USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 CYS SG : rot 180:sc= 0.0664 USER MOD Set 1.2: A 15 ASN : amide:sc= -0.988 X(o=-0.92,f=-0.84) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.397 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.393 (180deg=-1.21!) USER MOD Single : A 20 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.27 K(o=-1.3,f=-6.2!) USER MOD Single : A 28 LYS NZ :NH3+ -116:sc= 1.03 (180deg=-0.312) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 97:sc= 1.24 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 48 ASN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 161:sc= 0.433 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -6.420 -8.829 1.389 1.00 0.00 N ATOM 67 CA PRO A 8 -5.036 -8.632 0.948 1.00 0.00 C ATOM 68 C PRO A 8 -4.406 -7.383 1.554 1.00 0.00 C ATOM 69 O PRO A 8 -5.097 -6.408 1.849 1.00 0.00 O ATOM 70 CB PRO A 8 -5.166 -8.482 -0.570 1.00 0.00 C ATOM 71 CG PRO A 8 -6.553 -7.984 -0.784 1.00 0.00 C ATOM 72 CD PRO A 8 -7.388 -8.603 0.303 1.00 0.00 C ATOM 0 HA PRO A 8 -4.390 -9.454 1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.429 -7.782 -0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.004 -9.433 -1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.589 -6.896 -0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.922 -8.269 -1.769 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.196 -7.941 0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.849 -9.535 -0.025 1.00 0.00 H new ATOM 80 N ARG A 9 -3.090 -7.419 1.738 1.00 0.00 N ATOM 81 CA ARG A 9 -2.367 -6.290 2.310 1.00 0.00 C ATOM 82 C ARG A 9 -0.983 -6.155 1.681 1.00 0.00 C ATOM 83 O ARG A 9 -0.551 -7.018 0.918 1.00 0.00 O ATOM 84 CB ARG A 9 -2.237 -6.455 3.825 1.00 0.00 C ATOM 85 CG ARG A 9 -3.572 -6.583 4.541 1.00 0.00 C ATOM 86 CD ARG A 9 -3.394 -6.612 6.051 1.00 0.00 C ATOM 87 NE ARG A 9 -4.674 -6.611 6.753 1.00 0.00 N ATOM 88 CZ ARG A 9 -4.817 -6.976 8.022 1.00 0.00 C ATOM 89 NH1 ARG A 9 -3.763 -7.369 8.725 1.00 0.00 N ATOM 90 NH2 ARG A 9 -6.015 -6.949 8.591 1.00 0.00 N ATOM 0 H ARG A 9 -2.503 -8.218 1.499 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.933 -5.383 2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.635 -7.339 4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.698 -5.599 4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.215 -5.747 4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.075 -7.494 4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.827 -7.500 6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.808 -5.747 6.364 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.504 -6.314 6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.840 -7.391 8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.875 -7.649 9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.828 -6.648 8.054 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.123 -7.230 9.566 1.00 0.00 H new ATOM 104 N ALA A 10 -0.294 -5.066 2.007 1.00 0.00 N ATOM 105 CA ALA A 10 1.040 -4.819 1.476 1.00 0.00 C ATOM 106 C ALA A 10 1.950 -4.210 2.538 1.00 0.00 C ATOM 107 O ALA A 10 1.479 -3.592 3.493 1.00 0.00 O ATOM 108 CB ALA A 10 0.964 -3.909 0.259 1.00 0.00 C ATOM 0 H ALA A 10 -0.638 -4.341 2.636 1.00 0.00 H new ATOM 0 HA ALA A 10 1.467 -5.776 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.968 -3.733 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.357 -4.383 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.513 -2.958 0.543 1.00 0.00 H new ATOM 114 N LYS A 11 3.255 -4.390 2.367 1.00 0.00 N ATOM 115 CA LYS A 11 4.232 -3.859 3.310 1.00 0.00 C ATOM 116 C LYS A 11 5.191 -2.898 2.615 1.00 0.00 C ATOM 117 O LYS A 11 5.816 -3.245 1.614 1.00 0.00 O ATOM 118 CB LYS A 11 5.018 -5.000 3.960 1.00 0.00 C ATOM 119 CG LYS A 11 6.200 -4.529 4.789 1.00 0.00 C ATOM 120 CD LYS A 11 6.648 -5.594 5.776 1.00 0.00 C ATOM 121 CE LYS A 11 8.136 -5.487 6.074 1.00 0.00 C ATOM 122 NZ LYS A 11 8.956 -6.220 5.071 1.00 0.00 N ATOM 0 H LYS A 11 3.661 -4.900 1.583 1.00 0.00 H new ATOM 0 HA LYS A 11 3.693 -3.312 4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.346 -5.577 4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.376 -5.673 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.029 -4.271 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.928 -3.622 5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.082 -5.494 6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.427 -6.582 5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.429 -4.437 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.337 -5.885 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.964 -6.123 5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.694 -7.226 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.784 -5.823 4.125 1.00 0.00 H new ATOM 136 N ALA A 12 5.304 -1.688 3.155 1.00 0.00 N ATOM 137 CA ALA A 12 6.190 -0.679 2.589 1.00 0.00 C ATOM 138 C ALA A 12 7.638 -1.159 2.586 1.00 0.00 C ATOM 139 O ALA A 12 8.100 -1.775 3.547 1.00 0.00 O ATOM 140 CB ALA A 12 6.066 0.626 3.362 1.00 0.00 C ATOM 0 H ALA A 12 4.793 -1.384 3.984 1.00 0.00 H new ATOM 0 HA ALA A 12 5.890 -0.506 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.733 1.371 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.038 0.985 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.338 0.459 4.404 1.00 0.00 H new ATOM 146 N LEU A 13 8.349 -0.873 1.501 1.00 0.00 N ATOM 147 CA LEU A 13 9.745 -1.276 1.372 1.00 0.00 C ATOM 148 C LEU A 13 10.679 -0.107 1.668 1.00 0.00 C ATOM 149 O LEU A 13 11.775 -0.293 2.198 1.00 0.00 O ATOM 150 CB LEU A 13 10.014 -1.814 -0.034 1.00 0.00 C ATOM 151 CG LEU A 13 9.318 -3.128 -0.394 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.475 -3.426 -1.877 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.872 -4.271 0.444 1.00 0.00 C ATOM 0 H LEU A 13 7.982 -0.363 0.697 1.00 0.00 H new ATOM 0 HA LEU A 13 9.938 -2.065 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.711 -1.056 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.089 -1.952 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 13 8.255 -3.026 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.974 -4.364 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.030 -2.619 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.534 -3.508 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.366 -5.198 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.941 -4.374 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.707 -4.061 1.501 1.00 0.00 H new ATOM 165 N CYS A 14 10.237 1.098 1.325 1.00 0.00 N ATOM 166 CA CYS A 14 11.032 2.299 1.555 1.00 0.00 C ATOM 167 C CYS A 14 10.163 3.433 2.089 1.00 0.00 C ATOM 168 O CYS A 14 8.940 3.318 2.141 1.00 0.00 O ATOM 169 CB CYS A 14 11.723 2.734 0.262 1.00 0.00 C ATOM 170 SG CYS A 14 13.274 3.627 0.518 1.00 0.00 S ATOM 0 H CYS A 14 9.332 1.269 0.887 1.00 0.00 H new ATOM 0 HA CYS A 14 11.790 2.065 2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.921 1.851 -0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.041 3.367 -0.306 1.00 0.00 H new ATOM 0 HG CYS A 14 13.784 3.951 -0.633 1.00 0.00 H new ATOM 176 N ASN A 15 10.805 4.527 2.485 1.00 0.00 N ATOM 177 CA ASN A 15 10.091 5.682 3.017 1.00 0.00 C ATOM 178 C ASN A 15 9.320 6.400 1.914 1.00 0.00 C ATOM 179 O ASN A 15 9.912 6.924 0.969 1.00 0.00 O ATOM 180 CB ASN A 15 11.069 6.650 3.685 1.00 0.00 C ATOM 181 CG ASN A 15 12.107 7.183 2.716 1.00 0.00 C ATOM 182 OD1 ASN A 15 11.918 8.232 2.101 1.00 0.00 O ATOM 183 ND2 ASN A 15 13.212 6.459 2.576 1.00 0.00 N ATOM 0 H ASN A 15 11.818 4.638 2.448 1.00 0.00 H new ATOM 0 HA ASN A 15 9.379 5.326 3.761 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.514 7.484 4.114 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.571 6.144 4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.946 6.767 1.938 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.326 5.595 3.106 1.00 0.00 H new ATOM 190 N TYR A 16 7.998 6.422 2.040 1.00 0.00 N ATOM 191 CA TYR A 16 7.146 7.074 1.054 1.00 0.00 C ATOM 192 C TYR A 16 6.401 8.253 1.672 1.00 0.00 C ATOM 193 O TYR A 16 5.506 8.829 1.053 1.00 0.00 O ATOM 194 CB TYR A 16 6.147 6.074 0.471 1.00 0.00 C ATOM 195 CG TYR A 16 5.769 6.361 -0.965 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.522 5.855 -2.017 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.659 7.140 -1.269 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.181 6.116 -3.330 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.310 7.405 -2.580 1.00 0.00 C ATOM 200 CZ TYR A 16 5.075 6.891 -3.606 1.00 0.00 C ATOM 201 OH TYR A 16 4.731 7.152 -4.913 1.00 0.00 O ATOM 0 H TYR A 16 7.493 5.995 2.817 1.00 0.00 H new ATOM 0 HA TYR A 16 7.783 7.450 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.571 5.072 0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.245 6.076 1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.389 5.247 -1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.059 7.545 -0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.778 5.715 -4.136 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.443 8.011 -2.800 1.00 0.00 H new ATOM 0 HH TYR A 16 3.927 7.711 -4.934 1.00 0.00 H new ATOM 211 N ARG A 17 6.778 8.607 2.896 1.00 0.00 N ATOM 212 CA ARG A 17 6.146 9.716 3.600 1.00 0.00 C ATOM 213 C ARG A 17 6.721 11.051 3.137 1.00 0.00 C ATOM 214 O ARG A 17 6.795 12.007 3.908 1.00 0.00 O ATOM 215 CB ARG A 17 6.334 9.563 5.110 1.00 0.00 C ATOM 216 CG ARG A 17 5.198 10.156 5.929 1.00 0.00 C ATOM 217 CD ARG A 17 5.294 11.672 6.000 1.00 0.00 C ATOM 218 NE ARG A 17 4.581 12.212 7.154 1.00 0.00 N ATOM 219 CZ ARG A 17 3.267 12.407 7.180 1.00 0.00 C ATOM 220 NH1 ARG A 17 2.527 12.109 6.121 1.00 0.00 N ATOM 221 NH2 ARG A 17 2.690 12.903 8.268 1.00 0.00 N ATOM 0 H ARG A 17 7.518 8.142 3.421 1.00 0.00 H new ATOM 0 HA ARG A 17 5.081 9.700 3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.429 8.504 5.350 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.269 10.041 5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.243 9.871 5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.220 9.741 6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.342 11.967 6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.885 12.104 5.087 1.00 0.00 H new ATOM 0 HE ARG A 17 5.121 12.453 7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.966 11.729 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.519 12.260 6.145 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.256 13.135 9.085 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.681 13.052 8.287 1.00 0.00 H new ATOM 235 N GLY A 18 7.127 11.109 1.872 1.00 0.00 N ATOM 236 CA GLY A 18 7.691 12.331 1.329 1.00 0.00 C ATOM 237 C GLY A 18 6.629 13.274 0.799 1.00 0.00 C ATOM 238 O GLY A 18 5.541 13.379 1.367 1.00 0.00 O ATOM 0 H GLY A 18 7.075 10.332 1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.268 12.837 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.385 12.082 0.526 1.00 0.00 H new ATOM 242 N LYS A 19 6.943 13.964 -0.291 1.00 0.00 N ATOM 243 CA LYS A 19 6.009 14.904 -0.898 1.00 0.00 C ATOM 244 C LYS A 19 5.652 14.477 -2.318 1.00 0.00 C ATOM 245 O LYS A 19 6.469 14.582 -3.232 1.00 0.00 O ATOM 246 CB LYS A 19 6.608 16.313 -0.914 1.00 0.00 C ATOM 247 CG LYS A 19 8.068 16.347 -1.331 1.00 0.00 C ATOM 248 CD LYS A 19 8.992 16.109 -0.148 1.00 0.00 C ATOM 249 CE LYS A 19 10.397 15.744 -0.602 1.00 0.00 C ATOM 250 NZ LYS A 19 10.383 14.688 -1.653 1.00 0.00 N ATOM 0 H LYS A 19 7.839 13.890 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 19 5.098 14.909 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.029 16.937 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.512 16.751 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.248 15.588 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.296 17.312 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.030 17.005 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.590 15.309 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.897 16.633 -0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.977 15.397 0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.325 14.252 -1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.682 13.961 -1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.133 15.113 -2.569 1.00 0.00 H new ATOM 264 N ASN A 20 4.426 13.995 -2.496 1.00 0.00 N ATOM 265 CA ASN A 20 3.961 13.552 -3.805 1.00 0.00 C ATOM 266 C ASN A 20 2.582 14.127 -4.116 1.00 0.00 C ATOM 267 O ASN A 20 1.757 14.343 -3.227 1.00 0.00 O ATOM 268 CB ASN A 20 3.913 12.024 -3.863 1.00 0.00 C ATOM 269 CG ASN A 20 5.256 11.417 -4.218 1.00 0.00 C ATOM 270 OD1 ASN A 20 5.447 10.908 -5.323 1.00 0.00 O ATOM 271 ND2 ASN A 20 6.195 11.467 -3.280 1.00 0.00 N ATOM 0 H ASN A 20 3.737 13.901 -1.750 1.00 0.00 H new ATOM 0 HA ASN A 20 4.664 13.915 -4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.586 11.637 -2.898 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.171 11.714 -4.599 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.119 11.074 -3.461 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.993 11.899 -2.378 1.00 0.00 H new ATOM 278 N PRO A 21 2.325 14.382 -5.407 1.00 0.00 N ATOM 279 CA PRO A 21 1.046 14.934 -5.866 1.00 0.00 C ATOM 280 C PRO A 21 -0.098 13.935 -5.733 1.00 0.00 C ATOM 281 O PRO A 21 -0.077 12.868 -6.346 1.00 0.00 O ATOM 282 CB PRO A 21 1.307 15.256 -7.339 1.00 0.00 C ATOM 283 CG PRO A 21 2.403 14.331 -7.741 1.00 0.00 C ATOM 284 CD PRO A 21 3.261 14.150 -6.520 1.00 0.00 C ATOM 0 HA PRO A 21 0.739 15.797 -5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.414 15.097 -7.943 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.600 16.298 -7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.002 13.376 -8.081 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.981 14.747 -8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.695 13.151 -6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.089 14.858 -6.503 1.00 0.00 H new ATOM 292 N GLY A 22 -1.096 14.288 -4.929 1.00 0.00 N ATOM 293 CA GLY A 22 -2.235 13.411 -4.731 1.00 0.00 C ATOM 294 C GLY A 22 -1.827 11.962 -4.548 1.00 0.00 C ATOM 295 O GLY A 22 -2.372 11.070 -5.198 1.00 0.00 O ATOM 0 H GLY A 22 -1.136 15.166 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.796 13.741 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.905 13.491 -5.587 1.00 0.00 H new ATOM 299 N ASP A 23 -0.863 11.728 -3.664 1.00 0.00 N ATOM 300 CA ASP A 23 -0.381 10.378 -3.399 1.00 0.00 C ATOM 301 C ASP A 23 -0.597 10.001 -1.936 1.00 0.00 C ATOM 302 O ASP A 23 -1.107 10.799 -1.148 1.00 0.00 O ATOM 303 CB ASP A 23 1.102 10.263 -3.754 1.00 0.00 C ATOM 304 CG ASP A 23 1.323 9.950 -5.221 1.00 0.00 C ATOM 305 OD1 ASP A 23 1.234 10.882 -6.047 1.00 0.00 O ATOM 306 OD2 ASP A 23 1.585 8.772 -5.543 1.00 0.00 O ATOM 0 H ASP A 23 -0.400 12.456 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.950 9.688 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.606 11.197 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.559 9.482 -3.146 1.00 0.00 H new ATOM 311 N LEU A 24 -0.206 8.783 -1.580 1.00 0.00 N ATOM 312 CA LEU A 24 -0.357 8.300 -0.212 1.00 0.00 C ATOM 313 C LEU A 24 0.988 8.268 0.506 1.00 0.00 C ATOM 314 O LEU A 24 1.931 7.619 0.053 1.00 0.00 O ATOM 315 CB LEU A 24 -0.983 6.904 -0.209 1.00 0.00 C ATOM 316 CG LEU A 24 -1.564 6.432 1.124 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.715 5.465 0.892 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.483 5.783 1.977 1.00 0.00 C ATOM 0 H LEU A 24 0.218 8.111 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.015 8.988 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.776 6.882 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.226 6.187 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.948 7.300 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.116 5.140 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.499 5.963 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.356 4.599 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.914 5.453 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.068 4.925 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.309 6.506 2.173 1.00 0.00 H new ATOM 330 N LYS A 25 1.069 8.971 1.631 1.00 0.00 N ATOM 331 CA LYS A 25 2.298 9.022 2.415 1.00 0.00 C ATOM 332 C LYS A 25 2.342 7.884 3.430 1.00 0.00 C ATOM 333 O LYS A 25 1.442 7.743 4.259 1.00 0.00 O ATOM 334 CB LYS A 25 2.412 10.367 3.135 1.00 0.00 C ATOM 335 CG LYS A 25 2.604 11.545 2.195 1.00 0.00 C ATOM 336 CD LYS A 25 1.273 12.098 1.715 1.00 0.00 C ATOM 337 CE LYS A 25 1.444 13.443 1.026 1.00 0.00 C ATOM 338 NZ LYS A 25 0.149 14.165 0.890 1.00 0.00 N ATOM 0 H LYS A 25 0.298 9.513 2.020 1.00 0.00 H new ATOM 0 HA LYS A 25 3.141 8.910 1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.512 10.529 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.250 10.327 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.163 12.330 2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.200 11.234 1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.811 11.391 1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.596 12.206 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.144 14.056 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.881 13.292 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.308 15.077 0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.511 13.592 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.256 14.332 1.833 1.00 0.00 H new ATOM 352 N PHE A 26 3.395 7.076 3.361 1.00 0.00 N ATOM 353 CA PHE A 26 3.556 5.952 4.275 1.00 0.00 C ATOM 354 C PHE A 26 5.024 5.754 4.641 1.00 0.00 C ATOM 355 O PHE A 26 5.910 6.367 4.047 1.00 0.00 O ATOM 356 CB PHE A 26 2.999 4.672 3.647 1.00 0.00 C ATOM 357 CG PHE A 26 3.626 4.331 2.326 1.00 0.00 C ATOM 358 CD1 PHE A 26 3.111 4.843 1.146 1.00 0.00 C ATOM 359 CD2 PHE A 26 4.732 3.498 2.264 1.00 0.00 C ATOM 360 CE1 PHE A 26 3.686 4.530 -0.071 1.00 0.00 C ATOM 361 CE2 PHE A 26 5.312 3.182 1.050 1.00 0.00 C ATOM 362 CZ PHE A 26 4.789 3.699 -0.119 1.00 0.00 C ATOM 0 H PHE A 26 4.149 7.179 2.682 1.00 0.00 H new ATOM 0 HA PHE A 26 2.999 6.174 5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.151 3.842 4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.923 4.781 3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.250 5.494 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.145 3.091 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.274 4.934 -0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.173 2.531 1.016 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.241 3.454 -1.069 1.00 0.00 H new ATOM 372 N ASN A 27 5.273 4.895 5.624 1.00 0.00 N ATOM 373 CA ASN A 27 6.633 4.617 6.071 1.00 0.00 C ATOM 374 C ASN A 27 7.025 3.177 5.756 1.00 0.00 C ATOM 375 O ASN A 27 6.168 2.325 5.521 1.00 0.00 O ATOM 376 CB ASN A 27 6.762 4.876 7.573 1.00 0.00 C ATOM 377 CG ASN A 27 6.424 6.307 7.944 1.00 0.00 C ATOM 378 OD1 ASN A 27 6.240 7.159 7.074 1.00 0.00 O ATOM 379 ND2 ASN A 27 6.343 6.579 9.242 1.00 0.00 N ATOM 0 H ASN A 27 4.550 4.379 6.126 1.00 0.00 H new ATOM 0 HA ASN A 27 7.308 5.284 5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.102 4.198 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.780 4.652 7.892 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.121 7.525 9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.503 5.842 9.929 1.00 0.00 H new ATOM 386 N LYS A 28 8.327 2.911 5.754 1.00 0.00 N ATOM 387 CA LYS A 28 8.835 1.574 5.471 1.00 0.00 C ATOM 388 C LYS A 28 8.377 0.581 6.535 1.00 0.00 C ATOM 389 O LYS A 28 8.596 0.790 7.727 1.00 0.00 O ATOM 390 CB LYS A 28 10.364 1.591 5.398 1.00 0.00 C ATOM 391 CG LYS A 28 10.978 0.220 5.175 1.00 0.00 C ATOM 392 CD LYS A 28 12.493 0.295 5.092 1.00 0.00 C ATOM 393 CE LYS A 28 13.122 -1.090 5.128 1.00 0.00 C ATOM 394 NZ LYS A 28 13.280 -1.663 3.763 1.00 0.00 N ATOM 0 H LYS A 28 9.050 3.605 5.945 1.00 0.00 H new ATOM 0 HA LYS A 28 8.435 1.257 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.673 2.254 4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.759 2.010 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.690 -0.446 5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.583 -0.211 4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.783 0.804 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.875 0.891 5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.096 -1.034 5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.503 -1.754 5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.689 -2.514 3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.985 -0.960 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.277 -1.916 3.606 1.00 0.00 H new ATOM 408 N GLY A 29 7.742 -0.500 6.094 1.00 0.00 N ATOM 409 CA GLY A 29 7.265 -1.510 7.022 1.00 0.00 C ATOM 410 C GLY A 29 5.771 -1.419 7.260 1.00 0.00 C ATOM 411 O GLY A 29 5.092 -2.438 7.384 1.00 0.00 O ATOM 0 H GLY A 29 7.549 -0.695 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.508 -2.499 6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.788 -1.402 7.972 1.00 0.00 H new ATOM 415 N ASP A 30 5.257 -0.195 7.325 1.00 0.00 N ATOM 416 CA ASP A 30 3.833 0.025 7.551 1.00 0.00 C ATOM 417 C ASP A 30 2.995 -0.821 6.598 1.00 0.00 C ATOM 418 O ASP A 30 3.369 -1.030 5.444 1.00 0.00 O ATOM 419 CB ASP A 30 3.491 1.506 7.374 1.00 0.00 C ATOM 420 CG ASP A 30 3.869 2.336 8.585 1.00 0.00 C ATOM 421 OD1 ASP A 30 4.766 1.907 9.342 1.00 0.00 O ATOM 422 OD2 ASP A 30 3.269 3.414 8.776 1.00 0.00 O ATOM 0 H ASP A 30 5.805 0.659 7.224 1.00 0.00 H new ATOM 0 HA ASP A 30 3.601 -0.274 8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.008 1.893 6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.422 1.609 7.186 1.00 0.00 H new ATOM 427 N VAL A 31 1.859 -1.306 7.089 1.00 0.00 N ATOM 428 CA VAL A 31 0.967 -2.130 6.281 1.00 0.00 C ATOM 429 C VAL A 31 -0.209 -1.314 5.756 1.00 0.00 C ATOM 430 O VAL A 31 -1.011 -0.792 6.532 1.00 0.00 O ATOM 431 CB VAL A 31 0.428 -3.328 7.085 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.558 -4.131 6.251 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.574 -4.207 7.563 1.00 0.00 C ATOM 0 H VAL A 31 1.534 -1.143 8.042 1.00 0.00 H new ATOM 0 HA VAL A 31 1.553 -2.501 5.440 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.099 -2.948 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.928 -4.973 6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.394 -3.494 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.059 -4.502 5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.175 -5.049 8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.130 -4.579 6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.239 -3.624 8.200 1.00 0.00 H new ATOM 443 N ILE A 32 -0.306 -1.209 4.436 1.00 0.00 N ATOM 444 CA ILE A 32 -1.386 -0.458 3.807 1.00 0.00 C ATOM 445 C ILE A 32 -2.466 -1.392 3.271 1.00 0.00 C ATOM 446 O ILE A 32 -2.239 -2.138 2.318 1.00 0.00 O ATOM 447 CB ILE A 32 -0.864 0.420 2.654 1.00 0.00 C ATOM 448 CG1 ILE A 32 0.222 1.371 3.160 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.007 1.200 2.023 1.00 0.00 C ATOM 450 CD1 ILE A 32 1.179 1.826 2.079 1.00 0.00 C ATOM 0 H ILE A 32 0.350 -1.634 3.781 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.814 0.184 4.577 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.428 -0.227 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.251 2.245 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.787 0.877 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.622 1.816 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.750 0.505 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.470 1.840 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.922 2.498 2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.680 0.959 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.625 2.349 1.300 1.00 0.00 H new ATOM 462 N LEU A 33 -3.641 -1.344 3.889 1.00 0.00 N ATOM 463 CA LEU A 33 -4.758 -2.185 3.473 1.00 0.00 C ATOM 464 C LEU A 33 -5.250 -1.789 2.084 1.00 0.00 C ATOM 465 O LEU A 33 -5.530 -0.618 1.823 1.00 0.00 O ATOM 466 CB LEU A 33 -5.904 -2.079 4.481 1.00 0.00 C ATOM 467 CG LEU A 33 -5.718 -2.846 5.791 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.003 -1.982 6.819 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.061 -3.317 6.329 1.00 0.00 C ATOM 0 H LEU A 33 -3.845 -0.732 4.679 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.409 -3.217 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.057 -1.026 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.817 -2.433 4.002 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.102 -3.723 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.880 -2.545 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.024 -1.695 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.593 -1.086 7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.909 -3.861 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.702 -2.455 6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.535 -3.973 5.599 1.00 0.00 H new ATOM 481 N LEU A 34 -5.355 -2.773 1.198 1.00 0.00 N ATOM 482 CA LEU A 34 -5.816 -2.528 -0.165 1.00 0.00 C ATOM 483 C LEU A 34 -7.312 -2.230 -0.189 1.00 0.00 C ATOM 484 O LEU A 34 -8.133 -3.102 0.097 1.00 0.00 O ATOM 485 CB LEU A 34 -5.511 -3.737 -1.052 1.00 0.00 C ATOM 486 CG LEU A 34 -4.032 -4.011 -1.327 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.859 -5.347 -2.033 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.425 -2.886 -2.153 1.00 0.00 C ATOM 0 H LEU A 34 -5.128 -3.747 1.398 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.285 -1.658 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.944 -4.623 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.018 -3.599 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.507 -4.057 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.800 -5.525 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.255 -6.145 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.397 -5.330 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.372 -3.098 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.953 -2.807 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.515 -1.946 -1.609 1.00 0.00 H new ATOM 500 N ARG A 35 -7.658 -0.995 -0.534 1.00 0.00 N ATOM 501 CA ARG A 35 -9.055 -0.582 -0.596 1.00 0.00 C ATOM 502 C ARG A 35 -9.591 -0.691 -2.021 1.00 0.00 C ATOM 503 O ARG A 35 -10.708 -1.159 -2.240 1.00 0.00 O ATOM 504 CB ARG A 35 -9.208 0.853 -0.091 1.00 0.00 C ATOM 505 CG ARG A 35 -10.606 1.419 -0.279 1.00 0.00 C ATOM 506 CD ARG A 35 -11.584 0.836 0.729 1.00 0.00 C ATOM 507 NE ARG A 35 -12.966 0.923 0.265 1.00 0.00 N ATOM 508 CZ ARG A 35 -14.019 0.834 1.070 1.00 0.00 C ATOM 509 NH1 ARG A 35 -13.848 0.655 2.373 1.00 0.00 N ATOM 510 NH2 ARG A 35 -15.246 0.923 0.572 1.00 0.00 N ATOM 0 H ARG A 35 -6.990 -0.262 -0.775 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.633 -1.248 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.951 0.886 0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.494 1.491 -0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.578 2.504 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.953 1.205 -1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.330 -0.207 0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.486 1.365 1.677 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.132 1.060 -0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.906 0.585 2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.658 0.587 2.989 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.381 1.060 -0.430 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.054 0.855 1.191 1.00 0.00 H new ATOM 524 N ARG A 36 -8.787 -0.256 -2.985 1.00 0.00 N ATOM 525 CA ARG A 36 -9.181 -0.302 -4.388 1.00 0.00 C ATOM 526 C ARG A 36 -7.959 -0.447 -5.291 1.00 0.00 C ATOM 527 O ARG A 36 -7.022 0.347 -5.214 1.00 0.00 O ATOM 528 CB ARG A 36 -9.960 0.960 -4.763 1.00 0.00 C ATOM 529 CG ARG A 36 -10.532 0.926 -6.171 1.00 0.00 C ATOM 530 CD ARG A 36 -11.205 2.241 -6.530 1.00 0.00 C ATOM 531 NE ARG A 36 -11.198 2.484 -7.970 1.00 0.00 N ATOM 532 CZ ARG A 36 -11.790 3.527 -8.542 1.00 0.00 C ATOM 533 NH1 ARG A 36 -12.433 4.418 -7.801 1.00 0.00 N ATOM 534 NH2 ARG A 36 -11.740 3.679 -9.860 1.00 0.00 N ATOM 0 H ARG A 36 -7.858 0.133 -2.820 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.822 -1.172 -4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.775 1.099 -4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.303 1.824 -4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.734 0.718 -6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.253 0.113 -6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.233 2.232 -6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.695 3.060 -6.022 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.712 1.817 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.475 4.304 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.886 5.217 -8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.247 2.995 -10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.195 4.480 -10.299 1.00 0.00 H new ATOM 548 N GLN A 37 -7.978 -1.465 -6.145 1.00 0.00 N ATOM 549 CA GLN A 37 -6.872 -1.713 -7.062 1.00 0.00 C ATOM 550 C GLN A 37 -7.079 -0.972 -8.379 1.00 0.00 C ATOM 551 O GLN A 37 -7.970 -1.308 -9.159 1.00 0.00 O ATOM 552 CB GLN A 37 -6.726 -3.213 -7.325 1.00 0.00 C ATOM 553 CG GLN A 37 -5.754 -3.542 -8.446 1.00 0.00 C ATOM 554 CD GLN A 37 -5.565 -5.035 -8.635 1.00 0.00 C ATOM 555 OE1 GLN A 37 -6.174 -5.843 -7.933 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.719 -5.409 -9.587 1.00 0.00 N ATOM 0 H GLN A 37 -8.747 -2.131 -6.221 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.959 -1.342 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.392 -3.703 -6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.704 -3.627 -7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.117 -3.105 -9.376 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.789 -3.082 -8.232 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.236 -4.705 -10.145 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.552 -6.400 -9.760 1.00 0.00 H new ATOM 565 N LEU A 38 -6.250 0.039 -8.619 1.00 0.00 N ATOM 566 CA LEU A 38 -6.342 0.829 -9.842 1.00 0.00 C ATOM 567 C LEU A 38 -5.579 0.160 -10.981 1.00 0.00 C ATOM 568 O LEU A 38 -6.053 0.114 -12.116 1.00 0.00 O ATOM 569 CB LEU A 38 -5.795 2.238 -9.605 1.00 0.00 C ATOM 570 CG LEU A 38 -6.424 3.015 -8.448 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.483 4.109 -7.966 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.761 3.607 -8.868 1.00 0.00 C ATOM 0 H LEU A 38 -5.507 0.330 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.393 0.896 -10.123 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.722 2.165 -9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.927 2.816 -10.519 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.598 2.324 -7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.947 4.651 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.549 3.662 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.277 4.799 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.194 4.156 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.611 4.284 -9.709 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.437 2.805 -9.164 1.00 0.00 H new ATOM 584 N ASP A 39 -4.397 -0.359 -10.670 1.00 0.00 N ATOM 585 CA ASP A 39 -3.569 -1.029 -11.666 1.00 0.00 C ATOM 586 C ASP A 39 -2.704 -2.106 -11.019 1.00 0.00 C ATOM 587 O ASP A 39 -2.809 -2.361 -9.820 1.00 0.00 O ATOM 588 CB ASP A 39 -2.683 -0.013 -12.390 1.00 0.00 C ATOM 589 CG ASP A 39 -2.373 -0.428 -13.815 1.00 0.00 C ATOM 590 OD1 ASP A 39 -2.592 -1.611 -14.149 1.00 0.00 O ATOM 591 OD2 ASP A 39 -1.911 0.431 -14.596 1.00 0.00 O ATOM 0 H ASP A 39 -3.990 -0.329 -9.735 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.230 -1.506 -12.390 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.179 0.958 -12.397 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.750 0.109 -11.839 1.00 0.00 H new ATOM 596 N GLU A 40 -1.853 -2.736 -11.822 1.00 0.00 N ATOM 597 CA GLU A 40 -0.972 -3.787 -11.327 1.00 0.00 C ATOM 598 C GLU A 40 0.249 -3.192 -10.632 1.00 0.00 C ATOM 599 O GLU A 40 0.900 -3.853 -9.824 1.00 0.00 O ATOM 600 CB GLU A 40 -0.526 -4.693 -12.477 1.00 0.00 C ATOM 601 CG GLU A 40 0.836 -5.330 -12.258 1.00 0.00 C ATOM 602 CD GLU A 40 0.835 -6.331 -11.119 1.00 0.00 C ATOM 603 OE1 GLU A 40 0.114 -6.098 -10.126 1.00 0.00 O ATOM 604 OE2 GLU A 40 1.555 -7.346 -11.220 1.00 0.00 O ATOM 0 H GLU A 40 -1.755 -2.537 -12.818 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.529 -4.380 -10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.267 -5.480 -12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.501 -4.111 -13.398 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.152 -5.828 -13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.569 -4.550 -12.051 1.00 0.00 H new ATOM 611 N ASN A 41 0.553 -1.939 -10.953 1.00 0.00 N ATOM 612 CA ASN A 41 1.696 -1.253 -10.360 1.00 0.00 C ATOM 613 C ASN A 41 1.244 -0.275 -9.280 1.00 0.00 C ATOM 614 O ASN A 41 1.996 0.038 -8.358 1.00 0.00 O ATOM 615 CB ASN A 41 2.486 -0.510 -11.439 1.00 0.00 C ATOM 616 CG ASN A 41 2.686 -1.346 -12.689 1.00 0.00 C ATOM 617 OD1 ASN A 41 3.629 -2.131 -12.780 1.00 0.00 O ATOM 618 ND2 ASN A 41 1.795 -1.180 -13.659 1.00 0.00 N ATOM 0 H ASN A 41 0.024 -1.378 -11.620 1.00 0.00 H new ATOM 0 HA ASN A 41 2.339 -2.003 -9.899 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.962 0.410 -11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.458 -0.221 -11.039 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.877 -1.715 -14.524 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.029 -0.517 -13.540 1.00 0.00 H new ATOM 625 N TRP A 42 0.011 0.203 -9.402 1.00 0.00 N ATOM 626 CA TRP A 42 -0.542 1.146 -8.436 1.00 0.00 C ATOM 627 C TRP A 42 -1.611 0.480 -7.577 1.00 0.00 C ATOM 628 O TRP A 42 -2.235 -0.498 -7.991 1.00 0.00 O ATOM 629 CB TRP A 42 -1.132 2.359 -9.157 1.00 0.00 C ATOM 630 CG TRP A 42 -0.093 3.256 -9.757 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.578 3.063 -10.931 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.396 4.487 -9.212 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.454 4.099 -11.149 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.361 4.986 -10.109 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.111 5.216 -8.055 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.041 6.179 -9.882 1.00 0.00 C ATOM 637 CZ3 TRP A 42 0.787 6.400 -7.831 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.742 6.873 -8.741 1.00 0.00 C ATOM 0 H TRP A 42 -0.625 -0.046 -10.160 1.00 0.00 H new ATOM 0 HA TRP A 42 0.267 1.478 -7.785 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.802 2.014 -9.944 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.735 2.933 -8.453 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.440 2.220 -11.591 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.073 4.192 -11.954 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.624 4.861 -7.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.778 6.544 -10.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.576 6.971 -6.939 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.252 7.803 -8.538 1.00 0.00 H new ATOM 649 N TYR A 43 -1.819 1.015 -6.379 1.00 0.00 N ATOM 650 CA TYR A 43 -2.812 0.471 -5.460 1.00 0.00 C ATOM 651 C TYR A 43 -3.349 1.556 -4.532 1.00 0.00 C ATOM 652 O TYR A 43 -2.582 2.311 -3.935 1.00 0.00 O ATOM 653 CB TYR A 43 -2.206 -0.666 -4.636 1.00 0.00 C ATOM 654 CG TYR A 43 -1.768 -1.850 -5.468 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.669 -2.522 -6.285 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.452 -2.297 -5.437 1.00 0.00 C ATOM 657 CE1 TYR A 43 -2.273 -3.605 -7.047 1.00 0.00 C ATOM 658 CE2 TYR A 43 -0.047 -3.378 -6.196 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.961 -4.029 -6.999 1.00 0.00 C ATOM 660 OH TYR A 43 -0.562 -5.106 -7.757 1.00 0.00 O ATOM 0 H TYR A 43 -1.313 1.825 -6.021 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.641 0.081 -6.051 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.348 -0.285 -4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.938 -1.000 -3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.697 -2.192 -6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.266 -1.791 -4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.986 -4.116 -7.676 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.980 -3.712 -6.161 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.156 -4.787 -8.590 1.00 0.00 H new ATOM 670 N GLN A 44 -4.671 1.627 -4.417 1.00 0.00 N ATOM 671 CA GLN A 44 -5.311 2.619 -3.563 1.00 0.00 C ATOM 672 C GLN A 44 -5.685 2.016 -2.213 1.00 0.00 C ATOM 673 O GLN A 44 -6.685 1.308 -2.094 1.00 0.00 O ATOM 674 CB GLN A 44 -6.558 3.183 -4.246 1.00 0.00 C ATOM 675 CG GLN A 44 -7.168 4.369 -3.516 1.00 0.00 C ATOM 676 CD GLN A 44 -8.422 4.888 -4.191 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.441 5.115 -5.401 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.480 5.078 -3.411 1.00 0.00 N ATOM 0 H GLN A 44 -5.319 1.009 -4.905 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.600 3.428 -3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.301 3.485 -5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.305 2.394 -4.328 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.405 4.078 -2.493 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.433 5.172 -3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.420 4.877 -2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.352 5.425 -3.810 1.00 0.00 H new ATOM 687 N GLY A 45 -4.875 2.299 -1.198 1.00 0.00 N ATOM 688 CA GLY A 45 -5.138 1.776 0.130 1.00 0.00 C ATOM 689 C GLY A 45 -5.390 2.872 1.146 1.00 0.00 C ATOM 690 O GLY A 45 -5.605 4.027 0.781 1.00 0.00 O ATOM 0 H GLY A 45 -4.041 2.881 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.004 1.115 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.290 1.173 0.454 1.00 0.00 H new ATOM 694 N GLU A 46 -5.366 2.509 2.425 1.00 0.00 N ATOM 695 CA GLU A 46 -5.596 3.471 3.496 1.00 0.00 C ATOM 696 C GLU A 46 -4.653 3.217 4.668 1.00 0.00 C ATOM 697 O GLU A 46 -4.604 2.113 5.210 1.00 0.00 O ATOM 698 CB GLU A 46 -7.049 3.400 3.971 1.00 0.00 C ATOM 699 CG GLU A 46 -7.301 4.146 5.271 1.00 0.00 C ATOM 700 CD GLU A 46 -8.763 4.498 5.466 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.494 4.579 4.457 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.176 4.694 6.628 1.00 0.00 O ATOM 0 H GLU A 46 -5.190 1.556 2.744 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.398 4.468 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.696 3.809 3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.329 2.355 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.963 3.535 6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.706 5.059 5.283 1.00 0.00 H new ATOM 709 N ILE A 47 -3.906 4.247 5.052 1.00 0.00 N ATOM 710 CA ILE A 47 -2.964 4.136 6.159 1.00 0.00 C ATOM 711 C ILE A 47 -3.300 5.128 7.268 1.00 0.00 C ATOM 712 O ILE A 47 -3.491 6.316 7.014 1.00 0.00 O ATOM 713 CB ILE A 47 -1.516 4.375 5.693 1.00 0.00 C ATOM 714 CG1 ILE A 47 -0.528 3.835 6.729 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.277 5.857 5.447 1.00 0.00 C ATOM 716 CD1 ILE A 47 -0.164 2.382 6.516 1.00 0.00 C ATOM 0 H ILE A 47 -3.935 5.167 4.613 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.049 3.120 6.545 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.358 3.841 4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.380 4.437 6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.957 3.952 7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.249 6.010 5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.961 6.213 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.449 6.411 6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.540 2.066 7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.064 1.769 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.295 2.262 5.535 1.00 0.00 H new ATOM 728 N ASN A 48 -3.369 4.630 8.498 1.00 0.00 N ATOM 729 CA ASN A 48 -3.680 5.473 9.647 1.00 0.00 C ATOM 730 C ASN A 48 -4.944 6.290 9.396 1.00 0.00 C ATOM 731 O ASN A 48 -5.016 7.466 9.748 1.00 0.00 O ATOM 732 CB ASN A 48 -2.508 6.408 9.952 1.00 0.00 C ATOM 733 CG ASN A 48 -1.511 5.791 10.914 1.00 0.00 C ATOM 734 OD1 ASN A 48 -1.194 6.369 11.953 1.00 0.00 O ATOM 735 ND2 ASN A 48 -1.012 4.609 10.570 1.00 0.00 N ATOM 0 H ASN A 48 -3.214 3.648 8.725 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.852 4.824 10.506 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.000 6.665 9.022 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.889 7.338 10.375 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.337 4.144 11.177 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.304 4.166 9.699 1.00 0.00 H new ATOM 742 N GLY A 49 -5.940 5.655 8.785 1.00 0.00 N ATOM 743 CA GLY A 49 -7.189 6.338 8.497 1.00 0.00 C ATOM 744 C GLY A 49 -7.048 7.361 7.388 1.00 0.00 C ATOM 745 O GLY A 49 -7.831 8.307 7.303 1.00 0.00 O ATOM 0 H GLY A 49 -5.905 4.681 8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.944 5.604 8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.546 6.833 9.400 1.00 0.00 H new ATOM 749 N VAL A 50 -6.046 7.173 6.535 1.00 0.00 N ATOM 750 CA VAL A 50 -5.804 8.088 5.426 1.00 0.00 C ATOM 751 C VAL A 50 -5.766 7.343 4.097 1.00 0.00 C ATOM 752 O VAL A 50 -4.915 6.480 3.881 1.00 0.00 O ATOM 753 CB VAL A 50 -4.481 8.856 5.609 1.00 0.00 C ATOM 754 CG1 VAL A 50 -4.223 9.767 4.419 1.00 0.00 C ATOM 755 CG2 VAL A 50 -4.503 9.652 6.905 1.00 0.00 C ATOM 0 H VAL A 50 -5.389 6.395 6.591 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.630 8.799 5.417 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.667 8.134 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.284 10.301 4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.161 9.169 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.038 10.485 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.561 10.188 7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.326 10.366 6.880 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.638 8.973 7.747 1.00 0.00 H new ATOM 765 N SER A 51 -6.695 7.681 3.208 1.00 0.00 N ATOM 766 CA SER A 51 -6.771 7.041 1.900 1.00 0.00 C ATOM 767 C SER A 51 -5.875 7.756 0.893 1.00 0.00 C ATOM 768 O SER A 51 -5.729 8.977 0.932 1.00 0.00 O ATOM 769 CB SER A 51 -8.215 7.031 1.397 1.00 0.00 C ATOM 770 OG SER A 51 -8.458 5.908 0.566 1.00 0.00 O ATOM 0 H SER A 51 -7.406 8.395 3.370 1.00 0.00 H new ATOM 0 HA SER A 51 -6.423 6.013 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.899 7.014 2.246 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.417 7.948 0.843 1.00 0.00 H new ATOM 0 HG SER A 51 -9.388 5.924 0.259 1.00 0.00 H new ATOM 776 N GLY A 52 -5.275 6.984 -0.009 1.00 0.00 N ATOM 777 CA GLY A 52 -4.400 7.560 -1.013 1.00 0.00 C ATOM 778 C GLY A 52 -3.972 6.548 -2.057 1.00 0.00 C ATOM 779 O GLY A 52 -4.542 5.460 -2.148 1.00 0.00 O ATOM 0 H GLY A 52 -5.380 5.971 -0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.910 8.389 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.516 7.972 -0.527 1.00 0.00 H new ATOM 783 N ILE A 53 -2.965 6.905 -2.848 1.00 0.00 N ATOM 784 CA ILE A 53 -2.462 6.020 -3.890 1.00 0.00 C ATOM 785 C ILE A 53 -0.953 5.833 -3.771 1.00 0.00 C ATOM 786 O ILE A 53 -0.217 6.785 -3.512 1.00 0.00 O ATOM 787 CB ILE A 53 -2.791 6.560 -5.295 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.309 8.005 -5.436 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.286 6.466 -5.560 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.403 8.538 -6.848 1.00 0.00 C ATOM 0 H ILE A 53 -2.482 7.801 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.957 5.059 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.271 5.951 -6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.898 8.642 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.274 8.069 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.504 6.851 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.602 5.425 -5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.825 7.055 -4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.045 9.567 -6.873 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.792 7.925 -7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.441 8.507 -7.180 1.00 0.00 H new ATOM 802 N PHE A 54 -0.498 4.599 -3.963 1.00 0.00 N ATOM 803 CA PHE A 54 0.924 4.287 -3.878 1.00 0.00 C ATOM 804 C PHE A 54 1.312 3.235 -4.913 1.00 0.00 C ATOM 805 O PHE A 54 0.499 2.410 -5.333 1.00 0.00 O ATOM 806 CB PHE A 54 1.275 3.791 -2.474 1.00 0.00 C ATOM 807 CG PHE A 54 0.386 2.682 -1.989 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.815 2.965 -1.359 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.750 1.357 -2.165 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.635 1.947 -0.911 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.066 0.334 -1.720 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.261 0.629 -1.093 1.00 0.00 C ATOM 0 H PHE A 54 -1.093 3.799 -4.178 1.00 0.00 H new ATOM 0 HA PHE A 54 1.484 5.199 -4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.309 3.446 -2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.213 4.626 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.114 3.993 -1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.683 1.121 -2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.567 2.181 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.230 -0.695 -1.862 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.901 -0.168 -0.746 1.00 0.00 H new ATOM 822 N PRO A 55 2.584 3.263 -5.336 1.00 0.00 N ATOM 823 CA PRO A 55 3.111 2.320 -6.327 1.00 0.00 C ATOM 824 C PRO A 55 3.223 0.902 -5.776 1.00 0.00 C ATOM 825 O PRO A 55 2.771 0.620 -4.666 1.00 0.00 O ATOM 826 CB PRO A 55 4.498 2.880 -6.648 1.00 0.00 C ATOM 827 CG PRO A 55 4.886 3.652 -5.435 1.00 0.00 C ATOM 828 CD PRO A 55 3.608 4.218 -4.879 1.00 0.00 C ATOM 0 HA PRO A 55 2.459 2.236 -7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.210 2.080 -6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.472 3.518 -7.532 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.379 3.010 -4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.588 4.447 -5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.638 4.285 -3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.417 5.223 -5.255 1.00 0.00 H new ATOM 836 N ALA A 56 3.827 0.014 -6.558 1.00 0.00 N ATOM 837 CA ALA A 56 4.001 -1.374 -6.146 1.00 0.00 C ATOM 838 C ALA A 56 5.453 -1.661 -5.782 1.00 0.00 C ATOM 839 O ALA A 56 5.770 -2.723 -5.246 1.00 0.00 O ATOM 840 CB ALA A 56 3.535 -2.313 -7.249 1.00 0.00 C ATOM 0 H ALA A 56 4.204 0.231 -7.481 1.00 0.00 H new ATOM 0 HA ALA A 56 3.392 -1.543 -5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.670 -3.346 -6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.481 -2.133 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.120 -2.133 -8.151 1.00 0.00 H new ATOM 846 N SER A 57 6.332 -0.708 -6.076 1.00 0.00 N ATOM 847 CA SER A 57 7.752 -0.861 -5.784 1.00 0.00 C ATOM 848 C SER A 57 8.045 -0.526 -4.324 1.00 0.00 C ATOM 849 O SER A 57 8.879 -1.166 -3.684 1.00 0.00 O ATOM 850 CB SER A 57 8.583 0.037 -6.702 1.00 0.00 C ATOM 851 OG SER A 57 8.397 -0.313 -8.062 1.00 0.00 O ATOM 0 H SER A 57 6.085 0.178 -6.516 1.00 0.00 H new ATOM 0 HA SER A 57 8.025 -1.901 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.301 1.079 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.638 -0.049 -6.442 1.00 0.00 H new ATOM 0 HG SER A 57 8.937 0.277 -8.628 1.00 0.00 H new ATOM 857 N SER A 58 7.353 0.484 -3.805 1.00 0.00 N ATOM 858 CA SER A 58 7.541 0.908 -2.423 1.00 0.00 C ATOM 859 C SER A 58 6.671 0.084 -1.479 1.00 0.00 C ATOM 860 O SER A 58 6.403 0.491 -0.348 1.00 0.00 O ATOM 861 CB SER A 58 7.209 2.394 -2.273 1.00 0.00 C ATOM 862 OG SER A 58 8.072 3.191 -3.066 1.00 0.00 O ATOM 0 H SER A 58 6.658 1.023 -4.321 1.00 0.00 H new ATOM 0 HA SER A 58 8.586 0.748 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.174 2.570 -2.566 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.298 2.686 -1.227 1.00 0.00 H new ATOM 0 HG SER A 58 7.671 4.075 -3.198 1.00 0.00 H new ATOM 868 N VAL A 59 6.233 -1.079 -1.951 1.00 0.00 N ATOM 869 CA VAL A 59 5.395 -1.963 -1.150 1.00 0.00 C ATOM 870 C VAL A 59 5.515 -3.409 -1.618 1.00 0.00 C ATOM 871 O VAL A 59 5.887 -3.672 -2.761 1.00 0.00 O ATOM 872 CB VAL A 59 3.915 -1.538 -1.208 1.00 0.00 C ATOM 873 CG1 VAL A 59 3.722 -0.183 -0.544 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.426 -1.509 -2.648 1.00 0.00 C ATOM 0 H VAL A 59 6.445 -1.431 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 59 5.748 -1.887 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 59 3.322 -2.272 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.671 0.101 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.032 -0.242 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.325 0.564 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.379 -1.207 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.021 -0.798 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.527 -2.502 -3.087 1.00 0.00 H new ATOM 884 N GLU A 60 5.197 -4.342 -0.727 1.00 0.00 N ATOM 885 CA GLU A 60 5.271 -5.762 -1.050 1.00 0.00 C ATOM 886 C GLU A 60 3.979 -6.476 -0.662 1.00 0.00 C ATOM 887 O GLU A 60 3.467 -6.300 0.444 1.00 0.00 O ATOM 888 CB GLU A 60 6.459 -6.410 -0.335 1.00 0.00 C ATOM 889 CG GLU A 60 7.750 -6.362 -1.135 1.00 0.00 C ATOM 890 CD GLU A 60 7.568 -6.832 -2.565 1.00 0.00 C ATOM 891 OE1 GLU A 60 7.152 -7.994 -2.758 1.00 0.00 O ATOM 892 OE2 GLU A 60 7.843 -6.040 -3.490 1.00 0.00 O ATOM 0 H GLU A 60 4.886 -4.141 0.223 1.00 0.00 H new ATOM 0 HA GLU A 60 5.409 -5.856 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.615 -5.909 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.217 -7.450 -0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.133 -5.342 -1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.500 -6.983 -0.645 1.00 0.00 H new ATOM 899 N VAL A 61 3.456 -7.282 -1.580 1.00 0.00 N ATOM 900 CA VAL A 61 2.224 -8.023 -1.335 1.00 0.00 C ATOM 901 C VAL A 61 2.497 -9.293 -0.537 1.00 0.00 C ATOM 902 O VAL A 61 1.641 -10.174 -0.440 1.00 0.00 O ATOM 903 CB VAL A 61 1.524 -8.399 -2.654 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.094 -8.846 -2.391 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.555 -7.230 -3.626 1.00 0.00 C ATOM 0 H VAL A 61 3.866 -7.439 -2.501 1.00 0.00 H new ATOM 0 HA VAL A 61 1.570 -7.369 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 61 2.063 -9.232 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.385 -9.108 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.100 -9.715 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.459 -8.036 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.056 -7.514 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.042 -6.376 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.590 -6.961 -3.839 1.00 0.00 H new ATOM 915 N ILE A 62 3.694 -9.381 0.034 1.00 0.00 N ATOM 916 CA ILE A 62 4.078 -10.543 0.825 1.00 0.00 C ATOM 917 C ILE A 62 3.336 -10.572 2.157 1.00 0.00 C ATOM 918 O ILE A 62 3.198 -11.624 2.781 1.00 0.00 O ATOM 919 CB ILE A 62 5.594 -10.564 1.095 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.003 -9.348 1.929 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.365 -10.597 -0.216 1.00 0.00 C ATOM 922 CD1 ILE A 62 5.948 -9.592 3.421 1.00 0.00 C ATOM 0 H ILE A 62 4.414 -8.662 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 62 3.808 -11.424 0.242 1.00 0.00 H new ATOM 0 HB ILE A 62 5.835 -11.465 1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.016 -9.053 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.349 -8.511 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.435 -10.612 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.092 -11.491 -0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.121 -9.712 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.251 -8.688 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.931 -9.857 3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.623 -10.407 3.681 1.00 0.00 H new