H new ATOM 296 N ASP A 22 2.564 8.176 -11.751 1.00 0.00 N ATOM 297 CA ASP A 22 1.757 6.968 -11.782 1.00 0.00 C ATOM 298 C ASP A 22 2.109 6.093 -10.577 1.00 0.00 C ATOM 299 O ASP A 22 1.863 4.888 -10.587 1.00 0.00 O ATOM 300 CB ASP A 22 2.029 6.156 -13.050 1.00 0.00 C ATOM 301 CG ASP A 22 0.869 5.274 -13.515 1.00 0.00 C ATOM 302 OD1 ASP A 22 -0.258 5.810 -13.586 1.00 0.00 O ATOM 303 OD2 ASP A 22 1.135 4.084 -13.789 1.00 0.00 O ATOM 0 H ASP A 22 3.478 8.067 -11.311 1.00 0.00 H new ATOM 0 HA ASP A 22 0.708 7.263 -11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.288 6.844 -13.855 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.900 5.524 -12.878 1.00 0.00 H new ATOM 308 N GLU A 23 2.680 6.735 -9.567 1.00 0.00 N ATOM 309 CA GLU A 23 3.068 6.030 -8.357 1.00 0.00 C ATOM 310 C GLU A 23 2.268 6.549 -7.161 1.00 0.00 C ATOM 311 O GLU A 23 1.727 7.653 -7.203 1.00 0.00 O ATOM 312 CB GLU A 23 4.572 6.158 -8.107 1.00 0.00 C ATOM 313 CG GLU A 23 5.334 4.996 -8.748 1.00 0.00 C ATOM 314 CD GLU A 23 6.540 4.595 -7.896 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.304 3.990 -6.828 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.671 4.904 -8.331 1.00 0.00 O ATOM 0 H GLU A 23 2.883 7.735 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 23 2.843 4.972 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.933 7.103 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.766 6.177 -7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.668 4.141 -8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.668 5.282 -9.746 1.00 0.00 H new ATOM 323 N LEU A 24 2.218 5.729 -6.122 1.00 0.00 N ATOM 324 CA LEU A 24 1.493 6.091 -4.916 1.00 0.00 C ATOM 325 C LEU A 24 2.462 6.716 -3.911 1.00 0.00 C ATOM 326 O LEU A 24 3.620 6.309 -3.824 1.00 0.00 O ATOM 327 CB LEU A 24 0.731 4.884 -4.366 1.00 0.00 C ATOM 328 CG LEU A 24 -0.416 4.361 -5.234 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.221 3.292 -4.493 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.301 5.510 -5.722 1.00 0.00 C ATOM 0 H LEU A 24 2.668 4.814 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 24 0.736 6.843 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.441 4.072 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.329 5.148 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 24 0.012 3.886 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.030 2.937 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.568 2.457 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.639 3.718 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.108 5.112 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.723 6.034 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.703 6.204 -6.313 1.00 0.00 H new ATOM 342 N GLU A 25 1.955 7.696 -3.178 1.00 0.00 N ATOM 343 CA GLU A 25 2.761 8.382 -2.183 1.00 0.00 C ATOM 344 C GLU A 25 2.497 7.800 -0.793 1.00 0.00 C ATOM 345 O GLU A 25 1.494 8.126 -0.161 1.00 0.00 O ATOM 346 CB GLU A 25 2.497 9.889 -2.207 1.00 0.00 C ATOM 347 CG GLU A 25 3.303 10.603 -1.120 1.00 0.00 C ATOM 348 CD GLU A 25 2.919 12.082 -1.036 1.00 0.00 C ATOM 349 OE1 GLU A 25 3.489 12.863 -1.829 1.00 0.00 O ATOM 350 OE2 GLU A 25 2.064 12.399 -0.181 1.00 0.00 O ATOM 0 H GLU A 25 0.995 8.032 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 25 3.812 8.228 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.760 10.293 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.434 10.078 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.128 10.123 -0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.368 10.511 -1.333 1.00 0.00 H new ATOM 357 N LEU A 26 3.414 6.949 -0.358 1.00 0.00 N ATOM 358 CA LEU A 26 3.293 6.319 0.946 1.00 0.00 C ATOM 359 C LEU A 26 3.625 7.342 2.034 1.00 0.00 C ATOM 360 O LEU A 26 4.585 8.100 1.907 1.00 0.00 O ATOM 361 CB LEU A 26 4.149 5.053 1.010 1.00 0.00 C ATOM 362 CG LEU A 26 4.053 4.116 -0.196 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.169 3.070 -0.168 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.667 3.473 -0.282 1.00 0.00 C ATOM 0 H LEU A 26 4.245 6.681 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 26 2.268 5.992 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.191 5.349 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.869 4.494 1.903 1.00 0.00 H new ATOM 0 HG LEU A 26 4.190 4.709 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.078 2.417 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.137 3.570 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.089 2.476 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.626 2.812 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.476 2.897 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.911 4.251 -0.383 1.00 0.00 H new ATOM 376 N LYS A 27 2.812 7.330 3.080 1.00 0.00 N ATOM 377 CA LYS A 27 3.007 8.247 4.190 1.00 0.00 C ATOM 378 C LYS A 27 2.763 7.506 5.507 1.00 0.00 C ATOM 379 O LYS A 27 1.662 7.017 5.754 1.00 0.00 O ATOM 380 CB LYS A 27 2.136 9.493 4.016 1.00 0.00 C ATOM 381 CG LYS A 27 2.955 10.660 3.461 1.00 0.00 C ATOM 382 CD LYS A 27 2.262 11.996 3.737 1.00 0.00 C ATOM 383 CE LYS A 27 2.953 12.747 4.877 1.00 0.00 C ATOM 384 NZ LYS A 27 2.065 12.827 6.058 1.00 0.00 N ATOM 0 H LYS A 27 2.017 6.700 3.182 1.00 0.00 H new ATOM 0 HA LYS A 27 4.036 8.606 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.308 9.272 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.700 9.773 4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.947 10.660 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.094 10.533 2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.272 12.608 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.217 11.822 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.880 12.240 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.222 13.751 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.549 13.340 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.192 13.331 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.829 11.867 6.381 1.00 0.00 H new ATOM 398 N VAL A 28 3.809 7.447 6.318 1.00 0.00 N ATOM 399 CA VAL A 28 3.723 6.774 7.603 1.00 0.00 C ATOM 400 C VAL A 28 2.324 6.980 8.188 1.00 0.00 C ATOM 401 O VAL A 28 1.964 8.093 8.568 1.00 0.00 O ATOM 402 CB VAL A 28 4.837 7.268 8.528 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.719 6.633 9.915 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.214 7.003 7.918 1.00 0.00 C ATOM 0 H VAL A 28 4.721 7.854 6.110 1.00 0.00 H new ATOM 0 HA VAL A 28 3.871 5.701 7.483 1.00 0.00 H new ATOM 0 HB VAL A 28 4.724 8.346 8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.523 7.001 10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.757 6.896 10.355 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.793 5.549 9.826 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.988 7.364 8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.341 5.932 7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.296 7.524 6.964 1.00 0.00 H new ATOM 414 N GLY A 29 1.574 5.889 8.243 1.00 0.00 N ATOM 415 CA GLY A 29 0.223 5.936 8.775 1.00 0.00 C ATOM 416 C GLY A 29 -0.809 5.666 7.678 1.00 0.00 C ATOM 417 O GLY A 29 -1.842 5.050 7.931 1.00 0.00 O ATOM 0 H GLY A 29 1.877 4.967 7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.116 5.198 9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.038 6.913 9.221 1.00 0.00 H new ATOM 421 N ASP A 30 -0.491 6.142 6.483 1.00 0.00 N ATOM 422 CA ASP A 30 -1.378 5.960 5.346 1.00 0.00 C ATOM 423 C ASP A 30 -1.814 4.495 5.274 1.00 0.00 C ATOM 424 O ASP A 30 -1.016 3.593 5.525 1.00 0.00 O ATOM 425 CB ASP A 30 -0.670 6.308 4.035 1.00 0.00 C ATOM 426 CG ASP A 30 -0.545 7.805 3.745 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.599 8.579 4.725 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.398 8.141 2.550 1.00 0.00 O ATOM 0 H ASP A 30 0.368 6.653 6.277 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.236 6.619 5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.329 5.872 4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.209 5.838 3.213 1.00 0.00 H new ATOM 433 N ILE A 31 -3.078 4.303 4.929 1.00 0.00 N ATOM 434 CA ILE A 31 -3.630 2.963 4.821 1.00 0.00 C ATOM 435 C ILE A 31 -4.034 2.699 3.369 1.00 0.00 C ATOM 436 O ILE A 31 -5.031 3.239 2.890 1.00 0.00 O ATOM 437 CB ILE A 31 -4.771 2.771 5.822 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.325 3.140 7.238 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.330 1.348 5.749 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.441 2.873 8.251 1.00 0.00 C ATOM 0 H ILE A 31 -3.737 5.053 4.720 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.878 2.219 5.084 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.581 3.449 5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.440 2.563 7.506 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.042 4.192 7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.140 1.238 6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.710 1.157 4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.539 0.634 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.098 3.144 9.250 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.316 3.469 7.994 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.704 1.815 8.232 1.00 0.00 H new ATOM 452 N ILE A 32 -3.241 1.868 2.709 1.00 0.00 N ATOM 453 CA ILE A 32 -3.504 1.525 1.322 1.00 0.00 C ATOM 454 C ILE A 32 -4.373 0.267 1.268 1.00 0.00 C ATOM 455 O ILE A 32 -4.002 -0.772 1.810 1.00 0.00 O ATOM 456 CB ILE A 32 -2.193 1.401 0.543 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.780 2.747 -0.055 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.290 0.306 -0.522 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.261 2.923 -0.015 1.00 0.00 C ATOM 0 H ILE A 32 -2.416 1.422 3.109 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.065 2.321 0.832 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.409 1.105 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.130 2.814 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.258 3.556 0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.345 0.238 -1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.504 -0.650 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.090 0.548 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.005 3.888 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.083 2.880 1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.213 2.126 -0.589 1.00 0.00 H new ATOM 471 N GLU A 33 -5.514 0.403 0.608 1.00 0.00 N ATOM 472 CA GLU A 33 -6.439 -0.709 0.476 1.00 0.00 C ATOM 473 C GLU A 33 -5.955 -1.677 -0.606 1.00 0.00 C ATOM 474 O GLU A 33 -6.479 -1.682 -1.719 1.00 0.00 O ATOM 475 CB GLU A 33 -7.855 -0.213 0.173 1.00 0.00 C ATOM 476 CG GLU A 33 -8.824 -0.606 1.290 1.00 0.00 C ATOM 477 CD GLU A 33 -10.251 -0.744 0.754 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.644 0.135 -0.044 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.915 -1.724 1.155 1.00 0.00 O ATOM 0 H GLU A 33 -5.819 1.267 0.159 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.472 -1.242 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.848 0.871 0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.196 -0.632 -0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.507 -1.548 1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.799 0.145 2.079 1.00 0.00 H new ATOM 486 N VAL A 34 -4.960 -2.472 -0.241 1.00 0.00 N ATOM 487 CA VAL A 34 -4.399 -3.441 -1.167 1.00 0.00 C ATOM 488 C VAL A 34 -5.522 -4.036 -2.018 1.00 0.00 C ATOM 489 O VAL A 34 -6.411 -4.708 -1.498 1.00 0.00 O ATOM 490 CB VAL A 34 -3.606 -4.501 -0.398 1.00 0.00 C ATOM 491 CG1 VAL A 34 -3.024 -5.548 -1.350 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.506 -3.856 0.447 1.00 0.00 C ATOM 0 H VAL A 34 -4.528 -2.465 0.683 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.697 -2.958 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.293 -5.009 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.466 -6.289 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.834 -6.040 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.357 -5.062 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.958 -4.631 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.821 -3.310 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.954 -3.167 1.163 1.00 0.00 H new ATOM 502 N VAL A 35 -5.446 -3.768 -3.314 1.00 0.00 N ATOM 503 CA VAL A 35 -6.445 -4.268 -4.242 1.00 0.00 C ATOM 504 C VAL A 35 -5.854 -5.429 -5.044 1.00 0.00 C ATOM 505 O VAL A 35 -6.517 -6.444 -5.255 1.00 0.00 O ATOM 506 CB VAL A 35 -6.954 -3.129 -5.127 1.00 0.00 C ATOM 507 CG1 VAL A 35 -5.950 -2.804 -6.235 1.00 0.00 C ATOM 508 CG2 VAL A 35 -8.328 -3.461 -5.712 1.00 0.00 C ATOM 0 H VAL A 35 -4.707 -3.211 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.310 -4.653 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.061 -2.242 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.337 -1.991 -6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.002 -2.503 -5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.795 -3.686 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.667 -2.635 -6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.258 -4.367 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.040 -3.619 -4.902 1.00 0.00 H new ATOM 518 N GLY A 36 -4.613 -5.242 -5.469 1.00 0.00 N ATOM 519 CA GLY A 36 -3.925 -6.261 -6.243 1.00 0.00 C ATOM 520 C GLY A 36 -2.408 -6.146 -6.076 1.00 0.00 C ATOM 521 O GLY A 36 -1.929 -5.406 -5.218 1.00 0.00 O ATOM 0 H GLY A 36 -4.066 -4.399 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.256 -7.250 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.187 -6.161 -7.296 1.00 0.00 H new ATOM 525 N GLU A 37 -1.695 -6.889 -6.910 1.00 0.00 N ATOM 526 CA GLU A 37 -0.243 -6.879 -6.865 1.00 0.00 C ATOM 527 C GLU A 37 0.329 -6.577 -8.252 1.00 0.00 C ATOM 528 O GLU A 37 -0.084 -7.179 -9.242 1.00 0.00 O ATOM 529 CB GLU A 37 0.298 -8.205 -6.326 1.00 0.00 C ATOM 530 CG GLU A 37 1.765 -8.398 -6.715 1.00 0.00 C ATOM 531 CD GLU A 37 2.442 -9.429 -5.810 1.00 0.00 C ATOM 532 OE1 GLU A 37 2.034 -10.608 -5.889 1.00 0.00 O ATOM 533 OE2 GLU A 37 3.351 -9.015 -5.059 1.00 0.00 O ATOM 0 H GLU A 37 -2.096 -7.501 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 37 0.074 -6.090 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.200 -8.227 -5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.297 -9.030 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.830 -8.723 -7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.292 -7.446 -6.645 1.00 0.00 H new ATOM 540 N VAL A 38 1.271 -5.645 -8.279 1.00 0.00 N ATOM 541 CA VAL A 38 1.903 -5.257 -9.528 1.00 0.00 C ATOM 542 C VAL A 38 2.969 -6.290 -9.898 1.00 0.00 C ATOM 543 O VAL A 38 2.850 -6.972 -10.914 1.00 0.00 O ATOM 544 CB VAL A 38 2.461 -3.837 -9.412 1.00 0.00 C ATOM 545 CG1 VAL A 38 2.911 -3.311 -10.776 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.438 -2.896 -8.772 1.00 0.00 C ATOM 0 H VAL A 38 1.611 -5.148 -7.456 1.00 0.00 H new ATOM 0 HA VAL A 38 1.173 -5.240 -10.337 1.00 0.00 H new ATOM 0 HB VAL A 38 3.335 -3.873 -8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.303 -2.300 -10.665 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.689 -3.960 -11.178 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.062 -3.297 -11.459 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.860 -1.894 -8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.537 -2.868 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.188 -3.255 -7.774 1.00 0.00 H new ATOM 556 N GLU A 39 3.986 -6.372 -9.053 1.00 0.00 N ATOM 557 CA GLU A 39 5.072 -7.310 -9.279 1.00 0.00 C ATOM 558 C GLU A 39 5.794 -7.613 -7.964 1.00 0.00 C ATOM 559 O GLU A 39 5.495 -7.010 -6.934 1.00 0.00 O ATOM 560 CB GLU A 39 6.048 -6.778 -10.330 1.00 0.00 C ATOM 561 CG GLU A 39 6.742 -5.506 -9.839 1.00 0.00 C ATOM 562 CD GLU A 39 7.934 -5.152 -10.731 1.00 0.00 C ATOM 563 OE1 GLU A 39 8.911 -5.932 -10.708 1.00 0.00 O ATOM 564 OE2 GLU A 39 7.842 -4.110 -11.415 1.00 0.00 O ATOM 0 H GLU A 39 4.081 -5.804 -8.211 1.00 0.00 H new ATOM 0 HA GLU A 39 4.649 -8.239 -9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.794 -7.539 -10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.513 -6.570 -11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.031 -4.680 -9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.080 -5.645 -8.812 1.00 0.00 H new ATOM 571 N GLU A 40 6.731 -8.546 -8.042 1.00 0.00 N ATOM 572 CA GLU A 40 7.498 -8.936 -6.871 1.00 0.00 C ATOM 573 C GLU A 40 8.095 -7.701 -6.192 1.00 0.00 C ATOM 574 O GLU A 40 8.946 -7.024 -6.765 1.00 0.00 O ATOM 575 CB GLU A 40 8.592 -9.940 -7.241 1.00 0.00 C ATOM 576 CG GLU A 40 9.097 -10.682 -6.002 1.00 0.00 C ATOM 577 CD GLU A 40 10.619 -10.575 -5.881 1.00 0.00 C ATOM 578 OE1 GLU A 40 11.300 -11.204 -6.720 1.00 0.00 O ATOM 579 OE2 GLU A 40 11.066 -9.867 -4.954 1.00 0.00 O ATOM 0 H GLU A 40 6.977 -9.043 -8.898 1.00 0.00 H new ATOM 0 HA GLU A 40 6.825 -9.425 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.203 -10.656 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.421 -9.420 -7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.628 -10.268 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.806 -11.731 -6.058 1.00 0.00 H new ATOM 586 N GLY A 41 7.624 -7.447 -4.980 1.00 0.00 N ATOM 587 CA GLY A 41 8.100 -6.306 -4.217 1.00 0.00 C ATOM 588 C GLY A 41 7.242 -5.068 -4.487 1.00 0.00 C ATOM 589 O GLY A 41 7.440 -4.023 -3.869 1.00 0.00 O ATOM 0 H GLY A 41 6.918 -8.012 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.080 -6.542 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.138 -6.097 -4.477 1.00 0.00 H new ATOM 593 N TRP A 42 6.306 -5.227 -5.412 1.00 0.00 N ATOM 594 CA TRP A 42 5.417 -4.136 -5.772 1.00 0.00 C ATOM 595 C TRP A 42 3.979 -4.652 -5.693 1.00 0.00 C ATOM 596 O TRP A 42 3.660 -5.700 -6.252 1.00 0.00 O ATOM 597 CB TRP A 42 5.774 -3.570 -7.148 1.00 0.00 C ATOM 598 CG TRP A 42 7.077 -2.769 -7.173 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.331 -3.235 -7.248 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.204 -1.332 -7.119 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.253 -2.209 -7.247 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.546 -1.015 -7.165 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.218 -0.334 -7.033 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.025 0.301 -7.132 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.712 0.976 -7.000 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.060 1.312 -7.046 1.00 0.00 C ATOM 0 H TRP A 42 6.144 -6.095 -5.923 1.00 0.00 H new ATOM 0 HA TRP A 42 5.527 -3.304 -5.077 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.852 -4.393 -7.859 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.960 -2.930 -7.489 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.588 -4.283 -7.302 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.267 -2.308 -7.297 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.163 -0.560 -6.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.081 0.524 -7.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.996 1.781 -6.934 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.362 2.349 -7.016 1.00 0.00 H new ATOM 617 N TRP A 43 3.149 -3.892 -4.993 1.00 0.00 N ATOM 618 CA TRP A 43 1.753 -4.259 -4.833 1.00 0.00 C ATOM 619 C TRP A 43 0.897 -3.130 -5.411 1.00 0.00 C ATOM 620 O TRP A 43 1.383 -2.017 -5.606 1.00 0.00 O ATOM 621 CB TRP A 43 1.430 -4.564 -3.369 1.00 0.00 C ATOM 622 CG TRP A 43 1.946 -5.921 -2.887 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.489 -6.904 -3.618 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.944 -6.409 -1.529 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.836 -7.985 -2.834 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.495 -7.674 -1.523 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.493 -5.801 -0.344 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.645 -8.439 -0.360 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.651 -6.578 0.809 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.203 -7.854 0.832 1.00 0.00 C ATOM 0 H TRP A 43 3.417 -3.023 -4.530 1.00 0.00 H new ATOM 0 HA TRP A 43 1.532 -5.177 -5.377 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.858 -3.781 -2.743 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.349 -4.528 -3.231 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.637 -6.856 -4.687 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.264 -8.853 -3.157 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.059 -4.812 -0.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.079 -9.428 -0.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.321 -6.157 1.747 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.290 -8.391 1.765 1.00 0.00 H new ATOM 641 N GLU A 44 -0.360 -3.457 -5.670 1.00 0.00 N ATOM 642 CA GLU A 44 -1.288 -2.483 -6.222 1.00 0.00 C ATOM 643 C GLU A 44 -2.452 -2.252 -5.256 1.00 0.00 C ATOM 644 O GLU A 44 -3.184 -3.184 -4.927 1.00 0.00 O ATOM 645 CB GLU A 44 -1.794 -2.927 -7.595 1.00 0.00 C ATOM 646 CG GLU A 44 -2.402 -1.750 -8.362 1.00 0.00 C ATOM 647 CD GLU A 44 -2.292 -1.965 -9.873 1.00 0.00 C ATOM 648 OE1 GLU A 44 -3.152 -2.698 -10.406 1.00 0.00 O ATOM 649 OE2 GLU A 44 -1.350 -1.390 -10.460 1.00 0.00 O ATOM 0 H GLU A 44 -0.758 -4.382 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.759 -1.539 -6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.972 -3.354 -8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.540 -3.712 -7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.449 -1.632 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.892 -0.828 -8.084 1.00 0.00 H new ATOM 656 N GLY A 45 -2.587 -1.005 -4.830 1.00 0.00 N ATOM 657 CA GLY A 45 -3.649 -0.640 -3.909 1.00 0.00 C ATOM 658 C GLY A 45 -4.103 0.803 -4.139 1.00 0.00 C ATOM 659 O GLY A 45 -3.699 1.436 -5.113 1.00 0.00 O ATOM 0 H GLY A 45 -1.978 -0.235 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.495 -1.316 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.301 -0.756 -2.883 1.00 0.00 H new ATOM 663 N VAL A 46 -4.937 1.280 -3.227 1.00 0.00 N ATOM 664 CA VAL A 46 -5.450 2.636 -3.319 1.00 0.00 C ATOM 665 C VAL A 46 -4.851 3.481 -2.193 1.00 0.00 C ATOM 666 O VAL A 46 -4.410 2.945 -1.178 1.00 0.00 O ATOM 667 CB VAL A 46 -6.980 2.619 -3.305 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.537 3.913 -2.708 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.539 2.378 -4.708 1.00 0.00 C ATOM 0 H VAL A 46 -5.270 0.752 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.152 3.094 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.300 1.792 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.626 3.875 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.179 4.025 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.203 4.762 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.628 2.371 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.205 3.173 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.183 1.418 -5.082 1.00 0.00 H new ATOM 679 N LEU A 47 -4.856 4.788 -2.410 1.00 0.00 N ATOM 680 CA LEU A 47 -4.318 5.712 -1.426 1.00 0.00 C ATOM 681 C LEU A 47 -5.203 6.959 -1.367 1.00 0.00 C ATOM 682 O LEU A 47 -4.987 7.913 -2.112 1.00 0.00 O ATOM 683 CB LEU A 47 -2.848 6.014 -1.721 1.00 0.00 C ATOM 684 CG LEU A 47 -2.180 7.049 -0.813 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.268 6.628 0.655 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.737 7.311 -1.249 1.00 0.00 C ATOM 0 H LEU A 47 -5.224 5.229 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.333 5.262 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.286 5.083 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.768 6.359 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.722 7.990 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.786 7.381 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.315 6.533 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.766 5.670 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.285 8.050 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.168 6.383 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.729 7.687 -2.272 1.00 0.00 H new ATOM 698 N ASN A 48 -6.180 6.910 -0.474 1.00 0.00 N ATOM 699 CA ASN A 48 -7.099 8.024 -0.308 1.00 0.00 C ATOM 700 C ASN A 48 -7.786 8.316 -1.643 1.00 0.00 C ATOM 701 O ASN A 48 -7.840 9.465 -2.079 1.00 0.00 O ATOM 702 CB ASN A 48 -6.357 9.289 0.129 1.00 0.00 C ATOM 703 CG ASN A 48 -6.334 9.413 1.653 1.00 0.00 C ATOM 704 OD1 ASN A 48 -7.335 9.689 2.295 1.00 0.00 O ATOM 705 ND2 ASN A 48 -5.139 9.195 2.196 1.00 0.00 N ATOM 0 H ASN A 48 -6.356 6.117 0.142 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.827 7.750 0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.336 9.266 -0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.840 10.165 -0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.020 9.255 3.207 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.342 8.968 1.601 1.00 0.00 H new ATOM 712 N GLY A 49 -8.294 7.257 -2.255 1.00 0.00 N ATOM 713 CA GLY A 49 -8.976 7.385 -3.531 1.00 0.00 C ATOM 714 C GLY A 49 -7.998 7.212 -4.695 1.00 0.00 C ATOM 715 O GLY A 49 -8.376 6.733 -5.763 1.00 0.00 O ATOM 0 H GLY A 49 -8.247 6.306 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.767 6.638 -3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.454 8.362 -3.595 1.00 0.00 H new ATOM 719 N LYS A 50 -6.759 7.612 -4.449 1.00 0.00 N ATOM 720 CA LYS A 50 -5.724 7.508 -5.463 1.00 0.00 C ATOM 721 C LYS A 50 -5.379 6.033 -5.684 1.00 0.00 C ATOM 722 O LYS A 50 -5.743 5.179 -4.877 1.00 0.00 O ATOM 723 CB LYS A 50 -4.518 8.372 -5.089 1.00 0.00 C ATOM 724 CG LYS A 50 -3.876 8.987 -6.334 1.00 0.00 C ATOM 725 CD LYS A 50 -3.523 10.457 -6.100 1.00 0.00 C ATOM 726 CE LYS A 50 -2.101 10.598 -5.553 1.00 0.00 C ATOM 727 NZ LYS A 50 -1.688 12.019 -5.545 1.00 0.00 N ATOM 0 H LYS A 50 -6.449 8.009 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.083 7.898 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.831 9.164 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.783 7.767 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.976 8.431 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.560 8.904 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.613 11.010 -7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.232 10.898 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.052 10.193 -4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.411 10.016 -6.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.721 12.097 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.716 12.394 -6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.337 12.566 -4.944 1.00 0.00 H new ATOM 741 N THR A 51 -4.680 5.780 -6.780 1.00 0.00 N ATOM 742 CA THR A 51 -4.282 4.424 -7.117 1.00 0.00 C ATOM 743 C THR A 51 -2.952 4.431 -7.874 1.00 0.00 C ATOM 744 O THR A 51 -2.693 5.330 -8.673 1.00 0.00 O ATOM 745 CB THR A 51 -5.424 3.777 -7.903 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.582 4.043 -7.116 1.00 0.00 O ATOM 747 CG2 THR A 51 -5.330 2.250 -7.923 1.00 0.00 C ATOM 0 H THR A 51 -4.379 6.491 -7.446 1.00 0.00 H new ATOM 0 HA THR A 51 -4.107 3.829 -6.220 1.00 0.00 H new ATOM 0 HB THR A 51 -5.419 4.154 -8.926 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.987 4.887 -7.405 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.164 1.842 -8.494 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.391 1.949 -8.387 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.368 1.870 -6.902 1.00 0.00 H new ATOM 755 N GLY A 52 -2.144 3.418 -7.595 1.00 0.00 N ATOM 756 CA GLY A 52 -0.847 3.296 -8.239 1.00 0.00 C ATOM 757 C GLY A 52 -0.121 2.032 -7.775 1.00 0.00 C ATOM 758 O GLY A 52 -0.744 1.115 -7.241 1.00 0.00 O ATOM 0 H GLY A 52 -2.363 2.674 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.975 3.269 -9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.240 4.172 -8.011 1.00 0.00 H new ATOM 762 N MET A 53 1.185 2.024 -7.996 1.00 0.00 N ATOM 763 CA MET A 53 2.002 0.887 -7.607 1.00 0.00 C ATOM 764 C MET A 53 3.009 1.280 -6.524 1.00 0.00 C ATOM 765 O MET A 53 3.810 2.193 -6.718 1.00 0.00 O ATOM 766 CB MET A 53 2.751 0.354 -8.831 1.00 0.00 C ATOM 767 CG MET A 53 3.305 1.502 -9.678 1.00 0.00 C ATOM 768 SD MET A 53 4.282 0.852 -11.022 1.00 0.00 S ATOM 769 CE MET A 53 5.818 0.542 -10.167 1.00 0.00 C ATOM 0 H MET A 53 1.698 2.786 -8.439 1.00 0.00 H new ATOM 0 HA MET A 53 1.347 0.114 -7.205 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.568 -0.292 -8.509 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.080 -0.257 -9.435 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.485 2.103 -10.071 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.915 2.160 -9.059 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.636 0.512 -10.887 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.000 1.338 -9.445 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.758 -0.413 -9.646 1.00 0.00 H new ATOM 779 N PHE A 54 2.935 0.571 -5.407 1.00 0.00 N ATOM 780 CA PHE A 54 3.830 0.835 -4.293 1.00 0.00 C ATOM 781 C PHE A 54 4.558 -0.440 -3.861 1.00 0.00 C ATOM 782 O PHE A 54 4.082 -1.546 -4.113 1.00 0.00 O ATOM 783 CB PHE A 54 2.965 1.332 -3.133 1.00 0.00 C ATOM 784 CG PHE A 54 2.088 0.249 -2.502 1.00 0.00 C ATOM 785 CD1 PHE A 54 0.837 0.020 -2.983 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.560 -0.486 -1.459 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.023 -0.985 -2.397 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.746 -1.491 -0.873 1.00 0.00 C ATOM 789 CZ PHE A 54 0.495 -1.720 -1.354 1.00 0.00 C ATOM 0 H PHE A 54 2.269 -0.186 -5.250 1.00 0.00 H new ATOM 0 HA PHE A 54 4.581 1.569 -4.584 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.613 1.754 -2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.326 2.140 -3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.462 0.603 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.554 -0.305 -1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.971 -1.166 -2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.121 -2.074 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.124 -2.485 -0.908 1.00 0.00 H new ATOM 799 N PRO A 55 5.729 -0.237 -3.201 1.00 0.00 N ATOM 800 CA PRO A 55 6.528 -1.357 -2.732 1.00 0.00 C ATOM 801 C PRO A 55 5.900 -1.996 -1.492 1.00 0.00 C ATOM 802 O PRO A 55 5.500 -1.295 -0.563 1.00 0.00 O ATOM 803 CB PRO A 55 7.906 -0.773 -2.467 1.00 0.00 C ATOM 804 CG PRO A 55 7.707 0.729 -2.351 1.00 0.00 C ATOM 805 CD PRO A 55 6.323 1.059 -2.886 1.00 0.00 C ATOM 0 HA PRO A 55 6.587 -2.167 -3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.334 -1.182 -1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.595 -1.014 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.801 1.047 -1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.472 1.260 -2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.730 1.597 -2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.381 1.693 -3.770 1.00 0.00 H new ATOM 813 N SER A 56 5.833 -3.319 -1.517 1.00 0.00 N ATOM 814 CA SER A 56 5.261 -4.060 -0.406 1.00 0.00 C ATOM 815 C SER A 56 6.334 -4.332 0.650 1.00 0.00 C ATOM 816 O SER A 56 6.103 -5.084 1.596 1.00 0.00 O ATOM 817 CB SER A 56 4.640 -5.375 -0.882 1.00 0.00 C ATOM 818 OG SER A 56 5.631 -6.333 -1.243 1.00 0.00 O ATOM 0 H SER A 56 6.165 -3.897 -2.289 1.00 0.00 H new ATOM 0 HA SER A 56 4.470 -3.455 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.010 -5.785 -0.093 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.994 -5.182 -1.738 1.00 0.00 H new ATOM 0 HG SER A 56 5.196 -7.175 -1.493 1.00 0.00 H new ATOM 824 N ASN A 57 7.485 -3.705 0.454 1.00 0.00 N ATOM 825 CA ASN A 57 8.594 -3.870 1.377 1.00 0.00 C ATOM 826 C ASN A 57 8.656 -2.662 2.314 1.00 0.00 C ATOM 827 O ASN A 57 9.619 -2.501 3.063 1.00 0.00 O ATOM 828 CB ASN A 57 9.926 -3.957 0.629 1.00 0.00 C ATOM 829 CG ASN A 57 10.114 -5.340 0.003 1.00 0.00 C ATOM 830 OD1 ASN A 57 9.722 -5.600 -1.123 1.00 0.00 O ATOM 831 ND2 ASN A 57 10.735 -6.211 0.794 1.00 0.00 N ATOM 0 H ASN A 57 7.673 -3.082 -0.331 1.00 0.00 H new ATOM 0 HA ASN A 57 8.433 -4.792 1.935 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.961 -3.194 -0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.747 -3.750 1.316 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.909 -7.162 0.468 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.037 -5.928 1.726 1.00 0.00 H new ATOM 838 N PHE A 58 7.617 -1.843 2.242 1.00 0.00 N ATOM 839 CA PHE A 58 7.541 -0.655 3.074 1.00 0.00 C ATOM 840 C PHE A 58 6.149 -0.504 3.690 1.00 0.00 C ATOM 841 O PHE A 58 5.622 0.604 3.779 1.00 0.00 O ATOM 842 CB PHE A 58 7.817 0.545 2.166 1.00 0.00 C ATOM 843 CG PHE A 58 9.210 0.540 1.534 1.00 0.00 C ATOM 844 CD1 PHE A 58 9.551 -0.432 0.646 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.109 1.508 1.860 1.00 0.00 C ATOM 846 CE1 PHE A 58 10.844 -0.437 0.059 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.402 1.503 1.274 1.00 0.00 C ATOM 848 CZ PHE A 58 11.742 0.531 0.385 1.00 0.00 C ATOM 0 H PHE A 58 6.820 -1.979 1.620 1.00 0.00 H new ATOM 0 HA PHE A 58 8.263 -0.724 3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.070 0.567 1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.695 1.461 2.744 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.838 -1.201 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.839 2.280 2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.114 -1.209 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.116 2.271 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.725 0.528 -0.062 1.00 0.00 H new ATOM 858 N ILE A 59 5.592 -1.635 4.098 1.00 0.00 N ATOM 859 CA ILE A 59 4.270 -1.643 4.702 1.00 0.00 C ATOM 860 C ILE A 59 4.235 -2.679 5.828 1.00 0.00 C ATOM 861 O ILE A 59 5.268 -3.238 6.194 1.00 0.00 O ATOM 862 CB ILE A 59 3.195 -1.856 3.636 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.578 -2.998 2.691 1.00 0.00 C ATOM 864 CG2 ILE A 59 2.907 -0.558 2.879 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.221 -4.356 3.299 1.00 0.00 C ATOM 0 H ILE A 59 6.032 -2.552 4.022 1.00 0.00 H new ATOM 0 HA ILE A 59 4.051 -0.675 5.152 1.00 0.00 H new ATOM 0 HB ILE A 59 2.272 -2.148 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.062 -2.875 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.647 -2.959 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.139 -0.738 2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.559 0.202 3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.818 -0.211 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.503 -5.150 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.757 -4.486 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.148 -4.401 3.484 1.00 0.00 H new ATOM 877 N LYS A 60 3.036 -2.903 6.345 1.00 0.00 N ATOM 878 CA LYS A 60 2.853 -3.862 7.421 1.00 0.00 C ATOM 879 C LYS A 60 1.416 -4.387 7.391 1.00 0.00 C ATOM 880 O LYS A 60 0.499 -3.723 7.873 1.00 0.00 O ATOM 881 CB LYS A 60 3.255 -3.245 8.762 1.00 0.00 C ATOM 882 CG LYS A 60 2.691 -1.831 8.906 1.00 0.00 C ATOM 883 CD LYS A 60 2.635 -1.410 10.376 1.00 0.00 C ATOM 884 CE LYS A 60 2.709 0.112 10.514 1.00 0.00 C ATOM 885 NZ LYS A 60 2.014 0.556 11.742 1.00 0.00 N ATOM 0 H LYS A 60 2.182 -2.437 6.039 1.00 0.00 H new ATOM 0 HA LYS A 60 3.509 -4.721 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.891 -3.870 9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.342 -3.217 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.310 -1.130 8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.691 -1.789 8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.713 -1.775 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.460 -1.869 10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.751 0.430 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.257 0.584 9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.850 1.582 11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.102 0.063 11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.601 0.336 12.572 1.00 0.00 H new ATOM 899 N GLU A 61 1.265 -5.573 6.821 1.00 0.00 N ATOM 900 CA GLU A 61 -0.045 -6.195 6.723 1.00 0.00 C ATOM 901 C GLU A 61 -0.843 -5.957 8.006 1.00 0.00 C ATOM 902 O GLU A 61 -0.268 -5.681 9.057 1.00 0.00 O ATOM 903 CB GLU A 61 0.079 -7.690 6.423 1.00 0.00 C ATOM 904 CG GLU A 61 0.946 -7.932 5.186 1.00 0.00 C ATOM 905 CD GLU A 61 2.094 -8.894 5.501 1.00 0.00 C ATOM 906 OE1 GLU A 61 1.838 -10.116 5.456 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.201 -8.384 5.778 1.00 0.00 O ATOM 0 H GLU A 61 2.028 -6.120 6.422 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.583 -5.735 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.514 -8.202 7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.912 -8.116 6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.334 -8.342 4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.349 -6.984 4.828 1.00 0.00 H new ATOM 914 N LEU A 62 -2.157 -6.072 7.878 1.00 0.00 N ATOM 915 CA LEU A 62 -3.040 -5.873 9.014 1.00 0.00 C ATOM 916 C LEU A 62 -4.263 -6.782 8.870 1.00 0.00 C ATOM 917 O LEU A 62 -5.239 -6.415 8.218 1.00 0.00 O ATOM 918 CB LEU A 62 -3.390 -4.391 9.168 1.00 0.00 C ATOM 919 CG LEU A 62 -2.239 -3.405 8.958 1.00 0.00 C ATOM 920 CD1 LEU A 62 -2.768 -2.001 8.658 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.284 -3.415 10.153 1.00 0.00 C ATOM 0 H LEU A 62 -2.631 -6.301 7.004 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.539 -6.156 9.940 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.183 -4.150 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.797 -4.236 10.167 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.668 -3.727 8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.930 -1.320 8.513 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.375 -2.027 7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.376 -1.655 9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.475 -2.706 9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.827 -3.132 11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.869 -4.415 10.279 1.00 0.00 H new