USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 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 26 ASN : amide:sc= -2.3! C(o=-6.7!,f=-8.9!) USER MOD Set 1.2: A 35 ASN : amide:sc= -4.42! C(o=-6.7!,f=-8.3!) USER MOD Single : A 12 TYR OH : rot -40:sc= -1.2 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -119:sc= -0.721 (180deg=-2.47!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 71:sc= -1.09 USER MOD Single : A 39 THR OG1 : rot 140:sc= 0.533 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0786 USER MOD Single : A 49 SER OG : rot 87:sc= 1.65 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.77 K(o=-3.8,f=-5.9!) USER MOD Single : A 57 GLN : amide:sc= -0.874 K(o=-0.87,f=-4.8!) USER MOD Single : A 61 MET CE :methyl -162:sc= -0.441 (180deg=-1.57!) USER MOD Single : A 63 SER OG : rot 69:sc= 0.223 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.32) USER MOD Single : A 79 SER OG : rot 180:sc= -0.625 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.2!) USER MOD Single : A 89 ASN : amide:sc= -2.22! C(o=-2.2!,f=-2.4!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.794 USER MOD Single : A 99 TYR OH : rot -123:sc= -0.408 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -6.975 -0.760 5.288 1.00 0.00 N ATOM 67 CA LEU A 8 -6.633 -1.673 4.211 1.00 0.00 C ATOM 68 C LEU A 8 -7.728 -1.628 3.143 1.00 0.00 C ATOM 69 O LEU A 8 -7.457 -1.316 1.984 1.00 0.00 O ATOM 70 CB LEU A 8 -6.369 -3.076 4.761 1.00 0.00 C ATOM 71 CG LEU A 8 -5.254 -3.189 5.802 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.232 -4.582 6.434 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.899 -2.813 5.199 1.00 0.00 C ATOM 0 HA LEU A 8 -5.705 -1.364 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.292 -3.451 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.127 -3.733 3.925 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.460 -2.476 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.430 -4.635 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.187 -4.775 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.063 -5.330 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.124 -2.902 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.671 -3.483 4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.935 -1.786 4.836 1.00 0.00 H new ATOM 85 N GLY A 9 -8.941 -1.944 3.571 1.00 0.00 N ATOM 86 CA GLY A 9 -10.078 -1.943 2.666 1.00 0.00 C ATOM 87 C GLY A 9 -9.970 -0.803 1.651 1.00 0.00 C ATOM 88 O GLY A 9 -9.705 -1.038 0.474 1.00 0.00 O ATOM 0 H GLY A 9 -9.162 -2.203 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.131 -2.897 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.001 -1.841 3.236 1.00 0.00 H new ATOM 92 N ALA A 10 -10.182 0.408 2.146 1.00 0.00 N ATOM 93 CA ALA A 10 -10.112 1.586 1.297 1.00 0.00 C ATOM 94 C ALA A 10 -8.896 1.473 0.375 1.00 0.00 C ATOM 95 O ALA A 10 -8.999 1.714 -0.827 1.00 0.00 O ATOM 96 CB ALA A 10 -10.068 2.842 2.169 1.00 0.00 C ATOM 0 H ALA A 10 -10.402 0.599 3.123 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.998 1.658 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.015 3.725 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.967 2.890 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.190 2.807 2.814 1.00 0.00 H new ATOM 102 N LEU A 11 -7.772 1.106 0.973 1.00 0.00 N ATOM 103 CA LEU A 11 -6.538 0.959 0.221 1.00 0.00 C ATOM 104 C LEU A 11 -6.743 -0.073 -0.890 1.00 0.00 C ATOM 105 O LEU A 11 -6.513 0.217 -2.063 1.00 0.00 O ATOM 106 CB LEU A 11 -5.374 0.630 1.159 1.00 0.00 C ATOM 107 CG LEU A 11 -4.499 -0.556 0.751 1.00 0.00 C ATOM 108 CD1 LEU A 11 -3.753 -0.265 -0.552 1.00 0.00 C ATOM 109 CD2 LEU A 11 -3.545 -0.948 1.882 1.00 0.00 C ATOM 0 H LEU A 11 -7.690 0.906 1.970 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.272 1.899 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.740 1.512 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.778 0.433 2.152 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.149 -1.411 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.138 -1.125 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.472 -0.072 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.116 0.609 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.934 -1.794 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.899 -0.104 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.121 -1.226 2.764 1.00 0.00 H new ATOM 121 N TYR A 12 -7.173 -1.258 -0.481 1.00 0.00 N ATOM 122 CA TYR A 12 -7.411 -2.335 -1.426 1.00 0.00 C ATOM 123 C TYR A 12 -8.334 -1.877 -2.558 1.00 0.00 C ATOM 124 O TYR A 12 -8.065 -2.141 -3.729 1.00 0.00 O ATOM 125 CB TYR A 12 -8.106 -3.445 -0.635 1.00 0.00 C ATOM 126 CG TYR A 12 -8.572 -4.623 -1.493 1.00 0.00 C ATOM 127 CD1 TYR A 12 -7.698 -5.221 -2.378 1.00 0.00 C ATOM 128 CD2 TYR A 12 -9.867 -5.087 -1.383 1.00 0.00 C ATOM 129 CE1 TYR A 12 -8.136 -6.329 -3.185 1.00 0.00 C ATOM 130 CE2 TYR A 12 -10.305 -6.196 -2.190 1.00 0.00 C ATOM 131 CZ TYR A 12 -9.418 -6.762 -3.052 1.00 0.00 C ATOM 132 OH TYR A 12 -9.833 -7.809 -3.815 1.00 0.00 O ATOM 0 H TYR A 12 -7.363 -1.495 0.493 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.474 -2.665 -1.875 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.423 -3.814 0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.967 -3.023 -0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.685 -4.857 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.552 -4.618 -0.692 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.462 -6.806 -3.881 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.315 -6.570 -2.113 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.463 -7.722 -4.718 1.00 0.00 H new ATOM 142 N LEU A 13 -9.404 -1.199 -2.168 1.00 0.00 N ATOM 143 CA LEU A 13 -10.368 -0.702 -3.135 1.00 0.00 C ATOM 144 C LEU A 13 -9.636 0.105 -4.209 1.00 0.00 C ATOM 145 O LEU A 13 -10.019 0.079 -5.378 1.00 0.00 O ATOM 146 CB LEU A 13 -11.479 0.079 -2.430 1.00 0.00 C ATOM 147 CG LEU A 13 -12.542 -0.762 -1.719 1.00 0.00 C ATOM 148 CD1 LEU A 13 -13.473 0.122 -0.886 1.00 0.00 C ATOM 149 CD2 LEU A 13 -13.314 -1.627 -2.717 1.00 0.00 C ATOM 0 H LEU A 13 -9.624 -0.982 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.863 -1.531 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.020 0.744 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.976 0.710 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.038 -1.439 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.219 -0.500 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.891 0.657 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.973 0.839 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.063 -2.215 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.807 -0.987 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.623 -2.297 -3.229 1.00 0.00 H new ATOM 161 N SER A 14 -8.597 0.803 -3.775 1.00 0.00 N ATOM 162 CA SER A 14 -7.809 1.616 -4.686 1.00 0.00 C ATOM 163 C SER A 14 -7.016 0.717 -5.637 1.00 0.00 C ATOM 164 O SER A 14 -7.018 0.934 -6.848 1.00 0.00 O ATOM 165 CB SER A 14 -6.862 2.541 -3.919 1.00 0.00 C ATOM 166 OG SER A 14 -7.219 3.913 -4.070 1.00 0.00 O ATOM 0 H SER A 14 -8.282 0.822 -2.805 1.00 0.00 H new ATOM 0 HA SER A 14 -8.491 2.237 -5.267 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.875 2.277 -2.862 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.842 2.390 -4.273 1.00 0.00 H new ATOM 0 HG SER A 14 -6.592 4.472 -3.565 1.00 0.00 H new ATOM 172 N MET A 15 -6.358 -0.274 -5.054 1.00 0.00 N ATOM 173 CA MET A 15 -5.563 -1.207 -5.834 1.00 0.00 C ATOM 174 C MET A 15 -6.372 -1.772 -7.003 1.00 0.00 C ATOM 175 O MET A 15 -5.803 -2.265 -7.976 1.00 0.00 O ATOM 176 CB MET A 15 -5.094 -2.354 -4.937 1.00 0.00 C ATOM 177 CG MET A 15 -4.105 -1.854 -3.881 1.00 0.00 C ATOM 178 SD MET A 15 -3.749 -3.156 -2.714 1.00 0.00 S ATOM 179 CE MET A 15 -1.977 -3.265 -2.903 1.00 0.00 C ATOM 0 H MET A 15 -6.359 -0.451 -4.050 1.00 0.00 H new ATOM 0 HA MET A 15 -4.702 -0.673 -6.236 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.953 -2.813 -4.448 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.623 -3.127 -5.545 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.184 -1.523 -4.361 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.521 -0.991 -3.360 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.709 -4.262 -3.251 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.642 -2.525 -3.630 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.496 -3.074 -1.943 1.00 0.00 H new ATOM 189 N LYS A 16 -7.687 -1.682 -6.870 1.00 0.00 N ATOM 190 CA LYS A 16 -8.580 -2.178 -7.903 1.00 0.00 C ATOM 191 C LYS A 16 -8.546 -1.227 -9.101 1.00 0.00 C ATOM 192 O LYS A 16 -8.650 -1.662 -10.247 1.00 0.00 O ATOM 193 CB LYS A 16 -9.984 -2.402 -7.336 1.00 0.00 C ATOM 194 CG LYS A 16 -9.958 -3.419 -6.193 1.00 0.00 C ATOM 195 CD LYS A 16 -11.213 -4.294 -6.208 1.00 0.00 C ATOM 196 CE LYS A 16 -12.367 -3.609 -5.474 1.00 0.00 C ATOM 197 NZ LYS A 16 -13.323 -3.024 -6.441 1.00 0.00 N ATOM 0 H LYS A 16 -8.156 -1.273 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.246 -3.152 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.390 -1.456 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.647 -2.754 -8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.072 -4.047 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.886 -2.897 -5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.504 -4.501 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.997 -5.254 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.880 -4.330 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.978 -2.828 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.100 -2.563 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.834 -2.321 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.708 -3.776 -7.047 1.00 0.00 H new ATOM 211 N ASP A 17 -8.398 0.053 -8.795 1.00 0.00 N ATOM 212 CA ASP A 17 -8.348 1.070 -9.832 1.00 0.00 C ATOM 213 C ASP A 17 -7.142 0.810 -10.737 1.00 0.00 C ATOM 214 O ASP A 17 -6.001 0.843 -10.281 1.00 0.00 O ATOM 215 CB ASP A 17 -8.193 2.467 -9.228 1.00 0.00 C ATOM 216 CG ASP A 17 -8.935 3.579 -9.972 1.00 0.00 C ATOM 217 OD1 ASP A 17 -8.618 3.773 -11.165 1.00 0.00 O ATOM 218 OD2 ASP A 17 -9.803 4.210 -9.330 1.00 0.00 O ATOM 0 H ASP A 17 -8.311 0.410 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.280 1.023 -10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.546 2.442 -8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.133 2.717 -9.196 1.00 0.00 H new ATOM 223 N PRO A 18 -7.445 0.550 -12.037 1.00 0.00 N ATOM 224 CA PRO A 18 -6.399 0.284 -13.011 1.00 0.00 C ATOM 225 C PRO A 18 -5.673 1.573 -13.401 1.00 0.00 C ATOM 226 O PRO A 18 -4.727 1.544 -14.186 1.00 0.00 O ATOM 227 CB PRO A 18 -7.109 -0.376 -14.181 1.00 0.00 C ATOM 228 CG PRO A 18 -8.582 -0.036 -14.021 1.00 0.00 C ATOM 229 CD PRO A 18 -8.785 0.502 -12.614 1.00 0.00 C ATOM 0 HA PRO A 18 -5.616 -0.366 -12.621 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.724 -0.005 -15.131 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.954 -1.455 -14.173 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.885 0.705 -14.761 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.198 -0.920 -14.184 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.244 1.490 -12.631 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.443 -0.145 -12.034 1.00 0.00 H new ATOM 237 N GLU A 19 -6.145 2.675 -12.835 1.00 0.00 N ATOM 238 CA GLU A 19 -5.552 3.972 -13.114 1.00 0.00 C ATOM 239 C GLU A 19 -5.053 4.617 -11.820 1.00 0.00 C ATOM 240 O GLU A 19 -3.894 5.018 -11.729 1.00 0.00 O ATOM 241 CB GLU A 19 -6.547 4.885 -13.834 1.00 0.00 C ATOM 242 CG GLU A 19 -6.447 4.716 -15.351 1.00 0.00 C ATOM 243 CD GLU A 19 -6.758 6.030 -16.071 1.00 0.00 C ATOM 244 OE1 GLU A 19 -7.876 6.546 -15.852 1.00 0.00 O ATOM 245 OE2 GLU A 19 -5.871 6.490 -16.823 1.00 0.00 O ATOM 0 H GLU A 19 -6.931 2.696 -12.185 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.698 3.825 -13.776 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.560 4.656 -13.505 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.352 5.924 -13.567 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.445 4.379 -15.618 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.141 3.943 -15.681 1.00 0.00 H new ATOM 252 N LYS A 20 -5.953 4.697 -10.851 1.00 0.00 N ATOM 253 CA LYS A 20 -5.619 5.287 -9.566 1.00 0.00 C ATOM 254 C LYS A 20 -5.263 4.175 -8.576 1.00 0.00 C ATOM 255 O LYS A 20 -5.351 4.367 -7.365 1.00 0.00 O ATOM 256 CB LYS A 20 -6.748 6.200 -9.085 1.00 0.00 C ATOM 257 CG LYS A 20 -6.837 7.462 -9.945 1.00 0.00 C ATOM 258 CD LYS A 20 -6.340 8.687 -9.175 1.00 0.00 C ATOM 259 CE LYS A 20 -4.824 8.839 -9.304 1.00 0.00 C ATOM 260 NZ LYS A 20 -4.181 8.778 -7.972 1.00 0.00 N ATOM 0 H LYS A 20 -6.913 4.363 -10.930 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.741 5.926 -9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.696 5.663 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.579 6.476 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.244 7.332 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.869 7.620 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.832 9.583 -9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.611 8.594 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.427 8.050 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.587 9.788 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.152 8.883 -8.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.547 9.546 -7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.391 7.862 -7.527 1.00 0.00 H new ATOM 274 N GLY A 21 -4.869 3.038 -9.130 1.00 0.00 N ATOM 275 CA GLY A 21 -4.499 1.896 -8.312 1.00 0.00 C ATOM 276 C GLY A 21 -3.301 1.157 -8.910 1.00 0.00 C ATOM 277 O GLY A 21 -2.520 1.739 -9.661 1.00 0.00 O ATOM 0 H GLY A 21 -4.798 2.883 -10.136 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.258 2.230 -7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.346 1.215 -8.228 1.00 0.00 H new ATOM 281 N ILE A 22 -3.193 -0.115 -8.556 1.00 0.00 N ATOM 282 CA ILE A 22 -2.103 -0.940 -9.048 1.00 0.00 C ATOM 283 C ILE A 22 -2.291 -1.184 -10.547 1.00 0.00 C ATOM 284 O ILE A 22 -3.399 -1.054 -11.067 1.00 0.00 O ATOM 285 CB ILE A 22 -1.989 -2.225 -8.225 1.00 0.00 C ATOM 286 CG1 ILE A 22 -0.685 -2.249 -7.425 1.00 0.00 C ATOM 287 CG2 ILE A 22 -2.139 -3.461 -9.115 1.00 0.00 C ATOM 288 CD1 ILE A 22 -0.692 -3.385 -6.400 1.00 0.00 C ATOM 0 H ILE A 22 -3.843 -0.595 -7.934 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.150 -0.425 -8.925 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.808 -2.245 -7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.160 -2.371 -8.103 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.549 -1.295 -6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.054 -4.361 -8.506 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.114 -3.443 -9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.356 -3.461 -9.873 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.246 -3.380 -5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.523 -3.246 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.804 -4.339 -6.915 1.00 0.00 H new ATOM 300 N LYS A 23 -1.193 -1.534 -11.200 1.00 0.00 N ATOM 301 CA LYS A 23 -1.223 -1.798 -12.628 1.00 0.00 C ATOM 302 C LYS A 23 -1.704 -3.230 -12.868 1.00 0.00 C ATOM 303 O LYS A 23 -2.058 -3.936 -11.925 1.00 0.00 O ATOM 304 CB LYS A 23 0.138 -1.493 -13.258 1.00 0.00 C ATOM 305 CG LYS A 23 0.150 -0.098 -13.888 1.00 0.00 C ATOM 306 CD LYS A 23 -0.393 -0.138 -15.318 1.00 0.00 C ATOM 307 CE LYS A 23 -0.517 1.273 -15.897 1.00 0.00 C ATOM 308 NZ LYS A 23 0.275 1.394 -17.142 1.00 0.00 N ATOM 0 H LYS A 23 -0.276 -1.641 -10.766 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.933 -1.136 -13.123 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.917 -1.560 -12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.367 -2.241 -14.017 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.452 0.582 -13.285 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.167 0.294 -13.892 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.268 -0.736 -15.945 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.368 -0.626 -15.327 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.564 1.498 -16.102 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.171 2.004 -15.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.180 2.358 -17.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.276 1.200 -16.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.074 0.710 -17.843 1.00 0.00 H new ATOM 322 N GLU A 24 -1.702 -3.617 -14.135 1.00 0.00 N ATOM 323 CA GLU A 24 -2.134 -4.952 -14.511 1.00 0.00 C ATOM 324 C GLU A 24 -1.440 -5.391 -15.802 1.00 0.00 C ATOM 325 O GLU A 24 -1.816 -4.959 -16.891 1.00 0.00 O ATOM 326 CB GLU A 24 -3.656 -5.016 -14.658 1.00 0.00 C ATOM 327 CG GLU A 24 -4.350 -4.561 -13.372 1.00 0.00 C ATOM 328 CD GLU A 24 -5.837 -4.918 -13.397 1.00 0.00 C ATOM 329 OE1 GLU A 24 -6.596 -4.147 -14.023 1.00 0.00 O ATOM 330 OE2 GLU A 24 -6.182 -5.954 -12.788 1.00 0.00 O ATOM 0 H GLU A 24 -1.408 -3.029 -14.915 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.850 -5.641 -13.716 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.972 -4.385 -15.489 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.959 -6.035 -14.898 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.874 -5.031 -12.511 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.233 -3.484 -13.253 1.00 0.00 H new ATOM 337 N LEU A 25 -0.440 -6.244 -15.638 1.00 0.00 N ATOM 338 CA LEU A 25 0.310 -6.746 -16.777 1.00 0.00 C ATOM 339 C LEU A 25 0.241 -8.275 -16.794 1.00 0.00 C ATOM 340 O LEU A 25 -0.082 -8.896 -15.783 1.00 0.00 O ATOM 341 CB LEU A 25 1.738 -6.196 -16.763 1.00 0.00 C ATOM 342 CG LEU A 25 1.874 -4.691 -16.523 1.00 0.00 C ATOM 343 CD1 LEU A 25 1.033 -3.897 -17.525 1.00 0.00 C ATOM 344 CD2 LEU A 25 1.530 -4.333 -15.076 1.00 0.00 C ATOM 0 H LEU A 25 -0.131 -6.600 -14.734 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.133 -6.395 -17.709 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.300 -6.720 -15.990 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.208 -6.436 -17.717 1.00 0.00 H new ATOM 0 HG LEU A 25 2.915 -4.413 -16.685 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.148 -2.830 -17.332 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.367 -4.120 -18.538 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.016 -4.174 -17.420 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.635 -3.258 -14.932 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.503 -4.629 -14.862 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.207 -4.857 -14.401 1.00 0.00 H new ATOM 356 N ASN A 26 0.549 -8.836 -17.954 1.00 0.00 N ATOM 357 CA ASN A 26 0.525 -10.280 -18.117 1.00 0.00 C ATOM 358 C ASN A 26 1.945 -10.829 -17.964 1.00 0.00 C ATOM 359 O ASN A 26 2.834 -10.486 -18.741 1.00 0.00 O ATOM 360 CB ASN A 26 0.014 -10.670 -19.505 1.00 0.00 C ATOM 361 CG ASN A 26 -1.184 -9.809 -19.910 1.00 0.00 C ATOM 362 OD1 ASN A 26 -2.333 -10.176 -19.733 1.00 0.00 O ATOM 363 ND2 ASN A 26 -0.852 -8.645 -20.463 1.00 0.00 N ATOM 0 H ASN A 26 0.817 -8.317 -18.790 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.140 -10.694 -17.359 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.814 -10.554 -20.237 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.272 -11.722 -19.509 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.580 -7.999 -20.768 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.131 -8.399 -20.582 1.00 0.00 H new ATOM 370 N LEU A 27 2.113 -11.673 -16.956 1.00 0.00 N ATOM 371 CA LEU A 27 3.410 -12.273 -16.692 1.00 0.00 C ATOM 372 C LEU A 27 3.358 -13.762 -17.039 1.00 0.00 C ATOM 373 O LEU A 27 2.582 -14.514 -16.451 1.00 0.00 O ATOM 374 CB LEU A 27 3.847 -11.992 -15.252 1.00 0.00 C ATOM 375 CG LEU A 27 3.849 -10.522 -14.827 1.00 0.00 C ATOM 376 CD1 LEU A 27 3.457 -10.376 -13.356 1.00 0.00 C ATOM 377 CD2 LEU A 27 5.198 -9.867 -15.128 1.00 0.00 C ATOM 0 H LEU A 27 1.373 -11.955 -16.313 1.00 0.00 H new ATOM 0 HA LEU A 27 4.174 -11.824 -17.326 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.190 -12.543 -14.580 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.852 -12.391 -15.114 1.00 0.00 H new ATOM 0 HG LEU A 27 3.097 -9.995 -15.414 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.466 -9.322 -13.080 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.457 -10.782 -13.204 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.168 -10.920 -12.734 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.173 -8.823 -14.817 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.985 -10.389 -14.584 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.398 -9.922 -16.198 1.00 0.00 H new ATOM 482 N VAL A 33 -0.005 -17.785 -18.318 1.00 0.00 N ATOM 483 CA VAL A 33 -0.264 -16.411 -18.712 1.00 0.00 C ATOM 484 C VAL A 33 -1.153 -15.742 -17.661 1.00 0.00 C ATOM 485 O VAL A 33 -2.354 -15.580 -17.871 1.00 0.00 O ATOM 486 CB VAL A 33 -0.869 -16.374 -20.117 1.00 0.00 C ATOM 487 CG1 VAL A 33 -1.321 -14.959 -20.482 1.00 0.00 C ATOM 488 CG2 VAL A 33 0.117 -16.919 -21.152 1.00 0.00 C ATOM 0 HA VAL A 33 0.667 -15.846 -18.758 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.749 -17.018 -20.121 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.747 -14.961 -21.485 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.073 -14.622 -19.769 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.465 -14.285 -20.452 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.337 -16.882 -22.142 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.023 -16.313 -21.145 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.369 -17.951 -20.907 1.00 0.00 H new ATOM 498 N PHE A 34 -0.528 -15.372 -16.553 1.00 0.00 N ATOM 499 CA PHE A 34 -1.248 -14.725 -15.469 1.00 0.00 C ATOM 500 C PHE A 34 -1.651 -13.300 -15.853 1.00 0.00 C ATOM 501 O PHE A 34 -0.828 -12.387 -15.816 1.00 0.00 O ATOM 502 CB PHE A 34 -0.296 -14.668 -14.272 1.00 0.00 C ATOM 503 CG PHE A 34 0.132 -16.042 -13.752 1.00 0.00 C ATOM 504 CD1 PHE A 34 -0.782 -16.865 -13.173 1.00 0.00 C ATOM 505 CD2 PHE A 34 1.428 -16.439 -13.868 1.00 0.00 C ATOM 506 CE1 PHE A 34 -0.385 -18.140 -12.690 1.00 0.00 C ATOM 507 CE2 PHE A 34 1.825 -17.714 -13.385 1.00 0.00 C ATOM 508 CZ PHE A 34 0.911 -18.537 -12.807 1.00 0.00 C ATOM 0 H PHE A 34 0.468 -15.508 -16.382 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.157 -15.282 -15.240 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.593 -14.105 -14.554 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.778 -14.119 -13.463 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.811 -16.549 -13.080 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.154 -15.785 -14.327 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.111 -18.794 -12.230 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.854 -18.030 -13.477 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.214 -19.507 -12.440 1.00 0.00 H new ATOM 518 N ASN A 35 -2.918 -13.155 -16.212 1.00 0.00 N ATOM 519 CA ASN A 35 -3.441 -11.857 -16.602 1.00 0.00 C ATOM 520 C ASN A 35 -3.981 -11.136 -15.365 1.00 0.00 C ATOM 521 O ASN A 35 -4.306 -11.773 -14.364 1.00 0.00 O ATOM 522 CB ASN A 35 -4.590 -12.003 -17.602 1.00 0.00 C ATOM 523 CG ASN A 35 -4.136 -12.762 -18.851 1.00 0.00 C ATOM 524 OD1 ASN A 35 -3.900 -13.959 -18.830 1.00 0.00 O ATOM 525 ND2 ASN A 35 -4.028 -12.001 -19.936 1.00 0.00 N ATOM 0 H ASN A 35 -3.598 -13.915 -16.241 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.630 -11.293 -17.063 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.420 -12.531 -17.133 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.958 -11.017 -17.885 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.732 -12.413 -20.821 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.241 -11.005 -19.884 1.00 0.00 H new ATOM 532 N HIS A 36 -4.059 -9.818 -15.474 1.00 0.00 N ATOM 533 CA HIS A 36 -4.553 -9.004 -14.377 1.00 0.00 C ATOM 534 C HIS A 36 -3.980 -9.521 -13.056 1.00 0.00 C ATOM 535 O HIS A 36 -4.722 -9.756 -12.103 1.00 0.00 O ATOM 536 CB HIS A 36 -6.082 -8.956 -14.382 1.00 0.00 C ATOM 537 CG HIS A 36 -6.683 -8.660 -15.735 1.00 0.00 C ATOM 538 ND1 HIS A 36 -6.705 -7.390 -16.284 1.00 0.00 N ATOM 539 CD2 HIS A 36 -7.282 -9.483 -16.643 1.00 0.00 C ATOM 540 CE1 HIS A 36 -7.293 -7.457 -17.469 1.00 0.00 C ATOM 541 NE2 HIS A 36 -7.651 -8.755 -17.690 1.00 0.00 N ATOM 0 H HIS A 36 -3.788 -9.293 -16.306 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.215 -7.975 -14.502 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.466 -9.912 -14.026 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.414 -8.196 -13.674 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.431 -10.547 -16.529 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.460 -6.629 -18.142 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.124 -9.108 -18.522 1.00 0.00 H new ATOM 549 N CYS A 37 -2.666 -9.684 -13.041 1.00 0.00 N ATOM 550 CA CYS A 37 -1.985 -10.170 -11.852 1.00 0.00 C ATOM 551 C CYS A 37 -0.927 -9.140 -11.450 1.00 0.00 C ATOM 552 O CYS A 37 -0.530 -8.304 -12.261 1.00 0.00 O ATOM 553 CB CYS A 37 -1.376 -11.556 -12.075 1.00 0.00 C ATOM 554 SG CYS A 37 -2.705 -12.805 -12.228 1.00 0.00 S ATOM 0 H CYS A 37 -2.054 -9.488 -13.833 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.704 -10.288 -11.041 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.763 -11.552 -12.976 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.719 -11.812 -11.244 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.329 -12.639 -13.356 1.00 0.00 H new ATOM 560 N LEU A 38 -0.500 -9.235 -10.200 1.00 0.00 N ATOM 561 CA LEU A 38 0.504 -8.322 -9.680 1.00 0.00 C ATOM 562 C LEU A 38 1.733 -9.119 -9.241 1.00 0.00 C ATOM 563 O LEU A 38 2.012 -10.187 -9.785 1.00 0.00 O ATOM 564 CB LEU A 38 -0.089 -7.447 -8.574 1.00 0.00 C ATOM 565 CG LEU A 38 -1.608 -7.270 -8.600 1.00 0.00 C ATOM 566 CD1 LEU A 38 -2.117 -6.698 -7.275 1.00 0.00 C ATOM 567 CD2 LEU A 38 -2.041 -6.419 -9.795 1.00 0.00 C ATOM 0 H LEU A 38 -0.831 -9.931 -9.531 1.00 0.00 H new ATOM 0 HA LEU A 38 0.832 -7.633 -10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.190 -7.874 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.373 -6.461 -8.631 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.063 -8.253 -8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.200 -6.582 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.859 -7.377 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.656 -5.727 -7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.125 -6.309 -9.789 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.576 -5.435 -9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.730 -6.905 -10.720 1.00 0.00 H new ATOM 579 N THR A 39 2.437 -8.570 -8.262 1.00 0.00 N ATOM 580 CA THR A 39 3.630 -9.217 -7.744 1.00 0.00 C ATOM 581 C THR A 39 4.142 -8.478 -6.505 1.00 0.00 C ATOM 582 O THR A 39 3.987 -7.263 -6.395 1.00 0.00 O ATOM 583 CB THR A 39 4.657 -9.290 -8.875 1.00 0.00 C ATOM 584 OG1 THR A 39 5.478 -10.403 -8.528 1.00 0.00 O ATOM 585 CG2 THR A 39 5.620 -8.101 -8.870 1.00 0.00 C ATOM 0 H THR A 39 2.204 -7.684 -7.814 1.00 0.00 H new ATOM 0 HA THR A 39 3.417 -10.233 -7.413 1.00 0.00 H new ATOM 0 HB THR A 39 4.139 -9.333 -9.833 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.695 -10.914 -9.336 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.328 -8.203 -9.693 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.056 -7.176 -8.988 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.163 -8.077 -7.925 1.00 0.00 H new ATOM 593 N GLY A 40 4.742 -9.243 -5.605 1.00 0.00 N ATOM 594 CA GLY A 40 5.277 -8.676 -4.379 1.00 0.00 C ATOM 595 C GLY A 40 5.874 -7.290 -4.631 1.00 0.00 C ATOM 596 O GLY A 40 5.501 -6.321 -3.971 1.00 0.00 O ATOM 0 H GLY A 40 4.869 -10.251 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.487 -8.605 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.042 -9.337 -3.972 1.00 0.00 H new ATOM 600 N SER A 41 6.790 -7.240 -5.586 1.00 0.00 N ATOM 601 CA SER A 41 7.442 -5.988 -5.933 1.00 0.00 C ATOM 602 C SER A 41 6.401 -4.966 -6.392 1.00 0.00 C ATOM 603 O SER A 41 6.072 -4.036 -5.657 1.00 0.00 O ATOM 604 CB SER A 41 8.495 -6.199 -7.022 1.00 0.00 C ATOM 605 OG SER A 41 8.786 -4.994 -7.724 1.00 0.00 O ATOM 0 H SER A 41 7.097 -8.046 -6.131 1.00 0.00 H new ATOM 0 HA SER A 41 7.948 -5.608 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.409 -6.586 -6.572 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.142 -6.953 -7.726 1.00 0.00 H new ATOM 0 HG SER A 41 9.464 -5.170 -8.409 1.00 0.00 H new ATOM 611 N GLY A 42 5.911 -5.172 -7.606 1.00 0.00 N ATOM 612 CA GLY A 42 4.913 -4.280 -8.172 1.00 0.00 C ATOM 613 C GLY A 42 3.948 -3.782 -7.094 1.00 0.00 C ATOM 614 O GLY A 42 3.654 -2.590 -7.022 1.00 0.00 O ATOM 0 H GLY A 42 6.187 -5.944 -8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.406 -3.430 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.356 -4.800 -8.952 1.00 0.00 H new ATOM 618 N VAL A 43 3.483 -4.720 -6.282 1.00 0.00 N ATOM 619 CA VAL A 43 2.557 -4.392 -5.211 1.00 0.00 C ATOM 620 C VAL A 43 3.165 -3.294 -4.337 1.00 0.00 C ATOM 621 O VAL A 43 2.634 -2.186 -4.265 1.00 0.00 O ATOM 622 CB VAL A 43 2.199 -5.654 -4.424 1.00 0.00 C ATOM 623 CG1 VAL A 43 1.440 -5.303 -3.143 1.00 0.00 C ATOM 624 CG2 VAL A 43 1.396 -6.629 -5.288 1.00 0.00 C ATOM 0 H VAL A 43 3.730 -5.708 -6.344 1.00 0.00 H new ATOM 0 HA VAL A 43 1.623 -4.004 -5.618 1.00 0.00 H new ATOM 0 HB VAL A 43 3.128 -6.147 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.197 -6.217 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.061 -4.664 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.520 -4.777 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.154 -7.518 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.474 -6.149 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.987 -6.916 -6.158 1.00 0.00 H new ATOM 634 N ILE A 44 4.271 -3.639 -3.692 1.00 0.00 N ATOM 635 CA ILE A 44 4.956 -2.696 -2.825 1.00 0.00 C ATOM 636 C ILE A 44 5.341 -1.454 -3.632 1.00 0.00 C ATOM 637 O ILE A 44 5.266 -0.334 -3.127 1.00 0.00 O ATOM 638 CB ILE A 44 6.142 -3.370 -2.132 1.00 0.00 C ATOM 639 CG1 ILE A 44 5.691 -4.607 -1.353 1.00 0.00 C ATOM 640 CG2 ILE A 44 6.896 -2.378 -1.245 1.00 0.00 C ATOM 641 CD1 ILE A 44 6.878 -5.519 -1.037 1.00 0.00 C ATOM 0 H ILE A 44 4.709 -4.558 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 44 4.294 -2.364 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 44 6.838 -3.708 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.206 -4.301 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.950 -5.157 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.734 -2.883 -0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.270 -1.556 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.223 -1.987 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.530 -6.391 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.345 -5.843 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.606 -4.974 -0.436 1.00 0.00 H new ATOM 653 N ASP A 45 5.743 -1.693 -4.871 1.00 0.00 N ATOM 654 CA ASP A 45 6.139 -0.608 -5.752 1.00 0.00 C ATOM 655 C ASP A 45 5.026 0.441 -5.794 1.00 0.00 C ATOM 656 O ASP A 45 5.298 1.640 -5.773 1.00 0.00 O ATOM 657 CB ASP A 45 6.368 -1.112 -7.178 1.00 0.00 C ATOM 658 CG ASP A 45 7.197 -0.182 -8.067 1.00 0.00 C ATOM 659 OD1 ASP A 45 6.824 1.008 -8.146 1.00 0.00 O ATOM 660 OD2 ASP A 45 8.184 -0.683 -8.648 1.00 0.00 O ATOM 0 H ASP A 45 5.803 -2.623 -5.286 1.00 0.00 H new ATOM 0 HA ASP A 45 7.066 -0.182 -5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.864 -2.081 -7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.399 -1.273 -7.650 1.00 0.00 H new ATOM 665 N TRP A 46 3.797 -0.050 -5.853 1.00 0.00 N ATOM 666 CA TRP A 46 2.641 0.830 -5.898 1.00 0.00 C ATOM 667 C TRP A 46 2.572 1.589 -4.571 1.00 0.00 C ATOM 668 O TRP A 46 2.253 2.776 -4.546 1.00 0.00 O ATOM 669 CB TRP A 46 1.365 0.044 -6.205 1.00 0.00 C ATOM 670 CG TRP A 46 0.107 0.911 -6.294 1.00 0.00 C ATOM 671 CD1 TRP A 46 -0.300 1.671 -7.319 1.00 0.00 C ATOM 672 CD2 TRP A 46 -0.898 1.075 -5.271 1.00 0.00 C ATOM 673 NE1 TRP A 46 -1.489 2.311 -7.034 1.00 0.00 N ATOM 674 CE2 TRP A 46 -1.864 1.937 -5.749 1.00 0.00 C ATOM 675 CE3 TRP A 46 -0.988 0.514 -3.985 1.00 0.00 C ATOM 676 CZ2 TRP A 46 -2.989 2.315 -5.006 1.00 0.00 C ATOM 677 CZ3 TRP A 46 -2.118 0.901 -3.256 1.00 0.00 C ATOM 678 CH2 TRP A 46 -3.100 1.768 -3.722 1.00 0.00 C ATOM 0 H TRP A 46 3.576 -1.046 -5.871 1.00 0.00 H new ATOM 0 HA TRP A 46 2.738 1.553 -6.708 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.495 -0.487 -7.148 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.220 -0.710 -5.432 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.235 1.771 -8.252 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.999 2.942 -7.652 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.244 -0.162 -3.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.731 2.992 -5.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.236 0.498 -2.261 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.944 2.018 -3.097 1.00 0.00 H new ATOM 689 N LEU A 47 2.877 0.871 -3.500 1.00 0.00 N ATOM 690 CA LEU A 47 2.854 1.462 -2.172 1.00 0.00 C ATOM 691 C LEU A 47 3.859 2.613 -2.113 1.00 0.00 C ATOM 692 O LEU A 47 3.486 3.755 -1.849 1.00 0.00 O ATOM 693 CB LEU A 47 3.083 0.390 -1.105 1.00 0.00 C ATOM 694 CG LEU A 47 2.034 -0.722 -1.035 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.594 -1.961 -0.334 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.748 -0.222 -0.374 1.00 0.00 C ATOM 0 H LEU A 47 3.141 -0.114 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 47 1.872 1.885 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.057 -0.067 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.131 0.879 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 47 1.780 -1.016 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.828 -2.736 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.459 -2.331 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.895 -1.700 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.019 -1.032 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.967 0.116 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.340 0.607 -0.952 1.00 0.00 H new ATOM 708 N VAL A 48 5.115 2.273 -2.363 1.00 0.00 N ATOM 709 CA VAL A 48 6.177 3.264 -2.341 1.00 0.00 C ATOM 710 C VAL A 48 5.915 4.311 -3.426 1.00 0.00 C ATOM 711 O VAL A 48 6.086 5.507 -3.194 1.00 0.00 O ATOM 712 CB VAL A 48 7.537 2.578 -2.489 1.00 0.00 C ATOM 713 CG1 VAL A 48 8.660 3.609 -2.619 1.00 0.00 C ATOM 714 CG2 VAL A 48 7.800 1.625 -1.322 1.00 0.00 C ATOM 0 H VAL A 48 5.421 1.325 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 48 6.193 3.785 -1.383 1.00 0.00 H new ATOM 0 HB VAL A 48 7.517 1.988 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.616 3.095 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.484 4.229 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.681 4.238 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.773 1.151 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.791 2.184 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.024 0.860 -1.295 1.00 0.00 H new ATOM 724 N SER A 49 5.503 3.823 -4.587 1.00 0.00 N ATOM 725 CA SER A 49 5.215 4.701 -5.708 1.00 0.00 C ATOM 726 C SER A 49 4.321 5.856 -5.252 1.00 0.00 C ATOM 727 O SER A 49 4.657 7.022 -5.454 1.00 0.00 O ATOM 728 CB SER A 49 4.548 3.933 -6.851 1.00 0.00 C ATOM 729 OG SER A 49 5.504 3.320 -7.712 1.00 0.00 O ATOM 0 H SER A 49 5.362 2.831 -4.775 1.00 0.00 H new ATOM 0 HA SER A 49 6.158 5.104 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.889 3.169 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.923 4.614 -7.429 1.00 0.00 H new ATOM 0 HG SER A 49 5.746 2.439 -7.357 1.00 0.00 H new ATOM 735 N ASN A 50 3.201 5.492 -4.646 1.00 0.00 N ATOM 736 CA ASN A 50 2.257 6.483 -4.160 1.00 0.00 C ATOM 737 C ASN A 50 2.717 6.991 -2.792 1.00 0.00 C ATOM 738 O ASN A 50 2.250 8.028 -2.322 1.00 0.00 O ATOM 739 CB ASN A 50 0.860 5.880 -3.995 1.00 0.00 C ATOM 740 CG ASN A 50 0.004 6.132 -5.238 1.00 0.00 C ATOM 741 OD1 ASN A 50 -0.672 7.139 -5.363 1.00 0.00 O ATOM 742 ND2 ASN A 50 0.071 5.163 -6.146 1.00 0.00 N ATOM 0 H ASN A 50 2.926 4.524 -4.480 1.00 0.00 H new ATOM 0 HA ASN A 50 2.216 7.294 -4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.942 4.808 -3.816 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.374 6.313 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.464 5.237 -7.011 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.658 4.346 -5.977 1.00 0.00 H new ATOM 749 N LYS A 51 3.626 6.237 -2.191 1.00 0.00 N ATOM 750 CA LYS A 51 4.154 6.598 -0.886 1.00 0.00 C ATOM 751 C LYS A 51 3.144 6.205 0.194 1.00 0.00 C ATOM 752 O LYS A 51 2.622 7.064 0.903 1.00 0.00 O ATOM 753 CB LYS A 51 4.542 8.078 -0.856 1.00 0.00 C ATOM 754 CG LYS A 51 5.341 8.461 -2.103 1.00 0.00 C ATOM 755 CD LYS A 51 6.838 8.231 -1.887 1.00 0.00 C ATOM 756 CE LYS A 51 7.517 7.786 -3.184 1.00 0.00 C ATOM 757 NZ LYS A 51 8.563 8.755 -3.581 1.00 0.00 N ATOM 0 H LYS A 51 4.010 5.378 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 51 5.072 6.047 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.644 8.692 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.133 8.285 0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.998 7.872 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.162 9.508 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.302 9.149 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.986 7.474 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.960 6.799 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.775 7.697 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.014 8.438 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.132 9.690 -3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.280 8.819 -2.830 1.00 0.00 H new ATOM 771 N LEU A 52 2.900 4.906 0.286 1.00 0.00 N ATOM 772 CA LEU A 52 1.963 4.389 1.268 1.00 0.00 C ATOM 773 C LEU A 52 2.722 4.007 2.541 1.00 0.00 C ATOM 774 O LEU A 52 2.113 3.742 3.576 1.00 0.00 O ATOM 775 CB LEU A 52 1.143 3.242 0.674 1.00 0.00 C ATOM 776 CG LEU A 52 -0.107 3.646 -0.110 1.00 0.00 C ATOM 777 CD1 LEU A 52 -0.855 2.414 -0.624 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.009 4.556 0.727 1.00 0.00 C ATOM 0 H LEU A 52 3.335 4.196 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 52 1.241 5.157 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.790 2.663 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.840 2.580 1.485 1.00 0.00 H new ATOM 0 HG LEU A 52 0.208 4.218 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.739 2.730 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.202 1.839 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.158 1.794 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.890 4.829 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.318 4.030 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.462 5.458 1.001 1.00 0.00 H new ATOM 790 N VAL A 53 4.042 3.992 2.422 1.00 0.00 N ATOM 791 CA VAL A 53 4.891 3.647 3.549 1.00 0.00 C ATOM 792 C VAL A 53 6.097 4.588 3.580 1.00 0.00 C ATOM 793 O VAL A 53 6.164 5.543 2.808 1.00 0.00 O ATOM 794 CB VAL A 53 5.286 2.171 3.475 1.00 0.00 C ATOM 795 CG1 VAL A 53 4.112 1.269 3.858 1.00 0.00 C ATOM 796 CG2 VAL A 53 5.820 1.816 2.086 1.00 0.00 C ATOM 0 H VAL A 53 4.544 4.213 1.562 1.00 0.00 H new ATOM 0 HA VAL A 53 4.352 3.778 4.487 1.00 0.00 H new ATOM 0 HB VAL A 53 6.086 2.002 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.420 0.225 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.797 1.495 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.281 1.443 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.094 0.761 2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.050 2.009 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.698 2.424 1.867 1.00 0.00 H new ATOM 806 N ARG A 54 7.020 4.286 4.482 1.00 0.00 N ATOM 807 CA ARG A 54 8.220 5.093 4.624 1.00 0.00 C ATOM 808 C ARG A 54 9.347 4.525 3.759 1.00 0.00 C ATOM 809 O ARG A 54 10.265 5.249 3.375 1.00 0.00 O ATOM 810 CB ARG A 54 8.681 5.143 6.082 1.00 0.00 C ATOM 811 CG ARG A 54 7.899 6.197 6.868 1.00 0.00 C ATOM 812 CD ARG A 54 8.704 6.692 8.071 1.00 0.00 C ATOM 813 NE ARG A 54 7.788 7.129 9.148 1.00 0.00 N ATOM 814 CZ ARG A 54 8.161 7.880 10.193 1.00 0.00 C ATOM 815 NH1 ARG A 54 9.434 8.283 10.309 1.00 0.00 N ATOM 816 NH2 ARG A 54 7.262 8.229 11.123 1.00 0.00 N ATOM 0 H ARG A 54 6.961 3.494 5.122 1.00 0.00 H new ATOM 0 HA ARG A 54 7.980 6.104 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.545 4.165 6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.746 5.370 6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.658 7.037 6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.953 5.775 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.354 5.897 8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.348 7.519 7.772 1.00 0.00 H new ATOM 0 HE ARG A 54 6.811 6.840 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.119 8.018 9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.717 8.855 11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.293 7.923 11.036 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.547 8.801 11.918 1.00 0.00 H new ATOM 830 N ASN A 55 9.240 3.235 3.476 1.00 0.00 N ATOM 831 CA ASN A 55 10.239 2.562 2.663 1.00 0.00 C ATOM 832 C ASN A 55 9.672 1.232 2.164 1.00 0.00 C ATOM 833 O ASN A 55 8.585 0.824 2.572 1.00 0.00 O ATOM 834 CB ASN A 55 11.500 2.264 3.476 1.00 0.00 C ATOM 835 CG ASN A 55 11.144 1.748 4.872 1.00 0.00 C ATOM 836 OD1 ASN A 55 11.124 0.557 5.136 1.00 0.00 O ATOM 837 ND2 ASN A 55 10.864 2.709 5.748 1.00 0.00 N ATOM 0 H ASN A 55 8.477 2.638 3.795 1.00 0.00 H new ATOM 0 HA ASN A 55 10.494 3.217 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.106 1.523 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.104 3.167 3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.614 2.468 6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.900 3.687 5.461 1.00 0.00 H new ATOM 844 N ARG A 56 10.433 0.591 1.289 1.00 0.00 N ATOM 845 CA ARG A 56 10.020 -0.685 0.730 1.00 0.00 C ATOM 846 C ARG A 56 9.715 -1.681 1.851 1.00 0.00 C ATOM 847 O ARG A 56 8.728 -2.412 1.784 1.00 0.00 O ATOM 848 CB ARG A 56 11.106 -1.265 -0.178 1.00 0.00 C ATOM 849 CG ARG A 56 10.587 -2.487 -0.940 1.00 0.00 C ATOM 850 CD ARG A 56 10.549 -2.218 -2.446 1.00 0.00 C ATOM 851 NE ARG A 56 10.629 -3.495 -3.190 1.00 0.00 N ATOM 852 CZ ARG A 56 10.365 -3.620 -4.498 1.00 0.00 C ATOM 853 NH1 ARG A 56 10.003 -2.547 -5.214 1.00 0.00 N ATOM 854 NH2 ARG A 56 10.464 -4.818 -5.090 1.00 0.00 N ATOM 0 H ARG A 56 11.334 0.932 0.953 1.00 0.00 H new ATOM 0 HA ARG A 56 9.121 -0.513 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.438 -0.505 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.973 -1.546 0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.227 -3.346 -0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.588 -2.743 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.630 -1.692 -2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.378 -1.570 -2.729 1.00 0.00 H new ATOM 0 HE ARG A 56 10.902 -4.332 -2.675 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.928 -1.635 -4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.802 -2.642 -6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.740 -5.635 -4.545 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.263 -4.913 -6.085 1.00 0.00 H new ATOM 868 N GLN A 57 10.581 -1.678 2.854 1.00 0.00 N ATOM 869 CA GLN A 57 10.416 -2.572 3.987 1.00 0.00 C ATOM 870 C GLN A 57 8.983 -2.499 4.517 1.00 0.00 C ATOM 871 O GLN A 57 8.238 -3.475 4.441 1.00 0.00 O ATOM 872 CB GLN A 57 11.426 -2.250 5.090 1.00 0.00 C ATOM 873 CG GLN A 57 11.877 -3.524 5.809 1.00 0.00 C ATOM 874 CD GLN A 57 10.824 -3.985 6.819 1.00 0.00 C ATOM 875 OE1 GLN A 57 9.843 -3.311 7.083 1.00 0.00 O ATOM 876 NE2 GLN A 57 11.083 -5.169 7.367 1.00 0.00 N ATOM 0 H GLN A 57 11.399 -1.071 2.905 1.00 0.00 H new ATOM 0 HA GLN A 57 10.606 -3.591 3.651 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.291 -1.745 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.979 -1.562 5.808 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.057 -4.314 5.079 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.822 -3.342 6.321 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.924 -5.681 7.101 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.441 -5.565 8.054 1.00 0.00 H new ATOM 885 N GLU A 58 8.639 -1.333 5.043 1.00 0.00 N ATOM 886 CA GLU A 58 7.308 -1.119 5.586 1.00 0.00 C ATOM 887 C GLU A 58 6.258 -1.781 4.692 1.00 0.00 C ATOM 888 O GLU A 58 5.398 -2.514 5.176 1.00 0.00 O ATOM 889 CB GLU A 58 7.020 0.373 5.760 1.00 0.00 C ATOM 890 CG GLU A 58 7.377 0.840 7.173 1.00 0.00 C ATOM 891 CD GLU A 58 8.602 0.092 7.704 1.00 0.00 C ATOM 892 OE1 GLU A 58 9.642 0.143 7.011 1.00 0.00 O ATOM 893 OE2 GLU A 58 8.472 -0.512 8.790 1.00 0.00 O ATOM 0 H GLU A 58 9.259 -0.526 5.105 1.00 0.00 H new ATOM 0 HA GLU A 58 7.260 -1.581 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.592 0.945 5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.966 0.569 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.575 1.912 7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.530 0.677 7.839 1.00 0.00 H new ATOM 900 N GLY A 59 6.362 -1.496 3.402 1.00 0.00 N ATOM 901 CA GLY A 59 5.432 -2.054 2.435 1.00 0.00 C ATOM 902 C GLY A 59 5.409 -3.582 2.514 1.00 0.00 C ATOM 903 O GLY A 59 4.342 -4.193 2.480 1.00 0.00 O ATOM 0 H GLY A 59 7.076 -0.886 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.432 -1.662 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.717 -1.743 1.430 1.00 0.00 H new ATOM 907 N LEU A 60 6.599 -4.155 2.619 1.00 0.00 N ATOM 908 CA LEU A 60 6.729 -5.600 2.704 1.00 0.00 C ATOM 909 C LEU A 60 5.835 -6.123 3.831 1.00 0.00 C ATOM 910 O LEU A 60 5.040 -7.038 3.623 1.00 0.00 O ATOM 911 CB LEU A 60 8.199 -5.998 2.850 1.00 0.00 C ATOM 912 CG LEU A 60 8.516 -7.481 2.644 1.00 0.00 C ATOM 913 CD1 LEU A 60 8.734 -8.186 3.984 1.00 0.00 C ATOM 914 CD2 LEU A 60 7.431 -8.162 1.808 1.00 0.00 C ATOM 0 H LEU A 60 7.482 -3.645 2.647 1.00 0.00 H new ATOM 0 HA LEU A 60 6.386 -6.068 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.784 -5.419 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.536 -5.710 3.846 1.00 0.00 H new ATOM 0 HG LEU A 60 9.449 -7.557 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.958 -9.238 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.568 -7.720 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.832 -8.103 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.680 -9.215 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.472 -8.077 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.367 -7.680 0.833 1.00 0.00 H new ATOM 926 N MET A 61 5.997 -5.519 4.999 1.00 0.00 N ATOM 927 CA MET A 61 5.215 -5.912 6.159 1.00 0.00 C ATOM 928 C MET A 61 3.723 -5.667 5.923 1.00 0.00 C ATOM 929 O MET A 61 2.907 -6.571 6.096 1.00 0.00 O ATOM 930 CB MET A 61 5.676 -5.115 7.380 1.00 0.00 C ATOM 931 CG MET A 61 7.194 -5.207 7.554 1.00 0.00 C ATOM 932 SD MET A 61 7.655 -4.659 9.189 1.00 0.00 S ATOM 933 CE MET A 61 6.503 -3.312 9.401 1.00 0.00 C ATOM 0 H MET A 61 6.658 -4.761 5.167 1.00 0.00 H new ATOM 0 HA MET A 61 5.367 -6.978 6.331 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.382 -4.071 7.270 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.180 -5.493 8.274 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.525 -6.234 7.399 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.692 -4.595 6.802 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.847 -2.662 10.206 1.00 0.00 H new ATOM 0 HE2 MET A 61 6.438 -2.740 8.476 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.520 -3.710 9.651 1.00 0.00 H new ATOM 943 N ILE A 62 3.412 -4.440 5.531 1.00 0.00 N ATOM 944 CA ILE A 62 2.033 -4.065 5.269 1.00 0.00 C ATOM 945 C ILE A 62 1.435 -5.025 4.239 1.00 0.00 C ATOM 946 O ILE A 62 0.370 -5.599 4.465 1.00 0.00 O ATOM 947 CB ILE A 62 1.946 -2.593 4.862 1.00 0.00 C ATOM 948 CG1 ILE A 62 2.558 -1.690 5.935 1.00 0.00 C ATOM 949 CG2 ILE A 62 0.505 -2.198 4.535 1.00 0.00 C ATOM 950 CD1 ILE A 62 1.570 -1.448 7.077 1.00 0.00 C ATOM 0 H ILE A 62 4.092 -3.693 5.389 1.00 0.00 H new ATOM 0 HA ILE A 62 1.434 -4.156 6.175 1.00 0.00 H new ATOM 0 HB ILE A 62 2.531 -2.456 3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.466 -2.148 6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.847 -0.737 5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.472 -1.147 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.138 -2.810 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.123 -2.355 5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.030 -0.803 7.826 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.673 -0.967 6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.302 -2.401 7.534 1.00 0.00 H new ATOM 962 N SER A 63 2.145 -5.169 3.130 1.00 0.00 N ATOM 963 CA SER A 63 1.697 -6.049 2.064 1.00 0.00 C ATOM 964 C SER A 63 1.105 -7.329 2.656 1.00 0.00 C ATOM 965 O SER A 63 0.009 -7.743 2.279 1.00 0.00 O ATOM 966 CB SER A 63 2.844 -6.387 1.110 1.00 0.00 C ATOM 967 OG SER A 63 3.120 -5.320 0.207 1.00 0.00 O ATOM 0 H SER A 63 3.027 -4.691 2.946 1.00 0.00 H new ATOM 0 HA SER A 63 0.927 -5.530 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.740 -6.614 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.593 -7.284 0.545 1.00 0.00 H new ATOM 0 HG SER A 63 3.509 -4.567 0.699 1.00 0.00 H new ATOM 973 N ALA A 64 1.854 -7.920 3.574 1.00 0.00 N ATOM 974 CA ALA A 64 1.417 -9.145 4.223 1.00 0.00 C ATOM 975 C ALA A 64 -0.001 -8.953 4.763 1.00 0.00 C ATOM 976 O ALA A 64 -0.873 -9.792 4.541 1.00 0.00 O ATOM 977 CB ALA A 64 2.413 -9.525 5.321 1.00 0.00 C ATOM 0 H ALA A 64 2.762 -7.574 3.885 1.00 0.00 H new ATOM 0 HA ALA A 64 1.389 -9.968 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.085 -10.444 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.398 -9.679 4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.466 -8.723 6.058 1.00 0.00 H new ATOM 983 N SER A 65 -0.188 -7.843 5.462 1.00 0.00 N ATOM 984 CA SER A 65 -1.486 -7.530 6.035 1.00 0.00 C ATOM 985 C SER A 65 -2.568 -7.607 4.956 1.00 0.00 C ATOM 986 O SER A 65 -3.674 -8.078 5.214 1.00 0.00 O ATOM 987 CB SER A 65 -1.482 -6.144 6.685 1.00 0.00 C ATOM 988 OG SER A 65 -2.016 -6.172 8.005 1.00 0.00 O ATOM 0 H SER A 65 0.537 -7.150 5.644 1.00 0.00 H new ATOM 0 HA SER A 65 -1.703 -8.265 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.462 -5.760 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.064 -5.455 6.073 1.00 0.00 H new ATOM 0 HG SER A 65 -1.994 -5.269 8.386 1.00 0.00 H new ATOM 994 N LEU A 66 -2.210 -7.137 3.770 1.00 0.00 N ATOM 995 CA LEU A 66 -3.136 -7.146 2.651 1.00 0.00 C ATOM 996 C LEU A 66 -3.368 -8.589 2.198 1.00 0.00 C ATOM 997 O LEU A 66 -4.507 -9.047 2.131 1.00 0.00 O ATOM 998 CB LEU A 66 -2.638 -6.225 1.535 1.00 0.00 C ATOM 999 CG LEU A 66 -2.733 -4.723 1.814 1.00 0.00 C ATOM 1000 CD1 LEU A 66 -1.764 -3.939 0.928 1.00 0.00 C ATOM 1001 CD2 LEU A 66 -4.173 -4.228 1.665 1.00 0.00 C ATOM 0 H LEU A 66 -1.291 -6.747 3.560 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.104 -6.747 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.597 -6.471 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.205 -6.443 0.630 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.437 -4.548 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.852 -2.875 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.744 -4.267 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.005 -4.116 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.213 -3.158 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.520 -4.417 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.814 -4.756 2.371 1.00 0.00 H new ATOM 1013 N LEU A 67 -2.268 -9.266 1.900 1.00 0.00 N ATOM 1014 CA LEU A 67 -2.337 -10.648 1.456 1.00 0.00 C ATOM 1015 C LEU A 67 -3.124 -11.469 2.479 1.00 0.00 C ATOM 1016 O LEU A 67 -4.149 -12.062 2.148 1.00 0.00 O ATOM 1017 CB LEU A 67 -0.934 -11.192 1.178 1.00 0.00 C ATOM 1018 CG LEU A 67 -0.819 -12.711 1.041 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -0.500 -13.360 2.390 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -2.079 -13.302 0.405 1.00 0.00 C ATOM 0 H LEU A 67 -1.324 -8.883 1.957 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.874 -10.718 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.564 -10.735 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.274 -10.869 1.983 1.00 0.00 H new ATOM 0 HG LEU A 67 0.013 -12.931 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.424 -14.440 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.446 -12.970 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.295 -13.132 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.970 -14.383 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.943 -13.072 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.222 -12.872 -0.586 1.00 0.00 H new ATOM 1032 N SER A 68 -2.613 -11.478 3.702 1.00 0.00 N ATOM 1033 CA SER A 68 -3.254 -12.217 4.775 1.00 0.00 C ATOM 1034 C SER A 68 -4.774 -12.080 4.669 1.00 0.00 C ATOM 1035 O SER A 68 -5.471 -13.055 4.390 1.00 0.00 O ATOM 1036 CB SER A 68 -2.772 -11.731 6.144 1.00 0.00 C ATOM 1037 OG SER A 68 -2.730 -12.785 7.101 1.00 0.00 O ATOM 0 H SER A 68 -1.762 -10.985 3.973 1.00 0.00 H new ATOM 0 HA SER A 68 -2.982 -13.268 4.676 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.779 -11.293 6.044 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.434 -10.942 6.502 1.00 0.00 H new ATOM 0 HG SER A 68 -2.416 -12.434 7.960 1.00 0.00 H new ATOM 1043 N GLU A 69 -5.244 -10.863 4.897 1.00 0.00 N ATOM 1044 CA GLU A 69 -6.669 -10.586 4.831 1.00 0.00 C ATOM 1045 C GLU A 69 -7.311 -11.376 3.688 1.00 0.00 C ATOM 1046 O GLU A 69 -8.466 -11.786 3.784 1.00 0.00 O ATOM 1047 CB GLU A 69 -6.930 -9.086 4.675 1.00 0.00 C ATOM 1048 CG GLU A 69 -6.624 -8.339 5.974 1.00 0.00 C ATOM 1049 CD GLU A 69 -7.799 -8.429 6.949 1.00 0.00 C ATOM 1050 OE1 GLU A 69 -8.946 -8.309 6.468 1.00 0.00 O ATOM 1051 OE2 GLU A 69 -7.524 -8.617 8.154 1.00 0.00 O ATOM 0 H GLU A 69 -4.663 -10.057 5.128 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.125 -10.905 5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.314 -8.688 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.970 -8.921 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.730 -8.758 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.409 -7.293 5.754 1.00 0.00 H new ATOM 1058 N GLY A 70 -6.532 -11.565 2.632 1.00 0.00 N ATOM 1059 CA GLY A 70 -7.010 -12.299 1.472 1.00 0.00 C ATOM 1060 C GLY A 70 -7.235 -11.360 0.285 1.00 0.00 C ATOM 1061 O GLY A 70 -7.675 -11.794 -0.779 1.00 0.00 O ATOM 0 H GLY A 70 -5.574 -11.223 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.287 -13.068 1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.941 -12.810 1.718 1.00 0.00 H new ATOM 1065 N TYR A 71 -6.922 -10.092 0.507 1.00 0.00 N ATOM 1066 CA TYR A 71 -7.085 -9.089 -0.532 1.00 0.00 C ATOM 1067 C TYR A 71 -6.276 -9.454 -1.778 1.00 0.00 C ATOM 1068 O TYR A 71 -6.500 -8.899 -2.853 1.00 0.00 O ATOM 1069 CB TYR A 71 -6.538 -7.785 0.053 1.00 0.00 C ATOM 1070 CG TYR A 71 -7.471 -7.115 1.063 1.00 0.00 C ATOM 1071 CD1 TYR A 71 -8.766 -6.802 0.703 1.00 0.00 C ATOM 1072 CD2 TYR A 71 -7.019 -6.825 2.334 1.00 0.00 C ATOM 1073 CE1 TYR A 71 -9.645 -6.172 1.654 1.00 0.00 C ATOM 1074 CE2 TYR A 71 -7.898 -6.195 3.285 1.00 0.00 C ATOM 1075 CZ TYR A 71 -9.168 -5.900 2.898 1.00 0.00 C ATOM 1076 OH TYR A 71 -9.998 -5.305 3.796 1.00 0.00 O ATOM 0 H TYR A 71 -6.557 -9.736 1.390 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.131 -9.009 -0.828 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.583 -7.989 0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.341 -7.088 -0.762 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.120 -7.029 -0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.006 -7.071 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.660 -5.921 1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.556 -5.962 4.283 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.523 -5.172 4.643 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.352 -10.385 -1.593 1.00 0.00 N ATOM 1087 CA LEU A 72 -4.509 -10.831 -2.689 1.00 0.00 C ATOM 1088 C LEU A 72 -4.431 -12.359 -2.678 1.00 0.00 C ATOM 1089 O LEU A 72 -4.180 -12.964 -1.636 1.00 0.00 O ATOM 1090 CB LEU A 72 -3.143 -10.145 -2.628 1.00 0.00 C ATOM 1091 CG LEU A 72 -3.163 -8.623 -2.471 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -1.885 -8.125 -1.793 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.404 -7.936 -3.817 1.00 0.00 C ATOM 0 H LEU A 72 -5.169 -10.843 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.943 -10.541 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.583 -10.569 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.595 -10.389 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.996 -8.357 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.925 -7.040 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.797 -8.577 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.021 -8.403 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.414 -6.855 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.607 -8.205 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.363 -8.258 -4.223 1.00 0.00 H new ATOM 1105 N GLN A 73 -4.649 -12.940 -3.849 1.00 0.00 N ATOM 1106 CA GLN A 73 -4.607 -14.386 -3.986 1.00 0.00 C ATOM 1107 C GLN A 73 -3.285 -14.819 -4.623 1.00 0.00 C ATOM 1108 O GLN A 73 -2.867 -14.262 -5.637 1.00 0.00 O ATOM 1109 CB GLN A 73 -5.799 -14.894 -4.799 1.00 0.00 C ATOM 1110 CG GLN A 73 -7.073 -14.910 -3.951 1.00 0.00 C ATOM 1111 CD GLN A 73 -7.046 -16.061 -2.943 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -6.794 -17.207 -3.276 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -7.319 -15.692 -1.694 1.00 0.00 N ATOM 0 H GLN A 73 -4.855 -12.436 -4.711 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.672 -14.829 -2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.946 -14.258 -5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.591 -15.898 -5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.175 -13.962 -3.423 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.944 -15.009 -4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.522 -14.715 -1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.326 -16.386 -0.947 1.00 0.00 H new ATOM 1122 N PRO A 74 -2.646 -15.836 -3.985 1.00 0.00 N ATOM 1123 CA PRO A 74 -1.380 -16.351 -4.478 1.00 0.00 C ATOM 1124 C PRO A 74 -1.587 -17.216 -5.722 1.00 0.00 C ATOM 1125 O PRO A 74 -2.588 -17.922 -5.832 1.00 0.00 O ATOM 1126 CB PRO A 74 -0.787 -17.123 -3.310 1.00 0.00 C ATOM 1127 CG PRO A 74 -1.945 -17.403 -2.365 1.00 0.00 C ATOM 1128 CD PRO A 74 -3.110 -16.520 -2.781 1.00 0.00 C ATOM 0 HA PRO A 74 -0.702 -15.561 -4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.326 -18.051 -3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.009 -16.543 -2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.228 -18.455 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.656 -17.194 -1.335 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.003 -17.112 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.368 -15.809 -1.996 1.00 0.00 H new ATOM 1136 N ALA A 75 -0.624 -17.134 -6.629 1.00 0.00 N ATOM 1137 CA ALA A 75 -0.688 -17.900 -7.861 1.00 0.00 C ATOM 1138 C ALA A 75 0.657 -18.588 -8.099 1.00 0.00 C ATOM 1139 O ALA A 75 1.704 -17.944 -8.060 1.00 0.00 O ATOM 1140 CB ALA A 75 -1.084 -16.978 -9.016 1.00 0.00 C ATOM 0 H ALA A 75 0.205 -16.548 -6.534 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.448 -18.678 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.132 -17.553 -9.941 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.060 -16.537 -8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.343 -16.186 -9.120 1.00 0.00 H new ATOM 1146 N GLY A 76 0.586 -19.889 -8.342 1.00 0.00 N ATOM 1147 CA GLY A 76 1.785 -20.672 -8.587 1.00 0.00 C ATOM 1148 C GLY A 76 2.014 -21.689 -7.467 1.00 0.00 C ATOM 1149 O GLY A 76 1.397 -22.754 -7.456 1.00 0.00 O ATOM 0 H GLY A 76 -0.284 -20.420 -8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.696 -21.191 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.647 -20.009 -8.663 1.00 0.00 H new ATOM 1153 N ASP A 77 2.902 -21.327 -6.553 1.00 0.00 N ATOM 1154 CA ASP A 77 3.219 -22.195 -5.432 1.00 0.00 C ATOM 1155 C ASP A 77 4.110 -21.439 -4.444 1.00 0.00 C ATOM 1156 O ASP A 77 3.874 -21.474 -3.238 1.00 0.00 O ATOM 1157 CB ASP A 77 3.978 -23.439 -5.897 1.00 0.00 C ATOM 1158 CG ASP A 77 4.425 -24.380 -4.777 1.00 0.00 C ATOM 1159 OD1 ASP A 77 4.079 -24.082 -3.613 1.00 0.00 O ATOM 1160 OD2 ASP A 77 5.102 -25.377 -5.109 1.00 0.00 O ATOM 0 H ASP A 77 3.412 -20.444 -6.566 1.00 0.00 H new ATOM 0 HA ASP A 77 2.282 -22.498 -4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.344 -23.996 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.858 -23.121 -6.457 1.00 0.00 H new ATOM 1165 N LEU A 78 5.117 -20.775 -4.993 1.00 0.00 N ATOM 1166 CA LEU A 78 6.044 -20.012 -4.175 1.00 0.00 C ATOM 1167 C LEU A 78 5.259 -19.200 -3.144 1.00 0.00 C ATOM 1168 O LEU A 78 5.033 -19.661 -2.026 1.00 0.00 O ATOM 1169 CB LEU A 78 6.963 -19.164 -5.056 1.00 0.00 C ATOM 1170 CG LEU A 78 7.856 -18.160 -4.324 1.00 0.00 C ATOM 1171 CD1 LEU A 78 9.332 -18.541 -4.455 1.00 0.00 C ATOM 1172 CD2 LEU A 78 7.587 -16.733 -4.806 1.00 0.00 C ATOM 0 H LEU A 78 5.311 -20.750 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 78 6.702 -20.681 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.601 -19.834 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.346 -18.618 -5.770 1.00 0.00 H new ATOM 0 HG LEU A 78 7.608 -18.193 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.945 -17.811 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.492 -19.529 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.612 -18.554 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.235 -16.040 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.789 -16.666 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.545 -16.476 -4.617 1.00 0.00 H new ATOM 1184 N SER A 79 4.865 -18.004 -3.556 1.00 0.00 N ATOM 1185 CA SER A 79 4.110 -17.122 -2.682 1.00 0.00 C ATOM 1186 C SER A 79 3.098 -17.933 -1.869 1.00 0.00 C ATOM 1187 O SER A 79 2.775 -17.573 -0.738 1.00 0.00 O ATOM 1188 CB SER A 79 3.395 -16.032 -3.483 1.00 0.00 C ATOM 1189 OG SER A 79 4.049 -15.763 -4.720 1.00 0.00 O ATOM 0 H SER A 79 5.054 -17.625 -4.484 1.00 0.00 H new ATOM 0 HA SER A 79 4.808 -16.635 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.367 -16.339 -3.676 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.349 -15.118 -2.891 1.00 0.00 H new ATOM 0 HG SER A 79 3.561 -15.063 -5.202 1.00 0.00 H new ATOM 1195 N LYS A 80 2.626 -19.011 -2.477 1.00 0.00 N ATOM 1196 CA LYS A 80 1.658 -19.875 -1.824 1.00 0.00 C ATOM 1197 C LYS A 80 2.293 -20.497 -0.579 1.00 0.00 C ATOM 1198 O LYS A 80 1.753 -20.384 0.520 1.00 0.00 O ATOM 1199 CB LYS A 80 1.106 -20.905 -2.813 1.00 0.00 C ATOM 1200 CG LYS A 80 -0.422 -20.953 -2.758 1.00 0.00 C ATOM 1201 CD LYS A 80 -0.976 -21.942 -3.786 1.00 0.00 C ATOM 1202 CE LYS A 80 -0.473 -23.360 -3.508 1.00 0.00 C ATOM 1203 NZ LYS A 80 -1.607 -24.310 -3.449 1.00 0.00 N ATOM 0 H LYS A 80 2.896 -19.306 -3.415 1.00 0.00 H new ATOM 0 HA LYS A 80 0.797 -19.297 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.429 -20.654 -3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.513 -21.890 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.745 -21.243 -1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.828 -19.959 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.066 -21.927 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.677 -21.636 -4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.224 -23.665 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.075 -23.380 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.248 -25.268 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.257 -24.027 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.113 -24.303 -4.358 1.00 0.00 H new ATOM 1217 N ASN A 81 3.432 -21.139 -0.793 1.00 0.00 N ATOM 1218 CA ASN A 81 4.148 -21.778 0.298 1.00 0.00 C ATOM 1219 C ASN A 81 4.311 -20.782 1.448 1.00 0.00 C ATOM 1220 O ASN A 81 4.479 -21.180 2.600 1.00 0.00 O ATOM 1221 CB ASN A 81 5.543 -22.223 -0.144 1.00 0.00 C ATOM 1222 CG ASN A 81 5.510 -23.640 -0.720 1.00 0.00 C ATOM 1223 OD1 ASN A 81 4.778 -24.505 -0.268 1.00 0.00 O ATOM 1224 ND2 ASN A 81 6.340 -23.828 -1.742 1.00 0.00 N ATOM 0 H ASN A 81 3.877 -21.230 -1.706 1.00 0.00 H new ATOM 0 HA ASN A 81 3.575 -22.650 0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.929 -21.531 -0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.226 -22.188 0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.391 -24.740 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.926 -23.061 -2.071 1.00 0.00 H new ATOM 1231 N ALA A 82 4.256 -19.506 1.096 1.00 0.00 N ATOM 1232 CA ALA A 82 4.396 -18.450 2.084 1.00 0.00 C ATOM 1233 C ALA A 82 3.116 -18.366 2.918 1.00 0.00 C ATOM 1234 O ALA A 82 3.171 -18.371 4.147 1.00 0.00 O ATOM 1235 CB ALA A 82 4.721 -17.131 1.379 1.00 0.00 C ATOM 0 H ALA A 82 4.116 -19.179 0.140 1.00 0.00 H new ATOM 0 HA ALA A 82 5.219 -18.667 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.826 -16.339 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.654 -17.235 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.915 -16.879 0.690 1.00 0.00 H new ATOM 1241 N ALA A 83 1.995 -18.290 2.217 1.00 0.00 N ATOM 1242 CA ALA A 83 0.703 -18.205 2.878 1.00 0.00 C ATOM 1243 C ALA A 83 0.128 -19.612 3.047 1.00 0.00 C ATOM 1244 O ALA A 83 -1.088 -19.787 3.098 1.00 0.00 O ATOM 1245 CB ALA A 83 -0.222 -17.289 2.074 1.00 0.00 C ATOM 0 H ALA A 83 1.954 -18.285 1.198 1.00 0.00 H new ATOM 0 HA ALA A 83 0.808 -17.771 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.191 -17.225 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.218 -16.294 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.353 -17.694 1.071 1.00 0.00 H new ATOM 1251 N ASP A 84 1.030 -20.580 3.130 1.00 0.00 N ATOM 1252 CA ASP A 84 0.627 -21.966 3.293 1.00 0.00 C ATOM 1253 C ASP A 84 0.750 -22.359 4.767 1.00 0.00 C ATOM 1254 O ASP A 84 0.136 -23.330 5.207 1.00 0.00 O ATOM 1255 CB ASP A 84 1.524 -22.900 2.478 1.00 0.00 C ATOM 1256 CG ASP A 84 0.921 -24.272 2.171 1.00 0.00 C ATOM 1257 OD1 ASP A 84 0.829 -25.077 3.123 1.00 0.00 O ATOM 1258 OD2 ASP A 84 0.565 -24.484 0.992 1.00 0.00 O ATOM 0 H ASP A 84 2.038 -20.431 3.087 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.402 -22.061 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.772 -22.410 1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.459 -23.044 3.019 1.00 0.00 H new ATOM 1263 N GLY A 85 1.547 -21.585 5.488 1.00 0.00 N ATOM 1264 CA GLY A 85 1.758 -21.840 6.903 1.00 0.00 C ATOM 1265 C GLY A 85 3.124 -21.319 7.356 1.00 0.00 C ATOM 1266 O GLY A 85 3.344 -21.099 8.545 1.00 0.00 O ATOM 0 H GLY A 85 2.055 -20.781 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.971 -21.360 7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.690 -22.910 7.097 1.00 0.00 H new ATOM 1270 N ILE A 86 4.005 -21.138 6.383 1.00 0.00 N ATOM 1271 CA ILE A 86 5.343 -20.647 6.666 1.00 0.00 C ATOM 1272 C ILE A 86 5.266 -19.566 7.746 1.00 0.00 C ATOM 1273 O ILE A 86 5.882 -19.695 8.803 1.00 0.00 O ATOM 1274 CB ILE A 86 6.028 -20.184 5.379 1.00 0.00 C ATOM 1275 CG1 ILE A 86 6.662 -21.364 4.640 1.00 0.00 C ATOM 1276 CG2 ILE A 86 7.042 -19.075 5.666 1.00 0.00 C ATOM 1277 CD1 ILE A 86 7.652 -22.106 5.540 1.00 0.00 C ATOM 0 H ILE A 86 3.818 -21.323 5.397 1.00 0.00 H new ATOM 0 HA ILE A 86 5.968 -21.448 7.060 1.00 0.00 H new ATOM 0 HB ILE A 86 5.269 -19.763 4.720 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.883 -22.050 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.175 -21.006 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.515 -18.764 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.532 -18.223 6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.803 -19.446 6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.088 -22.940 4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.443 -21.423 5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.131 -22.484 6.420 1.00 0.00 H new ATOM 1289 N ALA A 87 4.506 -18.524 7.442 1.00 0.00 N ATOM 1290 CA ALA A 87 4.341 -17.421 8.374 1.00 0.00 C ATOM 1291 C ALA A 87 5.651 -16.635 8.463 1.00 0.00 C ATOM 1292 O ALA A 87 6.624 -16.965 7.788 1.00 0.00 O ATOM 1293 CB ALA A 87 3.893 -17.962 9.733 1.00 0.00 C ATOM 0 H ALA A 87 3.998 -18.420 6.564 1.00 0.00 H new ATOM 0 HA ALA A 87 3.568 -16.737 8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.770 -17.134 10.431 1.00 0.00 H new ATOM 0 HB2 ALA A 87 2.944 -18.487 9.621 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.646 -18.651 10.116 1.00 0.00 H new ATOM 1299 N GLU A 88 5.632 -15.609 9.302 1.00 0.00 N ATOM 1300 CA GLU A 88 6.806 -14.774 9.488 1.00 0.00 C ATOM 1301 C GLU A 88 6.946 -13.789 8.326 1.00 0.00 C ATOM 1302 O GLU A 88 7.787 -12.892 8.366 1.00 0.00 O ATOM 1303 CB GLU A 88 8.068 -15.626 9.640 1.00 0.00 C ATOM 1304 CG GLU A 88 8.951 -15.101 10.773 1.00 0.00 C ATOM 1305 CD GLU A 88 10.413 -15.008 10.330 1.00 0.00 C ATOM 1306 OE1 GLU A 88 10.626 -14.689 9.140 1.00 0.00 O ATOM 1307 OE2 GLU A 88 11.284 -15.257 11.191 1.00 0.00 O ATOM 0 H GLU A 88 4.822 -15.338 9.860 1.00 0.00 H new ATOM 0 HA GLU A 88 6.680 -14.204 10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.790 -16.661 9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.629 -15.622 8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.599 -14.118 11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.870 -15.760 11.637 1.00 0.00 H new ATOM 1314 N ASN A 89 6.109 -13.989 7.318 1.00 0.00 N ATOM 1315 CA ASN A 89 6.129 -13.129 6.147 1.00 0.00 C ATOM 1316 C ASN A 89 5.591 -13.904 4.942 1.00 0.00 C ATOM 1317 O ASN A 89 6.359 -14.512 4.198 1.00 0.00 O ATOM 1318 CB ASN A 89 7.554 -12.676 5.820 1.00 0.00 C ATOM 1319 CG ASN A 89 7.797 -11.244 6.299 1.00 0.00 C ATOM 1320 OD1 ASN A 89 8.770 -10.943 6.971 1.00 0.00 O ATOM 1321 ND2 ASN A 89 6.861 -10.379 5.917 1.00 0.00 N ATOM 0 H ASN A 89 5.413 -14.734 7.288 1.00 0.00 H new ATOM 0 HA ASN A 89 5.513 -12.255 6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.271 -13.348 6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.721 -12.737 4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.933 -9.398 6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.072 -10.697 5.355 1.00 0.00 H new ATOM 1328 N PRO A 90 4.241 -13.855 4.784 1.00 0.00 N ATOM 1329 CA PRO A 90 3.592 -14.545 3.682 1.00 0.00 C ATOM 1330 C PRO A 90 3.808 -13.799 2.364 1.00 0.00 C ATOM 1331 O PRO A 90 3.611 -14.361 1.288 1.00 0.00 O ATOM 1332 CB PRO A 90 2.128 -14.634 4.082 1.00 0.00 C ATOM 1333 CG PRO A 90 1.928 -13.588 5.167 1.00 0.00 C ATOM 1334 CD PRO A 90 3.301 -13.146 5.646 1.00 0.00 C ATOM 0 HA PRO A 90 4.004 -15.539 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.478 -14.441 3.229 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.884 -15.630 4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.367 -12.738 4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.350 -14.001 5.994 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.422 -12.066 5.560 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.456 -13.401 6.694 1.00 0.00 H new ATOM 1342 N PHE A 91 4.211 -12.543 2.492 1.00 0.00 N ATOM 1343 CA PHE A 91 4.456 -11.714 1.324 1.00 0.00 C ATOM 1344 C PHE A 91 5.950 -11.650 1.000 1.00 0.00 C ATOM 1345 O PHE A 91 6.764 -11.336 1.867 1.00 0.00 O ATOM 1346 CB PHE A 91 3.959 -10.307 1.663 1.00 0.00 C ATOM 1347 CG PHE A 91 3.458 -9.516 0.453 1.00 0.00 C ATOM 1348 CD1 PHE A 91 4.329 -8.779 -0.287 1.00 0.00 C ATOM 1349 CD2 PHE A 91 2.140 -9.550 0.117 1.00 0.00 C ATOM 1350 CE1 PHE A 91 3.863 -8.045 -1.410 1.00 0.00 C ATOM 1351 CE2 PHE A 91 1.674 -8.816 -1.006 1.00 0.00 C ATOM 1352 CZ PHE A 91 2.546 -8.079 -1.746 1.00 0.00 C ATOM 0 H PHE A 91 4.374 -12.080 3.386 1.00 0.00 H new ATOM 0 HA PHE A 91 3.942 -12.130 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.153 -10.383 2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.768 -9.752 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.375 -8.752 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 91 1.448 -10.135 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.555 -7.460 -1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.628 -8.843 -1.273 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.192 -7.521 -2.600 1.00 0.00 H new ATOM 1362 N LEU A 92 6.265 -11.953 -0.250 1.00 0.00 N ATOM 1363 CA LEU A 92 7.647 -11.935 -0.699 1.00 0.00 C ATOM 1364 C LEU A 92 7.898 -10.662 -1.510 1.00 0.00 C ATOM 1365 O LEU A 92 7.302 -10.468 -2.569 1.00 0.00 O ATOM 1366 CB LEU A 92 7.982 -13.222 -1.456 1.00 0.00 C ATOM 1367 CG LEU A 92 7.812 -14.525 -0.671 1.00 0.00 C ATOM 1368 CD1 LEU A 92 6.404 -14.630 -0.082 1.00 0.00 C ATOM 1369 CD2 LEU A 92 8.164 -15.736 -1.537 1.00 0.00 C ATOM 0 H LEU A 92 5.587 -12.213 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 92 8.324 -11.909 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.353 -13.272 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.015 -13.160 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 92 8.510 -14.514 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.310 -15.565 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.228 -13.791 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.670 -14.609 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.035 -16.649 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.508 -15.764 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.200 -15.659 -1.866 1.00 0.00 H new ATOM 1381 N ASP A 93 8.781 -9.827 -0.983 1.00 0.00 N ATOM 1382 CA ASP A 93 9.119 -8.578 -1.644 1.00 0.00 C ATOM 1383 C ASP A 93 10.020 -8.870 -2.846 1.00 0.00 C ATOM 1384 O ASP A 93 11.146 -8.381 -2.915 1.00 0.00 O ATOM 1385 CB ASP A 93 9.877 -7.643 -0.701 1.00 0.00 C ATOM 1386 CG ASP A 93 10.479 -6.403 -1.365 1.00 0.00 C ATOM 1387 OD1 ASP A 93 9.688 -5.634 -1.953 1.00 0.00 O ATOM 1388 OD2 ASP A 93 11.716 -6.252 -1.271 1.00 0.00 O ATOM 0 H ASP A 93 9.273 -9.991 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 93 8.191 -8.100 -1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.199 -7.320 0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.679 -8.206 -0.223 1.00 0.00 H new ATOM 1393 N SER A 94 9.489 -9.666 -3.763 1.00 0.00 N ATOM 1394 CA SER A 94 10.232 -10.028 -4.959 1.00 0.00 C ATOM 1395 C SER A 94 9.327 -9.923 -6.188 1.00 0.00 C ATOM 1396 O SER A 94 8.107 -10.028 -6.076 1.00 0.00 O ATOM 1397 CB SER A 94 10.807 -11.441 -4.843 1.00 0.00 C ATOM 1398 OG SER A 94 12.152 -11.510 -5.308 1.00 0.00 O ATOM 0 H SER A 94 8.554 -10.070 -3.702 1.00 0.00 H new ATOM 0 HA SER A 94 11.065 -9.334 -5.068 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.766 -11.765 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.189 -12.132 -5.417 1.00 0.00 H new ATOM 0 HG SER A 94 12.483 -12.428 -5.216 1.00 0.00 H new ATOM 1404 N PRO A 95 9.977 -9.710 -7.364 1.00 0.00 N ATOM 1405 CA PRO A 95 9.245 -9.590 -8.613 1.00 0.00 C ATOM 1406 C PRO A 95 8.751 -10.956 -9.093 1.00 0.00 C ATOM 1407 O PRO A 95 8.115 -11.056 -10.141 1.00 0.00 O ATOM 1408 CB PRO A 95 10.221 -8.938 -9.579 1.00 0.00 C ATOM 1409 CG PRO A 95 11.602 -9.141 -8.978 1.00 0.00 C ATOM 1410 CD PRO A 95 11.422 -9.580 -7.534 1.00 0.00 C ATOM 0 HA PRO A 95 8.341 -8.989 -8.515 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.155 -9.393 -10.567 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.000 -7.878 -9.701 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.156 -9.893 -9.539 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.179 -8.218 -9.027 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.930 -10.525 -7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.838 -8.847 -6.842 1.00 0.00 H new ATOM 1418 N ASP A 96 9.062 -11.973 -8.303 1.00 0.00 N ATOM 1419 CA ASP A 96 8.658 -13.329 -8.635 1.00 0.00 C ATOM 1420 C ASP A 96 7.259 -13.591 -8.073 1.00 0.00 C ATOM 1421 O ASP A 96 6.314 -13.809 -8.829 1.00 0.00 O ATOM 1422 CB ASP A 96 9.613 -14.354 -8.021 1.00 0.00 C ATOM 1423 CG ASP A 96 11.006 -14.399 -8.654 1.00 0.00 C ATOM 1424 OD1 ASP A 96 11.061 -14.534 -9.895 1.00 0.00 O ATOM 1425 OD2 ASP A 96 11.983 -14.298 -7.881 1.00 0.00 O ATOM 0 H ASP A 96 9.589 -11.885 -7.434 1.00 0.00 H new ATOM 0 HA ASP A 96 8.671 -13.429 -9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.720 -14.138 -6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.162 -15.343 -8.101 1.00 0.00 H new ATOM 1430 N ALA A 97 7.172 -13.560 -6.751 1.00 0.00 N ATOM 1431 CA ALA A 97 5.904 -13.791 -6.079 1.00 0.00 C ATOM 1432 C ALA A 97 4.807 -12.984 -6.777 1.00 0.00 C ATOM 1433 O ALA A 97 4.715 -11.771 -6.597 1.00 0.00 O ATOM 1434 CB ALA A 97 6.039 -13.433 -4.598 1.00 0.00 C ATOM 0 H ALA A 97 7.959 -13.379 -6.127 1.00 0.00 H new ATOM 0 HA ALA A 97 5.625 -14.843 -6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.088 -13.606 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.810 -14.054 -4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.315 -12.383 -4.501 1.00 0.00 H new ATOM 1440 N PHE A 98 4.004 -13.690 -7.558 1.00 0.00 N ATOM 1441 CA PHE A 98 2.917 -13.055 -8.284 1.00 0.00 C ATOM 1442 C PHE A 98 1.578 -13.287 -7.580 1.00 0.00 C ATOM 1443 O PHE A 98 1.220 -14.425 -7.281 1.00 0.00 O ATOM 1444 CB PHE A 98 2.869 -13.697 -9.671 1.00 0.00 C ATOM 1445 CG PHE A 98 4.113 -13.434 -10.523 1.00 0.00 C ATOM 1446 CD1 PHE A 98 4.644 -12.183 -10.581 1.00 0.00 C ATOM 1447 CD2 PHE A 98 4.687 -14.450 -11.221 1.00 0.00 C ATOM 1448 CE1 PHE A 98 5.798 -11.938 -11.371 1.00 0.00 C ATOM 1449 CE2 PHE A 98 5.841 -14.205 -12.011 1.00 0.00 C ATOM 1450 CZ PHE A 98 6.372 -12.954 -12.069 1.00 0.00 C ATOM 0 H PHE A 98 4.084 -14.696 -7.704 1.00 0.00 H new ATOM 0 HA PHE A 98 3.086 -11.980 -8.340 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.740 -14.773 -9.557 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.993 -13.325 -10.202 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.188 -11.376 -10.026 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.265 -15.443 -11.174 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.220 -10.945 -11.418 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.297 -15.012 -12.566 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.250 -12.768 -12.670 1.00 0.00 H new ATOM 1460 N TYR A 99 0.875 -12.191 -7.337 1.00 0.00 N ATOM 1461 CA TYR A 99 -0.416 -12.261 -6.675 1.00 0.00 C ATOM 1462 C TYR A 99 -1.508 -11.618 -7.532 1.00 0.00 C ATOM 1463 O TYR A 99 -1.221 -10.769 -8.374 1.00 0.00 O ATOM 1464 CB TYR A 99 -0.268 -11.465 -5.377 1.00 0.00 C ATOM 1465 CG TYR A 99 0.391 -12.247 -4.238 1.00 0.00 C ATOM 1466 CD1 TYR A 99 -0.339 -13.178 -3.529 1.00 0.00 C ATOM 1467 CD2 TYR A 99 1.715 -12.020 -3.921 1.00 0.00 C ATOM 1468 CE1 TYR A 99 0.281 -13.914 -2.457 1.00 0.00 C ATOM 1469 CE2 TYR A 99 2.335 -12.756 -2.850 1.00 0.00 C ATOM 1470 CZ TYR A 99 1.587 -13.667 -2.171 1.00 0.00 C ATOM 1471 OH TYR A 99 2.172 -14.362 -1.159 1.00 0.00 O ATOM 0 H TYR A 99 1.175 -11.249 -7.587 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.701 -13.298 -6.499 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.321 -10.570 -5.577 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.254 -11.132 -5.053 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.375 -13.355 -3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.286 -11.290 -4.476 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.279 -14.645 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.370 -12.589 -2.592 1.00 0.00 H new ATOM 0 HH TYR A 99 2.533 -13.735 -0.498 1.00 0.00 H new ATOM 1481 N TYR A 100 -2.737 -12.048 -7.288 1.00 0.00 N ATOM 1482 CA TYR A 100 -3.873 -11.524 -8.027 1.00 0.00 C ATOM 1483 C TYR A 100 -5.106 -11.409 -7.128 1.00 0.00 C ATOM 1484 O TYR A 100 -5.313 -12.238 -6.243 1.00 0.00 O ATOM 1485 CB TYR A 100 -4.158 -12.539 -9.136 1.00 0.00 C ATOM 1486 CG TYR A 100 -4.756 -13.856 -8.636 1.00 0.00 C ATOM 1487 CD1 TYR A 100 -3.925 -14.873 -8.211 1.00 0.00 C ATOM 1488 CD2 TYR A 100 -6.125 -14.026 -8.609 1.00 0.00 C ATOM 1489 CE1 TYR A 100 -4.488 -16.113 -7.741 1.00 0.00 C ATOM 1490 CE2 TYR A 100 -6.687 -15.266 -8.139 1.00 0.00 C ATOM 1491 CZ TYR A 100 -5.841 -16.248 -7.728 1.00 0.00 C ATOM 1492 OH TYR A 100 -6.372 -17.418 -7.283 1.00 0.00 O ATOM 0 H TYR A 100 -2.971 -12.753 -6.589 1.00 0.00 H new ATOM 0 HA TYR A 100 -3.653 -10.530 -8.416 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.842 -12.092 -9.857 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.230 -12.752 -9.667 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -2.854 -14.739 -8.231 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.775 -13.230 -8.940 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.850 -16.917 -7.406 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.757 -15.413 -8.114 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.350 -17.372 -7.329 1.00 0.00 H new ATOM 1502 N PHE A 101 -5.893 -10.375 -7.386 1.00 0.00 N ATOM 1503 CA PHE A 101 -7.100 -10.141 -6.612 1.00 0.00 C ATOM 1504 C PHE A 101 -8.091 -11.294 -6.780 1.00 0.00 C ATOM 1505 O PHE A 101 -8.138 -11.929 -7.832 1.00 0.00 O ATOM 1506 CB PHE A 101 -7.734 -8.856 -7.149 1.00 0.00 C ATOM 1507 CG PHE A 101 -6.813 -7.636 -7.089 1.00 0.00 C ATOM 1508 CD1 PHE A 101 -6.087 -7.386 -5.967 1.00 0.00 C ATOM 1509 CD2 PHE A 101 -6.722 -6.800 -8.159 1.00 0.00 C ATOM 1510 CE1 PHE A 101 -5.232 -6.253 -5.912 1.00 0.00 C ATOM 1511 CE2 PHE A 101 -5.867 -5.667 -8.103 1.00 0.00 C ATOM 1512 CZ PHE A 101 -5.141 -5.418 -6.981 1.00 0.00 C ATOM 0 H PHE A 101 -5.718 -9.689 -8.121 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.853 -10.061 -5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.039 -9.018 -8.183 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.639 -8.644 -6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.160 -8.049 -5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.299 -6.998 -9.050 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.654 -6.055 -5.021 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.794 -5.003 -8.952 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.491 -4.556 -6.939 1.00 0.00 H new ATOM 1522 N PRO A 102 -8.880 -11.536 -5.698 1.00 0.00 N ATOM 1523 CA PRO A 102 -9.868 -12.601 -5.715 1.00 0.00 C ATOM 1524 C PRO A 102 -11.083 -12.208 -6.557 1.00 0.00 C ATOM 1525 O PRO A 102 -12.045 -12.968 -6.657 1.00 0.00 O ATOM 1526 CB PRO A 102 -10.210 -12.844 -4.255 1.00 0.00 C ATOM 1527 CG PRO A 102 -9.755 -11.600 -3.508 1.00 0.00 C ATOM 1528 CD PRO A 102 -8.852 -10.804 -4.435 1.00 0.00 C ATOM 0 HA PRO A 102 -9.495 -13.514 -6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.280 -13.007 -4.126 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.704 -13.733 -3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.614 -11.001 -3.205 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.221 -11.875 -2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.214 -9.784 -4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.839 -10.736 -4.039 1.00 0.00 H new ATOM 1536 N ASP A 103 -11.000 -11.022 -7.141 1.00 0.00 N ATOM 1537 CA ASP A 103 -12.081 -10.519 -7.971 1.00 0.00 C ATOM 1538 C ASP A 103 -11.526 -10.126 -9.342 1.00 0.00 C ATOM 1539 O ASP A 103 -12.087 -9.267 -10.020 1.00 0.00 O ATOM 1540 CB ASP A 103 -12.722 -9.277 -7.348 1.00 0.00 C ATOM 1541 CG ASP A 103 -14.048 -8.848 -7.979 1.00 0.00 C ATOM 1542 OD1 ASP A 103 -14.581 -9.647 -8.779 1.00 0.00 O ATOM 1543 OD2 ASP A 103 -14.499 -7.731 -7.647 1.00 0.00 O ATOM 0 H ASP A 103 -10.200 -10.394 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.830 -11.306 -8.061 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.886 -9.465 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.018 -8.448 -7.420 1.00 0.00 H new ATOM 1548 N SER A 104 -10.430 -10.774 -9.709 1.00 0.00 N ATOM 1549 CA SER A 104 -9.793 -10.504 -10.986 1.00 0.00 C ATOM 1550 C SER A 104 -8.584 -11.423 -11.173 1.00 0.00 C ATOM 1551 O SER A 104 -8.011 -11.907 -10.198 1.00 0.00 O ATOM 1552 CB SER A 104 -9.366 -9.038 -11.090 1.00 0.00 C ATOM 1553 OG SER A 104 -9.582 -8.510 -12.395 1.00 0.00 O ATOM 0 H SER A 104 -9.967 -11.486 -9.144 1.00 0.00 H new ATOM 0 HA SER A 104 -10.517 -10.701 -11.777 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.922 -8.446 -10.363 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.310 -8.949 -10.833 1.00 0.00 H new ATOM 0 HG SER A 104 -9.299 -7.572 -12.420 1.00 0.00 H new