USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=6 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 -46:sc= 0.158 USER MOD Single : A 11 GLN : amide:sc= 0.35 X(o=0.35,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0079 USER MOD Single : A 16 TYR OH : rot 40:sc= -1.75 USER MOD Single : A 19 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.7!) USER MOD Single : A 20 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.086) 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 135:sc= -3.62! USER MOD Single : A 53 MET CE :methyl -120:sc= 0 (180deg=-0.964) USER MOD Single : A 56 SER OG : rot 173:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -7.486 -6.060 0.589 1.00 0.00 N ATOM 67 CA ARG A 8 -6.583 -6.040 1.727 1.00 0.00 C ATOM 68 C ARG A 8 -6.225 -4.599 2.096 1.00 0.00 C ATOM 69 O ARG A 8 -6.531 -3.669 1.351 1.00 0.00 O ATOM 70 CB ARG A 8 -5.300 -6.816 1.426 1.00 0.00 C ATOM 71 CG ARG A 8 -5.426 -8.276 1.867 1.00 0.00 C ATOM 72 CD ARG A 8 -4.327 -8.643 2.868 1.00 0.00 C ATOM 73 NE ARG A 8 -4.805 -9.711 3.774 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.155 -10.105 4.878 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.997 -9.523 5.218 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.663 -11.082 5.641 1.00 0.00 N ATOM 0 HA ARG A 8 -7.094 -6.516 2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.086 -6.772 0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.459 -6.349 1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.404 -8.440 2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.363 -8.929 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.436 -8.977 2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.042 -7.764 3.447 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.683 -10.176 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.610 -8.780 4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.503 -9.823 6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.544 -11.526 5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.169 -11.382 6.481 1.00 0.00 H new ATOM 90 N ARG A 9 -5.581 -4.459 3.245 1.00 0.00 N ATOM 91 CA ARG A 9 -5.178 -3.146 3.722 1.00 0.00 C ATOM 92 C ARG A 9 -3.838 -3.237 4.455 1.00 0.00 C ATOM 93 O ARG A 9 -3.544 -4.244 5.097 1.00 0.00 O ATOM 94 CB ARG A 9 -6.228 -2.556 4.665 1.00 0.00 C ATOM 95 CG ARG A 9 -7.099 -1.527 3.941 1.00 0.00 C ATOM 96 CD ARG A 9 -8.145 -0.932 4.886 1.00 0.00 C ATOM 97 NE ARG A 9 -9.488 -1.452 4.547 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.570 -1.299 5.321 1.00 0.00 C ATOM 99 NH1 ARG A 9 -10.475 -0.640 6.484 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.749 -1.805 4.933 1.00 0.00 N ATOM 0 H ARG A 9 -5.328 -5.232 3.860 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.079 -2.494 2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.855 -3.354 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.735 -2.086 5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.471 -0.731 3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.596 -1.998 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.899 -1.182 5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.138 0.155 4.811 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.597 -1.959 3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.578 -0.255 6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.300 -0.524 7.073 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.822 -2.307 4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.573 -1.688 5.523 1.00 0.00 H new ATOM 114 N CYS A 10 -3.061 -2.170 4.334 1.00 0.00 N ATOM 115 CA CYS A 10 -1.759 -2.116 4.977 1.00 0.00 C ATOM 116 C CYS A 10 -1.587 -0.729 5.598 1.00 0.00 C ATOM 117 O CYS A 10 -2.302 0.207 5.243 1.00 0.00 O ATOM 118 CB CYS A 10 -0.631 -2.447 3.998 1.00 0.00 C ATOM 119 SG CYS A 10 -0.592 -1.213 2.647 1.00 0.00 S ATOM 0 H CYS A 10 -3.308 -1.337 3.800 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.706 -2.872 5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.325 -2.456 4.521 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.778 -3.445 3.586 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.800 -1.007 2.212 1.00 0.00 H new ATOM 125 N GLN A 11 -0.634 -0.640 6.514 1.00 0.00 N ATOM 126 CA GLN A 11 -0.359 0.618 7.188 1.00 0.00 C ATOM 127 C GLN A 11 1.055 1.100 6.855 1.00 0.00 C ATOM 128 O GLN A 11 2.014 0.736 7.534 1.00 0.00 O ATOM 129 CB GLN A 11 -0.551 0.484 8.700 1.00 0.00 C ATOM 130 CG GLN A 11 -0.507 1.852 9.382 1.00 0.00 C ATOM 131 CD GLN A 11 -1.764 2.088 10.221 1.00 0.00 C ATOM 132 OE1 GLN A 11 -2.051 1.377 11.170 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.496 3.123 9.819 1.00 0.00 N ATOM 0 H GLN A 11 -0.043 -1.418 6.805 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.070 1.363 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.506 0.001 8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.227 -0.158 9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.376 1.917 10.018 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.416 2.635 8.629 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.198 3.677 9.016 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.355 3.363 10.314 1.00 0.00 H new ATOM 142 N VAL A 12 1.138 1.912 5.811 1.00 0.00 N ATOM 143 CA VAL A 12 2.418 2.448 5.381 1.00 0.00 C ATOM 144 C VAL A 12 3.268 2.778 6.610 1.00 0.00 C ATOM 145 O VAL A 12 2.907 3.647 7.402 1.00 0.00 O ATOM 146 CB VAL A 12 2.200 3.653 4.464 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.510 4.406 4.226 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.564 3.226 3.139 1.00 0.00 C ATOM 0 H VAL A 12 0.340 2.211 5.251 1.00 0.00 H new ATOM 0 HA VAL A 12 2.965 1.707 4.797 1.00 0.00 H new ATOM 0 HB VAL A 12 1.510 4.333 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.326 5.258 3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.905 4.759 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.234 3.738 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.420 4.101 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.219 2.516 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.600 2.756 3.333 1.00 0.00 H new ATOM 158 N ALA A 13 4.379 2.067 6.730 1.00 0.00 N ATOM 159 CA ALA A 13 5.283 2.274 7.849 1.00 0.00 C ATOM 160 C ALA A 13 6.449 3.156 7.401 1.00 0.00 C ATOM 161 O ALA A 13 7.182 3.692 8.231 1.00 0.00 O ATOM 162 CB ALA A 13 5.749 0.919 8.386 1.00 0.00 C ATOM 0 H ALA A 13 4.674 1.347 6.071 1.00 0.00 H new ATOM 0 HA ALA A 13 4.774 2.790 8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.427 1.074 9.225 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.885 0.343 8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.267 0.374 7.597 1.00 0.00 H new ATOM 168 N PHE A 14 6.586 3.279 6.089 1.00 0.00 N ATOM 169 CA PHE A 14 7.652 4.087 5.520 1.00 0.00 C ATOM 170 C PHE A 14 7.118 4.997 4.411 1.00 0.00 C ATOM 171 O PHE A 14 6.519 4.521 3.448 1.00 0.00 O ATOM 172 CB PHE A 14 8.676 3.121 4.922 1.00 0.00 C ATOM 173 CG PHE A 14 8.945 1.887 5.785 1.00 0.00 C ATOM 174 CD1 PHE A 14 7.982 0.938 5.934 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.147 1.738 6.403 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.231 -0.208 6.735 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.397 0.592 7.204 1.00 0.00 C ATOM 178 CZ PHE A 14 9.434 -0.356 7.353 1.00 0.00 C ATOM 0 H PHE A 14 5.977 2.833 5.403 1.00 0.00 H new ATOM 0 HA PHE A 14 8.092 4.719 6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.326 2.797 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.614 3.653 4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.027 1.056 5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.912 2.491 6.285 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.466 -0.961 6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.352 0.474 7.695 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.624 -1.227 7.962 1.00 0.00 H new ATOM 188 N SER A 15 7.354 6.289 4.585 1.00 0.00 N ATOM 189 CA SER A 15 6.904 7.269 3.611 1.00 0.00 C ATOM 190 C SER A 15 7.675 7.096 2.301 1.00 0.00 C ATOM 191 O SER A 15 8.903 7.029 2.303 1.00 0.00 O ATOM 192 CB SER A 15 7.076 8.693 4.144 1.00 0.00 C ATOM 193 OG SER A 15 8.346 8.883 4.762 1.00 0.00 O ATOM 0 H SER A 15 7.851 6.680 5.386 1.00 0.00 H new ATOM 0 HA SER A 15 5.843 7.105 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.962 9.403 3.325 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.287 8.908 4.864 1.00 0.00 H new ATOM 0 HG SER A 15 8.417 9.805 5.087 1.00 0.00 H new ATOM 199 N TYR A 16 6.921 7.029 1.213 1.00 0.00 N ATOM 200 CA TYR A 16 7.518 6.865 -0.102 1.00 0.00 C ATOM 201 C TYR A 16 7.022 7.943 -1.067 1.00 0.00 C ATOM 202 O TYR A 16 5.818 8.090 -1.274 1.00 0.00 O ATOM 203 CB TYR A 16 7.058 5.495 -0.605 1.00 0.00 C ATOM 204 CG TYR A 16 7.475 5.190 -2.046 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.745 5.702 -3.099 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.582 4.403 -2.291 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.137 5.415 -4.454 1.00 0.00 C ATOM 208 CE2 TYR A 16 8.974 4.115 -3.647 1.00 0.00 C ATOM 209 CZ TYR A 16 8.233 4.636 -4.661 1.00 0.00 C ATOM 210 OH TYR A 16 8.603 4.365 -5.941 1.00 0.00 O ATOM 0 H TYR A 16 5.903 7.085 1.215 1.00 0.00 H new ATOM 0 HA TYR A 16 8.603 6.946 -0.044 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.462 4.724 0.051 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.972 5.438 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.879 6.318 -2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.154 4.003 -1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.574 5.809 -5.287 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.837 3.499 -3.853 1.00 0.00 H new ATOM 0 HH TYR A 16 8.491 5.168 -6.491 1.00 0.00 H new ATOM 220 N LEU A 17 7.974 8.670 -1.633 1.00 0.00 N ATOM 221 CA LEU A 17 7.649 9.730 -2.572 1.00 0.00 C ATOM 222 C LEU A 17 7.722 9.182 -3.998 1.00 0.00 C ATOM 223 O LEU A 17 8.717 8.570 -4.382 1.00 0.00 O ATOM 224 CB LEU A 17 8.544 10.948 -2.335 1.00 0.00 C ATOM 225 CG LEU A 17 8.402 11.630 -0.972 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.132 12.482 -0.916 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.455 10.605 0.162 1.00 0.00 C ATOM 0 H LEU A 17 8.971 8.546 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 17 6.628 10.078 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.582 10.641 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.335 11.684 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 17 9.248 12.303 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.055 12.956 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.175 13.250 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.261 11.848 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.352 11.116 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.642 9.889 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.409 10.079 0.133 1.00 0.00 H new ATOM 239 N PRO A 18 6.625 9.428 -4.765 1.00 0.00 N ATOM 240 CA PRO A 18 6.555 8.966 -6.140 1.00 0.00 C ATOM 241 C PRO A 18 7.430 9.828 -7.053 1.00 0.00 C ATOM 242 O PRO A 18 7.148 11.008 -7.255 1.00 0.00 O ATOM 243 CB PRO A 18 5.080 9.026 -6.501 1.00 0.00 C ATOM 244 CG PRO A 18 4.439 9.953 -5.481 1.00 0.00 C ATOM 245 CD PRO A 18 5.428 10.149 -4.343 1.00 0.00 C ATOM 0 HA PRO A 18 6.940 7.954 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.941 9.404 -7.514 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.629 8.035 -6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.189 10.910 -5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.508 9.525 -5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.639 11.206 -4.179 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.037 9.753 -3.406 1.00 0.00 H new ATOM 253 N GLN A 19 8.473 9.205 -7.581 1.00 0.00 N ATOM 254 CA GLN A 19 9.390 9.900 -8.468 1.00 0.00 C ATOM 255 C GLN A 19 8.807 9.978 -9.880 1.00 0.00 C ATOM 256 O GLN A 19 9.483 10.411 -10.812 1.00 0.00 O ATOM 257 CB GLN A 19 10.762 9.223 -8.478 1.00 0.00 C ATOM 258 CG GLN A 19 11.162 8.773 -7.071 1.00 0.00 C ATOM 259 CD GLN A 19 12.520 9.358 -6.674 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.328 9.738 -7.505 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.724 9.408 -5.361 1.00 0.00 N ATOM 0 H GLN A 19 8.704 8.226 -7.411 1.00 0.00 H new ATOM 0 HA GLN A 19 9.525 10.915 -8.095 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.742 8.363 -9.147 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.509 9.913 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.403 9.088 -6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.205 7.685 -7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.005 9.073 -4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.600 9.782 -4.995 1.00 0.00 H new ATOM 270 N ASN A 20 7.557 9.553 -9.994 1.00 0.00 N ATOM 271 CA ASN A 20 6.875 9.569 -11.276 1.00 0.00 C ATOM 272 C ASN A 20 5.464 10.130 -11.092 1.00 0.00 C ATOM 273 O ASN A 20 5.115 10.598 -10.009 1.00 0.00 O ATOM 274 CB ASN A 20 6.751 8.157 -11.852 1.00 0.00 C ATOM 275 CG ASN A 20 8.099 7.434 -11.827 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.845 7.423 -12.792 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.368 6.832 -10.672 1.00 0.00 N ATOM 0 H ASN A 20 6.999 9.195 -9.219 1.00 0.00 H new ATOM 0 HA ASN A 20 7.457 10.187 -11.959 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.019 7.589 -11.278 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.381 8.209 -12.876 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.243 6.322 -10.555 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.699 6.881 -9.904 1.00 0.00 H new ATOM 284 N ASP A 21 4.690 10.064 -12.165 1.00 0.00 N ATOM 285 CA ASP A 21 3.325 10.560 -12.135 1.00 0.00 C ATOM 286 C ASP A 21 2.356 9.383 -12.269 1.00 0.00 C ATOM 287 O ASP A 21 1.248 9.541 -12.779 1.00 0.00 O ATOM 288 CB ASP A 21 3.062 11.522 -13.295 1.00 0.00 C ATOM 289 CG ASP A 21 2.129 12.690 -12.969 1.00 0.00 C ATOM 290 OD1 ASP A 21 1.445 12.595 -11.927 1.00 0.00 O ATOM 291 OD2 ASP A 21 2.121 13.651 -13.768 1.00 0.00 O ATOM 0 H ASP A 21 4.982 9.674 -13.061 1.00 0.00 H new ATOM 0 HA ASP A 21 3.178 11.085 -11.191 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.016 11.923 -13.637 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.637 10.958 -14.125 1.00 0.00 H new ATOM 296 N ASP A 22 2.809 8.229 -11.801 1.00 0.00 N ATOM 297 CA ASP A 22 1.997 7.026 -11.862 1.00 0.00 C ATOM 298 C ASP A 22 2.297 6.151 -10.643 1.00 0.00 C ATOM 299 O ASP A 22 2.009 4.955 -10.647 1.00 0.00 O ATOM 300 CB ASP A 22 2.312 6.212 -13.118 1.00 0.00 C ATOM 301 CG ASP A 22 1.100 5.559 -13.786 1.00 0.00 C ATOM 302 OD1 ASP A 22 0.365 6.299 -14.475 1.00 0.00 O ATOM 303 OD2 ASP A 22 0.936 4.335 -13.593 1.00 0.00 O ATOM 0 H ASP A 22 3.728 8.102 -11.378 1.00 0.00 H new ATOM 0 HA ASP A 22 0.949 7.327 -11.881 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.800 6.864 -13.843 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.028 5.433 -12.858 1.00 0.00 H new ATOM 308 N GLU A 23 2.873 6.781 -9.630 1.00 0.00 N ATOM 309 CA GLU A 23 3.216 6.074 -8.407 1.00 0.00 C ATOM 310 C GLU A 23 2.374 6.593 -7.240 1.00 0.00 C ATOM 311 O GLU A 23 1.760 7.655 -7.337 1.00 0.00 O ATOM 312 CB GLU A 23 4.710 6.198 -8.103 1.00 0.00 C ATOM 313 CG GLU A 23 5.493 5.035 -8.716 1.00 0.00 C ATOM 314 CD GLU A 23 6.627 4.589 -7.790 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.304 3.963 -6.758 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.791 4.884 -8.137 1.00 0.00 O ATOM 0 H GLU A 23 3.111 7.773 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 23 2.994 5.016 -8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.087 7.142 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.865 6.217 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.821 4.198 -8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.903 5.336 -9.680 1.00 0.00 H new ATOM 323 N LEU A 24 2.372 5.820 -6.164 1.00 0.00 N ATOM 324 CA LEU A 24 1.615 6.189 -4.980 1.00 0.00 C ATOM 325 C LEU A 24 2.556 6.831 -3.958 1.00 0.00 C ATOM 326 O LEU A 24 3.733 6.482 -3.888 1.00 0.00 O ATOM 327 CB LEU A 24 0.849 4.982 -4.436 1.00 0.00 C ATOM 328 CG LEU A 24 -0.552 4.762 -5.011 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.342 3.762 -4.163 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.294 6.090 -5.170 1.00 0.00 C ATOM 0 H LEU A 24 2.882 4.940 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 24 0.858 6.933 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.442 4.086 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.764 5.088 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.449 4.330 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.334 3.624 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.818 2.806 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.438 4.143 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.287 5.905 -5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.388 6.573 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.737 6.739 -5.846 1.00 0.00 H new ATOM 342 N GLU A 25 2.001 7.759 -3.192 1.00 0.00 N ATOM 343 CA GLU A 25 2.776 8.453 -2.177 1.00 0.00 C ATOM 344 C GLU A 25 2.486 7.866 -0.794 1.00 0.00 C ATOM 345 O GLU A 25 1.486 8.211 -0.167 1.00 0.00 O ATOM 346 CB GLU A 25 2.493 9.956 -2.205 1.00 0.00 C ATOM 347 CG GLU A 25 3.274 10.681 -1.107 1.00 0.00 C ATOM 348 CD GLU A 25 2.908 12.166 -1.063 1.00 0.00 C ATOM 349 OE1 GLU A 25 2.852 12.769 -2.157 1.00 0.00 O ATOM 350 OE2 GLU A 25 2.693 12.665 0.063 1.00 0.00 O ATOM 0 H GLU A 25 1.024 8.046 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 25 3.834 8.311 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.765 10.363 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.425 10.131 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.062 10.222 -0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.344 10.572 -1.284 1.00 0.00 H new ATOM 357 N LEU A 26 3.379 6.989 -0.360 1.00 0.00 N ATOM 358 CA LEU A 26 3.232 6.351 0.937 1.00 0.00 C ATOM 359 C LEU A 26 3.591 7.353 2.037 1.00 0.00 C ATOM 360 O LEU A 26 4.611 8.034 1.952 1.00 0.00 O ATOM 361 CB LEU A 26 4.047 5.058 0.994 1.00 0.00 C ATOM 362 CG LEU A 26 3.981 4.168 -0.250 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.049 3.074 -0.199 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.576 3.590 -0.436 1.00 0.00 C ATOM 0 H LEU A 26 4.207 6.705 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 26 2.196 6.055 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.090 5.317 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.709 4.476 1.851 1.00 0.00 H new ATOM 0 HG LEU A 26 4.194 4.785 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.980 2.456 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.037 3.532 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.892 2.453 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.556 2.962 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.310 2.992 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.860 4.404 -0.550 1.00 0.00 H new ATOM 376 N LYS A 27 2.732 7.409 3.044 1.00 0.00 N ATOM 377 CA LYS A 27 2.946 8.316 4.160 1.00 0.00 C ATOM 378 C LYS A 27 2.660 7.581 5.471 1.00 0.00 C ATOM 379 O LYS A 27 1.529 7.166 5.719 1.00 0.00 O ATOM 380 CB LYS A 27 2.122 9.593 3.978 1.00 0.00 C ATOM 381 CG LYS A 27 2.993 10.736 3.452 1.00 0.00 C ATOM 382 CD LYS A 27 2.299 12.086 3.644 1.00 0.00 C ATOM 383 CE LYS A 27 2.783 12.775 4.922 1.00 0.00 C ATOM 384 NZ LYS A 27 1.757 13.715 5.425 1.00 0.00 N ATOM 0 H LYS A 27 1.887 6.842 3.111 1.00 0.00 H new ATOM 0 HA LYS A 27 3.987 8.638 4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.303 9.406 3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.674 9.880 4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.951 10.738 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.206 10.579 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.497 12.726 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.220 11.941 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.004 12.027 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.711 13.312 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.102 14.174 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.566 14.439 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.881 13.194 5.634 1.00 0.00 H new ATOM 398 N VAL A 28 3.703 7.444 6.275 1.00 0.00 N ATOM 399 CA VAL A 28 3.578 6.766 7.554 1.00 0.00 C ATOM 400 C VAL A 28 2.181 7.016 8.124 1.00 0.00 C ATOM 401 O VAL A 28 1.863 8.132 8.531 1.00 0.00 O ATOM 402 CB VAL A 28 4.697 7.216 8.496 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.553 6.561 9.871 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.072 6.925 7.892 1.00 0.00 C ATOM 0 H VAL A 28 4.639 7.791 6.066 1.00 0.00 H new ATOM 0 HA VAL A 28 3.690 5.689 7.428 1.00 0.00 H new ATOM 0 HB VAL A 28 4.610 8.294 8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.361 6.898 10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.595 6.841 10.309 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.601 5.477 9.765 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.849 7.254 8.581 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.173 5.854 7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.175 7.459 6.947 1.00 0.00 H new ATOM 414 N GLY A 29 1.383 5.958 8.135 1.00 0.00 N ATOM 415 CA GLY A 29 0.027 6.048 8.649 1.00 0.00 C ATOM 416 C GLY A 29 -0.997 5.807 7.538 1.00 0.00 C ATOM 417 O GLY A 29 -2.107 5.347 7.801 1.00 0.00 O ATOM 0 H GLY A 29 1.650 5.034 7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.114 5.315 9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.134 7.032 9.090 1.00 0.00 H new ATOM 421 N ASP A 30 -0.588 6.129 6.319 1.00 0.00 N ATOM 422 CA ASP A 30 -1.455 5.953 5.167 1.00 0.00 C ATOM 423 C ASP A 30 -1.910 4.494 5.095 1.00 0.00 C ATOM 424 O ASP A 30 -1.104 3.580 5.264 1.00 0.00 O ATOM 425 CB ASP A 30 -0.719 6.284 3.867 1.00 0.00 C ATOM 426 CG ASP A 30 -0.401 7.767 3.664 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.226 8.456 4.692 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.342 8.177 2.485 1.00 0.00 O ATOM 0 H ASP A 30 0.333 6.511 6.105 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.306 6.625 5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.214 5.721 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.322 5.939 3.027 1.00 0.00 H new ATOM 433 N ILE A 31 -3.199 4.321 4.843 1.00 0.00 N ATOM 434 CA ILE A 31 -3.771 2.989 4.746 1.00 0.00 C ATOM 435 C ILE A 31 -4.112 2.690 3.285 1.00 0.00 C ATOM 436 O ILE A 31 -5.165 3.095 2.794 1.00 0.00 O ATOM 437 CB ILE A 31 -4.961 2.845 5.697 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.535 3.085 7.147 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.646 1.489 5.518 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.678 2.767 8.114 1.00 0.00 C ATOM 0 H ILE A 31 -3.864 5.082 4.703 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.046 2.240 5.065 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.694 3.611 5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.671 2.464 7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.226 4.123 7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.488 1.413 6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.005 1.395 4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.934 0.691 5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.349 2.946 9.138 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.532 3.406 7.890 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.968 1.722 8.003 1.00 0.00 H new ATOM 452 N ILE A 32 -3.202 1.983 2.631 1.00 0.00 N ATOM 453 CA ILE A 32 -3.394 1.625 1.235 1.00 0.00 C ATOM 454 C ILE A 32 -4.237 0.351 1.151 1.00 0.00 C ATOM 455 O ILE A 32 -3.766 -0.732 1.494 1.00 0.00 O ATOM 456 CB ILE A 32 -2.046 1.519 0.519 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.659 2.854 -0.121 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.054 0.376 -0.498 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.142 3.056 -0.092 1.00 0.00 C ATOM 0 H ILE A 32 -2.330 1.648 3.041 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.945 2.407 0.713 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.282 1.284 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.014 2.884 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.149 3.671 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.084 0.322 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.252 -0.565 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.831 0.556 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.107 4.012 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.206 3.050 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.343 2.250 -0.643 1.00 0.00 H new ATOM 471 N GLU A 33 -5.468 0.524 0.694 1.00 0.00 N ATOM 472 CA GLU A 33 -6.381 -0.598 0.560 1.00 0.00 C ATOM 473 C GLU A 33 -5.882 -1.563 -0.517 1.00 0.00 C ATOM 474 O GLU A 33 -6.340 -1.517 -1.658 1.00 0.00 O ATOM 475 CB GLU A 33 -7.800 -0.117 0.250 1.00 0.00 C ATOM 476 CG GLU A 33 -8.613 0.058 1.535 1.00 0.00 C ATOM 477 CD GLU A 33 -9.447 1.340 1.485 1.00 0.00 C ATOM 478 OE1 GLU A 33 -8.879 2.400 1.826 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.633 1.230 1.107 1.00 0.00 O ATOM 0 H GLU A 33 -5.855 1.425 0.412 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.413 -1.130 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.757 0.829 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.296 -0.834 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.269 -0.802 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.942 0.090 2.393 1.00 0.00 H new ATOM 486 N VAL A 34 -4.950 -2.416 -0.117 1.00 0.00 N ATOM 487 CA VAL A 34 -4.383 -3.390 -1.034 1.00 0.00 C ATOM 488 C VAL A 34 -5.509 -4.040 -1.840 1.00 0.00 C ATOM 489 O VAL A 34 -6.321 -4.784 -1.292 1.00 0.00 O ATOM 490 CB VAL A 34 -3.538 -4.405 -0.262 1.00 0.00 C ATOM 491 CG1 VAL A 34 -2.926 -5.441 -1.207 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.454 -3.704 0.560 1.00 0.00 C ATOM 0 H VAL A 34 -4.573 -2.453 0.830 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.714 -2.903 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.196 -4.931 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.330 -6.150 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.722 -5.973 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.289 -4.938 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.868 -4.448 1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.801 -3.140 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.921 -3.024 1.273 1.00 0.00 H new ATOM 502 N VAL A 35 -5.522 -3.736 -3.130 1.00 0.00 N ATOM 503 CA VAL A 35 -6.536 -4.281 -4.017 1.00 0.00 C ATOM 504 C VAL A 35 -5.969 -5.503 -4.742 1.00 0.00 C ATOM 505 O VAL A 35 -6.638 -6.529 -4.854 1.00 0.00 O ATOM 506 CB VAL A 35 -7.032 -3.195 -4.974 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.601 -2.003 -4.203 1.00 0.00 C ATOM 508 CG2 VAL A 35 -5.918 -2.752 -5.925 1.00 0.00 C ATOM 0 H VAL A 35 -4.847 -3.119 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.403 -4.614 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.836 -3.620 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.946 -1.246 -4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.437 -2.334 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.826 -1.579 -3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.297 -1.980 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.083 -2.354 -5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.579 -3.606 -6.511 1.00 0.00 H new ATOM 518 N GLY A 36 -4.740 -5.354 -5.215 1.00 0.00 N ATOM 519 CA GLY A 36 -4.075 -6.433 -5.925 1.00 0.00 C ATOM 520 C GLY A 36 -2.556 -6.343 -5.762 1.00 0.00 C ATOM 521 O GLY A 36 -2.065 -5.905 -4.723 1.00 0.00 O ATOM 0 H GLY A 36 -4.187 -4.502 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.428 -7.393 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.334 -6.391 -6.983 1.00 0.00 H new ATOM 525 N GLU A 37 -1.855 -6.765 -6.804 1.00 0.00 N ATOM 526 CA GLU A 37 -0.403 -6.738 -6.789 1.00 0.00 C ATOM 527 C GLU A 37 0.139 -6.557 -8.208 1.00 0.00 C ATOM 528 O GLU A 37 -0.360 -7.169 -9.150 1.00 0.00 O ATOM 529 CB GLU A 37 0.163 -8.005 -6.144 1.00 0.00 C ATOM 530 CG GLU A 37 1.623 -8.221 -6.546 1.00 0.00 C ATOM 531 CD GLU A 37 1.731 -9.207 -7.711 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.045 -10.249 -7.637 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.496 -8.896 -8.649 1.00 0.00 O ATOM 0 H GLU A 37 -2.266 -7.128 -7.664 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.081 -5.888 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.088 -7.929 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.432 -8.867 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.071 -7.268 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.187 -8.598 -5.693 1.00 0.00 H new ATOM 540 N VAL A 38 1.155 -5.712 -8.316 1.00 0.00 N ATOM 541 CA VAL A 38 1.770 -5.443 -9.604 1.00 0.00 C ATOM 542 C VAL A 38 2.797 -6.534 -9.912 1.00 0.00 C ATOM 543 O VAL A 38 2.571 -7.377 -10.779 1.00 0.00 O ATOM 544 CB VAL A 38 2.372 -4.036 -9.612 1.00 0.00 C ATOM 545 CG1 VAL A 38 2.774 -3.620 -11.029 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.406 -3.023 -8.996 1.00 0.00 C ATOM 0 H VAL A 38 1.567 -5.205 -7.532 1.00 0.00 H new ATOM 0 HA VAL A 38 1.022 -5.467 -10.397 1.00 0.00 H new ATOM 0 HB VAL A 38 3.274 -4.054 -9.000 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.199 -2.616 -11.007 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.515 -4.319 -11.417 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.895 -3.628 -11.674 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.858 -2.031 -9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.479 -3.009 -9.569 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.191 -3.305 -7.965 1.00 0.00 H new ATOM 556 N GLU A 39 3.904 -6.483 -9.186 1.00 0.00 N ATOM 557 CA GLU A 39 4.966 -7.457 -9.371 1.00 0.00 C ATOM 558 C GLU A 39 5.676 -7.727 -8.043 1.00 0.00 C ATOM 559 O GLU A 39 5.398 -7.069 -7.041 1.00 0.00 O ATOM 560 CB GLU A 39 5.959 -6.990 -10.438 1.00 0.00 C ATOM 561 CG GLU A 39 6.583 -5.646 -10.056 1.00 0.00 C ATOM 562 CD GLU A 39 7.672 -5.244 -11.052 1.00 0.00 C ATOM 563 OE1 GLU A 39 8.386 -6.161 -11.513 1.00 0.00 O ATOM 564 OE2 GLU A 39 7.766 -4.029 -11.330 1.00 0.00 O ATOM 0 H GLU A 39 4.089 -5.782 -8.468 1.00 0.00 H new ATOM 0 HA GLU A 39 4.521 -8.389 -9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.743 -7.737 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.451 -6.899 -11.398 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.810 -4.878 -10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.007 -5.710 -9.054 1.00 0.00 H new ATOM 571 N GLU A 40 6.579 -8.696 -8.077 1.00 0.00 N ATOM 572 CA GLU A 40 7.330 -9.062 -6.889 1.00 0.00 C ATOM 573 C GLU A 40 7.944 -7.816 -6.246 1.00 0.00 C ATOM 574 O GLU A 40 8.756 -7.129 -6.864 1.00 0.00 O ATOM 575 CB GLU A 40 8.408 -10.097 -7.218 1.00 0.00 C ATOM 576 CG GLU A 40 8.868 -10.830 -5.956 1.00 0.00 C ATOM 577 CD GLU A 40 10.394 -10.837 -5.852 1.00 0.00 C ATOM 578 OE1 GLU A 40 10.991 -9.791 -6.187 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.930 -11.888 -5.439 1.00 0.00 O ATOM 0 H GLU A 40 6.807 -9.239 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 40 6.644 -9.516 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.019 -10.816 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.259 -9.604 -7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.442 -10.348 -5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.496 -11.855 -5.970 1.00 0.00 H new ATOM 586 N GLY A 41 7.534 -7.563 -5.011 1.00 0.00 N ATOM 587 CA GLY A 41 8.033 -6.413 -4.278 1.00 0.00 C ATOM 588 C GLY A 41 7.199 -5.166 -4.578 1.00 0.00 C ATOM 589 O GLY A 41 7.424 -4.108 -3.993 1.00 0.00 O ATOM 0 H GLY A 41 6.862 -8.135 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.010 -6.621 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.074 -6.231 -4.545 1.00 0.00 H new ATOM 593 N TRP A 42 6.252 -5.333 -5.490 1.00 0.00 N ATOM 594 CA TRP A 42 5.383 -4.234 -5.876 1.00 0.00 C ATOM 595 C TRP A 42 3.935 -4.712 -5.755 1.00 0.00 C ATOM 596 O TRP A 42 3.572 -5.750 -6.306 1.00 0.00 O ATOM 597 CB TRP A 42 5.730 -3.726 -7.276 1.00 0.00 C ATOM 598 CG TRP A 42 7.070 -2.992 -7.358 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.294 -3.522 -7.487 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.272 -1.564 -7.311 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.267 -2.543 -7.527 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.626 -1.315 -7.416 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.343 -0.517 -7.183 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.171 -0.026 -7.404 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.904 0.766 -7.173 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.264 1.033 -7.278 1.00 0.00 C ATOM 0 H TRP A 42 6.068 -6.213 -5.973 1.00 0.00 H new ATOM 0 HA TRP A 42 5.524 -3.380 -5.214 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.748 -4.571 -7.964 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.939 -3.056 -7.615 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.494 -4.581 -7.552 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.271 -2.693 -7.621 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.280 -0.689 -7.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.234 0.143 -7.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.233 1.607 -7.077 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.619 2.053 -7.262 1.00 0.00 H new ATOM 617 N TRP A 43 3.146 -3.932 -5.030 1.00 0.00 N ATOM 618 CA TRP A 43 1.746 -4.263 -4.830 1.00 0.00 C ATOM 619 C TRP A 43 0.903 -3.135 -5.427 1.00 0.00 C ATOM 620 O TRP A 43 1.438 -2.104 -5.833 1.00 0.00 O ATOM 621 CB TRP A 43 1.447 -4.513 -3.350 1.00 0.00 C ATOM 622 CG TRP A 43 1.938 -5.868 -2.836 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.491 -6.866 -3.539 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.896 -6.336 -1.471 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.808 -7.939 -2.730 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.435 -7.606 -1.433 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.420 -5.707 -0.308 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.548 -8.356 -0.256 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.540 -6.470 0.860 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.079 -7.749 0.915 1.00 0.00 C ATOM 0 H TRP A 43 3.450 -3.072 -4.574 1.00 0.00 H new ATOM 0 HA TRP A 43 1.494 -5.193 -5.339 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.909 -3.723 -2.758 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.371 -4.444 -3.191 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.667 -6.835 -4.604 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.237 -8.815 -3.029 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.995 -4.714 -0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.974 -9.349 -0.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.189 -6.033 1.783 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.136 -8.273 1.858 1.00 0.00 H new ATOM 641 N GLU A 44 -0.401 -3.368 -5.464 1.00 0.00 N ATOM 642 CA GLU A 44 -1.322 -2.384 -6.005 1.00 0.00 C ATOM 643 C GLU A 44 -2.478 -2.146 -5.031 1.00 0.00 C ATOM 644 O GLU A 44 -3.182 -3.083 -4.657 1.00 0.00 O ATOM 645 CB GLU A 44 -1.843 -2.817 -7.377 1.00 0.00 C ATOM 646 CG GLU A 44 -2.272 -1.606 -8.208 1.00 0.00 C ATOM 647 CD GLU A 44 -1.723 -1.696 -9.633 1.00 0.00 C ATOM 648 OE1 GLU A 44 -2.210 -2.577 -10.374 1.00 0.00 O ATOM 649 OE2 GLU A 44 -0.829 -0.881 -9.949 1.00 0.00 O ATOM 0 H GLU A 44 -0.841 -4.224 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.784 -1.445 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.067 -3.370 -7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.688 -3.494 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.360 -1.547 -8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.916 -0.691 -7.734 1.00 0.00 H new ATOM 656 N GLY A 45 -2.637 -0.888 -4.647 1.00 0.00 N ATOM 657 CA GLY A 45 -3.694 -0.515 -3.723 1.00 0.00 C ATOM 658 C GLY A 45 -4.216 0.891 -4.026 1.00 0.00 C ATOM 659 O GLY A 45 -3.946 1.441 -5.092 1.00 0.00 O ATOM 0 H GLY A 45 -2.051 -0.114 -4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.511 -1.233 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.319 -0.555 -2.700 1.00 0.00 H new ATOM 663 N VAL A 46 -4.955 1.432 -3.069 1.00 0.00 N ATOM 664 CA VAL A 46 -5.518 2.763 -3.219 1.00 0.00 C ATOM 665 C VAL A 46 -5.074 3.636 -2.043 1.00 0.00 C ATOM 666 O VAL A 46 -5.074 3.187 -0.898 1.00 0.00 O ATOM 667 CB VAL A 46 -7.039 2.676 -3.359 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.700 4.008 -2.998 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.435 2.232 -4.769 1.00 0.00 C ATOM 0 H VAL A 46 -5.177 0.972 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.148 3.233 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.398 1.923 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.781 3.919 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.458 4.266 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.332 4.789 -3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.521 2.178 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.058 2.951 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.008 1.250 -4.975 1.00 0.00 H new ATOM 679 N LEU A 47 -4.708 4.867 -2.366 1.00 0.00 N ATOM 680 CA LEU A 47 -4.263 5.807 -1.351 1.00 0.00 C ATOM 681 C LEU A 47 -5.266 6.958 -1.254 1.00 0.00 C ATOM 682 O LEU A 47 -5.109 7.981 -1.919 1.00 0.00 O ATOM 683 CB LEU A 47 -2.830 6.262 -1.632 1.00 0.00 C ATOM 684 CG LEU A 47 -2.268 7.330 -0.692 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.252 6.833 0.755 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.886 7.795 -1.154 1.00 0.00 C ATOM 0 H LEU A 47 -4.710 5.236 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.233 5.326 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.178 5.389 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.785 6.644 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.927 8.197 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.848 7.611 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.268 6.592 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.629 5.942 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.510 8.554 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.202 6.946 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.960 8.216 -2.157 1.00 0.00 H new ATOM 698 N ASN A 48 -6.275 6.753 -0.420 1.00 0.00 N ATOM 699 CA ASN A 48 -7.303 7.761 -0.227 1.00 0.00 C ATOM 700 C ASN A 48 -8.032 8.000 -1.551 1.00 0.00 C ATOM 701 O ASN A 48 -8.233 9.144 -1.955 1.00 0.00 O ATOM 702 CB ASN A 48 -6.694 9.090 0.224 1.00 0.00 C ATOM 703 CG ASN A 48 -6.667 9.191 1.751 1.00 0.00 C ATOM 704 OD1 ASN A 48 -7.677 9.402 2.402 1.00 0.00 O ATOM 705 ND2 ASN A 48 -5.458 9.031 2.282 1.00 0.00 N ATOM 0 H ASN A 48 -6.402 5.903 0.130 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.989 7.400 0.540 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.681 9.182 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.271 9.917 -0.189 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.334 9.082 3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.655 8.857 1.678 1.00 0.00 H new ATOM 712 N GLY A 49 -8.408 6.902 -2.189 1.00 0.00 N ATOM 713 CA GLY A 49 -9.110 6.977 -3.459 1.00 0.00 C ATOM 714 C GLY A 49 -8.132 6.880 -4.632 1.00 0.00 C ATOM 715 O GLY A 49 -8.481 6.366 -5.694 1.00 0.00 O ATOM 0 H GLY A 49 -8.240 5.955 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.841 6.171 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.663 7.914 -3.518 1.00 0.00 H new ATOM 719 N LYS A 50 -6.928 7.380 -4.401 1.00 0.00 N ATOM 720 CA LYS A 50 -5.898 7.356 -5.425 1.00 0.00 C ATOM 721 C LYS A 50 -5.506 5.905 -5.714 1.00 0.00 C ATOM 722 O LYS A 50 -5.997 4.984 -5.062 1.00 0.00 O ATOM 723 CB LYS A 50 -4.718 8.242 -5.021 1.00 0.00 C ATOM 724 CG LYS A 50 -4.138 8.970 -6.234 1.00 0.00 C ATOM 725 CD LYS A 50 -4.062 10.478 -5.985 1.00 0.00 C ATOM 726 CE LYS A 50 -2.693 11.032 -6.382 1.00 0.00 C ATOM 727 NZ LYS A 50 -2.844 12.170 -7.316 1.00 0.00 N ATOM 0 H LYS A 50 -6.642 7.805 -3.519 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.278 7.777 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.043 8.969 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.944 7.633 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.143 8.583 -6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.756 8.773 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.842 10.984 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.251 10.686 -4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.153 11.354 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.098 10.247 -6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.905 12.534 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.341 11.852 -8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.393 12.925 -6.857 1.00 0.00 H new ATOM 741 N THR A 51 -4.626 5.747 -6.692 1.00 0.00 N ATOM 742 CA THR A 51 -4.163 4.424 -7.075 1.00 0.00 C ATOM 743 C THR A 51 -2.772 4.508 -7.706 1.00 0.00 C ATOM 744 O THR A 51 -2.407 5.533 -8.279 1.00 0.00 O ATOM 745 CB THR A 51 -5.213 3.805 -8.000 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.107 3.137 -7.112 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.641 2.681 -8.867 1.00 0.00 C ATOM 0 H THR A 51 -4.222 6.513 -7.230 1.00 0.00 H new ATOM 0 HA THR A 51 -4.053 3.776 -6.205 1.00 0.00 H new ATOM 0 HB THR A 51 -5.633 4.580 -8.641 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.032 3.332 -7.371 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.428 2.277 -9.504 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.837 3.074 -9.489 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.251 1.890 -8.226 1.00 0.00 H new ATOM 755 N GLY A 52 -2.033 3.415 -7.579 1.00 0.00 N ATOM 756 CA GLY A 52 -0.690 3.352 -8.130 1.00 0.00 C ATOM 757 C GLY A 52 0.090 2.175 -7.540 1.00 0.00 C ATOM 758 O GLY A 52 -0.297 1.622 -6.512 1.00 0.00 O ATOM 0 H GLY A 52 -2.339 2.567 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.742 3.251 -9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.163 4.283 -7.921 1.00 0.00 H new ATOM 762 N MET A 53 1.175 1.827 -8.217 1.00 0.00 N ATOM 763 CA MET A 53 2.012 0.726 -7.773 1.00 0.00 C ATOM 764 C MET A 53 2.964 1.174 -6.662 1.00 0.00 C ATOM 765 O MET A 53 3.639 2.195 -6.792 1.00 0.00 O ATOM 766 CB MET A 53 2.822 0.192 -8.955 1.00 0.00 C ATOM 767 CG MET A 53 3.527 1.330 -9.696 1.00 0.00 C ATOM 768 SD MET A 53 5.254 0.938 -9.917 1.00 0.00 S ATOM 769 CE MET A 53 5.130 -0.310 -11.187 1.00 0.00 C ATOM 0 H MET A 53 1.493 2.288 -9.069 1.00 0.00 H new ATOM 0 HA MET A 53 1.368 -0.059 -7.378 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.560 -0.527 -8.599 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.163 -0.340 -9.641 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.055 1.491 -10.665 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.425 2.259 -9.134 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.553 -1.245 -10.820 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.082 -0.462 -11.446 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.679 0.015 -12.071 1.00 0.00 H new ATOM 779 N PHE A 54 2.989 0.390 -5.595 1.00 0.00 N ATOM 780 CA PHE A 54 3.848 0.693 -4.463 1.00 0.00 C ATOM 781 C PHE A 54 4.605 -0.553 -3.999 1.00 0.00 C ATOM 782 O PHE A 54 4.172 -1.676 -4.251 1.00 0.00 O ATOM 783 CB PHE A 54 2.940 1.174 -3.329 1.00 0.00 C ATOM 784 CG PHE A 54 2.065 0.075 -2.723 1.00 0.00 C ATOM 785 CD1 PHE A 54 2.549 -0.701 -1.716 1.00 0.00 C ATOM 786 CD2 PHE A 54 0.804 -0.126 -3.191 1.00 0.00 C ATOM 787 CE1 PHE A 54 1.737 -1.721 -1.153 1.00 0.00 C ATOM 788 CE2 PHE A 54 -0.007 -1.147 -2.628 1.00 0.00 C ATOM 789 CZ PHE A 54 0.476 -1.922 -1.621 1.00 0.00 C ATOM 0 H PHE A 54 2.428 -0.455 -5.490 1.00 0.00 H new ATOM 0 HA PHE A 54 4.582 1.447 -4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.557 1.608 -2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.297 1.970 -3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.551 -0.541 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.420 0.490 -3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.121 -2.337 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.008 -1.308 -3.000 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.142 -2.697 -1.193 1.00 0.00 H new ATOM 799 N PRO A 55 5.752 -0.306 -3.312 1.00 0.00 N ATOM 800 CA PRO A 55 6.574 -1.395 -2.811 1.00 0.00 C ATOM 801 C PRO A 55 5.935 -2.042 -1.580 1.00 0.00 C ATOM 802 O PRO A 55 5.533 -1.348 -0.648 1.00 0.00 O ATOM 803 CB PRO A 55 7.925 -0.765 -2.517 1.00 0.00 C ATOM 804 CG PRO A 55 7.676 0.732 -2.422 1.00 0.00 C ATOM 805 CD PRO A 55 6.296 1.011 -2.995 1.00 0.00 C ATOM 0 HA PRO A 55 6.677 -2.209 -3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.342 -1.151 -1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.642 -0.992 -3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.733 1.064 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.438 1.282 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.668 1.536 -2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.356 1.639 -3.884 1.00 0.00 H new ATOM 813 N SER A 56 5.862 -3.364 -1.618 1.00 0.00 N ATOM 814 CA SER A 56 5.279 -4.113 -0.518 1.00 0.00 C ATOM 815 C SER A 56 6.341 -4.388 0.549 1.00 0.00 C ATOM 816 O SER A 56 6.084 -5.103 1.517 1.00 0.00 O ATOM 817 CB SER A 56 4.667 -5.427 -1.008 1.00 0.00 C ATOM 818 OG SER A 56 5.664 -6.384 -1.355 1.00 0.00 O ATOM 0 H SER A 56 6.197 -3.936 -2.393 1.00 0.00 H new ATOM 0 HA SER A 56 4.481 -3.513 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.024 -5.839 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.035 -5.232 -1.874 1.00 0.00 H new ATOM 0 HG SER A 56 5.237 -7.243 -1.558 1.00 0.00 H new ATOM 824 N ASN A 57 7.512 -3.807 0.336 1.00 0.00 N ATOM 825 CA ASN A 57 8.615 -3.981 1.266 1.00 0.00 C ATOM 826 C ASN A 57 8.721 -2.743 2.160 1.00 0.00 C ATOM 827 O ASN A 57 9.729 -2.548 2.838 1.00 0.00 O ATOM 828 CB ASN A 57 9.942 -4.143 0.524 1.00 0.00 C ATOM 829 CG ASN A 57 10.185 -5.607 0.148 1.00 0.00 C ATOM 830 OD1 ASN A 57 9.827 -6.067 -0.923 1.00 0.00 O ATOM 831 ND2 ASN A 57 10.812 -6.309 1.088 1.00 0.00 N ATOM 0 H ASN A 57 7.721 -3.215 -0.468 1.00 0.00 H new ATOM 0 HA ASN A 57 8.421 -4.877 1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.937 -3.529 -0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.759 -3.784 1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.021 -7.295 0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.084 -5.861 1.963 1.00 0.00 H new ATOM 838 N PHE A 58 7.668 -1.940 2.132 1.00 0.00 N ATOM 839 CA PHE A 58 7.631 -0.727 2.931 1.00 0.00 C ATOM 840 C PHE A 58 6.254 -0.532 3.568 1.00 0.00 C ATOM 841 O PHE A 58 5.779 0.596 3.696 1.00 0.00 O ATOM 842 CB PHE A 58 7.913 0.442 1.984 1.00 0.00 C ATOM 843 CG PHE A 58 9.398 0.659 1.688 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.242 1.037 2.685 1.00 0.00 C ATOM 845 CD2 PHE A 58 9.874 0.474 0.427 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.620 1.239 2.410 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.252 0.675 0.152 1.00 0.00 C ATOM 848 CZ PHE A 58 12.096 1.054 1.149 1.00 0.00 C ATOM 0 H PHE A 58 6.834 -2.105 1.569 1.00 0.00 H new ATOM 0 HA PHE A 58 8.367 -0.787 3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.387 0.270 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.502 1.354 2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.864 1.184 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.203 0.174 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.290 1.539 3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.630 0.527 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.144 1.208 0.940 1.00 0.00 H new ATOM 858 N ILE A 59 5.650 -1.648 3.949 1.00 0.00 N ATOM 859 CA ILE A 59 4.337 -1.614 4.569 1.00 0.00 C ATOM 860 C ILE A 59 4.290 -2.630 5.712 1.00 0.00 C ATOM 861 O ILE A 59 5.306 -3.236 6.050 1.00 0.00 O ATOM 862 CB ILE A 59 3.243 -1.819 3.519 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.611 -2.950 2.557 1.00 0.00 C ATOM 864 CG2 ILE A 59 2.941 -0.513 2.780 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.311 -4.316 3.177 1.00 0.00 C ATOM 0 H ILE A 59 6.046 -2.582 3.840 1.00 0.00 H new ATOM 0 HA ILE A 59 4.148 -0.633 5.006 1.00 0.00 H new ATOM 0 HB ILE A 59 2.329 -2.118 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.053 -2.838 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.669 -2.886 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.160 -0.686 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.604 0.239 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.843 -0.161 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.582 -5.103 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.889 -4.435 4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.248 -4.385 3.407 1.00 0.00 H new ATOM 877 N LYS A 60 3.101 -2.786 6.275 1.00 0.00 N ATOM 878 CA LYS A 60 2.909 -3.719 7.372 1.00 0.00 C ATOM 879 C LYS A 60 1.483 -4.271 7.323 1.00 0.00 C ATOM 880 O LYS A 60 0.544 -3.617 7.775 1.00 0.00 O ATOM 881 CB LYS A 60 3.267 -3.059 8.705 1.00 0.00 C ATOM 882 CG LYS A 60 2.406 -1.819 8.952 1.00 0.00 C ATOM 883 CD LYS A 60 3.181 -0.761 9.740 1.00 0.00 C ATOM 884 CE LYS A 60 3.163 -1.071 11.238 1.00 0.00 C ATOM 885 NZ LYS A 60 3.463 0.147 12.024 1.00 0.00 N ATOM 0 H LYS A 60 2.261 -2.282 5.992 1.00 0.00 H new ATOM 0 HA LYS A 60 3.584 -4.569 7.272 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.126 -3.772 9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.321 -2.780 8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.081 -1.402 7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.507 -2.100 9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.211 -0.721 9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.744 0.222 9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.186 -1.463 11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.896 -1.846 11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.447 -0.082 13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.405 0.504 11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.749 0.875 11.822 1.00 0.00 H new ATOM 899 N GLU A 61 1.365 -5.469 6.770 1.00 0.00 N ATOM 900 CA GLU A 61 0.069 -6.117 6.656 1.00 0.00 C ATOM 901 C GLU A 61 -0.724 -5.949 7.953 1.00 0.00 C ATOM 902 O GLU A 61 -0.145 -5.721 9.015 1.00 0.00 O ATOM 903 CB GLU A 61 0.225 -7.596 6.297 1.00 0.00 C ATOM 904 CG GLU A 61 1.198 -7.777 5.130 1.00 0.00 C ATOM 905 CD GLU A 61 2.495 -8.442 5.595 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.386 -9.496 6.258 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.566 -7.881 5.278 1.00 0.00 O ATOM 0 H GLU A 61 2.146 -6.008 6.396 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.485 -5.638 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.585 -8.149 7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.746 -8.014 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.732 -8.384 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.422 -6.808 4.685 1.00 0.00 H new ATOM 914 N LEU A 62 -2.038 -6.067 7.826 1.00 0.00 N ATOM 915 CA LEU A 62 -2.916 -5.931 8.975 1.00 0.00 C ATOM 916 C LEU A 62 -4.100 -6.888 8.823 1.00 0.00 C ATOM 917 O LEU A 62 -5.104 -6.546 8.200 1.00 0.00 O ATOM 918 CB LEU A 62 -3.328 -4.469 9.164 1.00 0.00 C ATOM 919 CG LEU A 62 -2.225 -3.429 8.958 1.00 0.00 C ATOM 920 CD1 LEU A 62 -2.818 -2.064 8.606 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.305 -3.358 10.178 1.00 0.00 C ATOM 0 H LEU A 62 -2.515 -6.255 6.944 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.393 -6.212 9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.141 -4.249 8.472 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.727 -4.352 10.172 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.613 -3.742 8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.013 -1.343 8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.398 -2.145 7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.467 -1.729 9.415 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.530 -2.611 10.006 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.887 -3.081 11.057 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.842 -4.331 10.342 1.00 0.00 H new