USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=21 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 73 GLN : amide:sc= 0.0252 X(o=0.13,f=0.078) USER MOD Set 1.2: A 100 TYR OH : rot -59:sc= 0.109 USER MOD Set 2.1: A 79 SER OG : rot -81:sc= 1.59 USER MOD Set 2.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 150:sc= -1.82 (180deg=-3.26!) USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00124) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.0192 (180deg=-0.203) USER MOD Single : A 26 ASN : amide:sc= -8.01! C(o=-8!,f=-11!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -2.11 F(o=-4.6!,f=-2.1) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.792 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.224 USER MOD Single : A 49 SER OG : rot 180:sc= 0 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= 0.122 K(o=0.12,f=-1.1) USER MOD Single : A 57 GLN :FLIP amide:sc= 0.975 F(o=-0.11,f=0.98) USER MOD Single : A 61 MET CE :methyl 164:sc= -0.634 (180deg=-1.93!) USER MOD Single : A 63 SER OG : rot -144:sc= 0.211 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -1.37 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 94 SER OG : rot -110:sc= -0.617 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -6.757 -1.353 5.352 1.00 0.00 N ATOM 67 CA LEU A 8 -6.530 -2.166 4.169 1.00 0.00 C ATOM 68 C LEU A 8 -7.674 -1.948 3.178 1.00 0.00 C ATOM 69 O LEU A 8 -7.473 -1.373 2.109 1.00 0.00 O ATOM 70 CB LEU A 8 -6.324 -3.632 4.558 1.00 0.00 C ATOM 71 CG LEU A 8 -4.952 -3.986 5.135 1.00 0.00 C ATOM 72 CD1 LEU A 8 -4.551 -3.005 6.239 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.919 -5.437 5.619 1.00 0.00 C ATOM 0 HA LEU A 8 -5.611 -1.861 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.085 -3.904 5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.495 -4.249 3.676 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.213 -3.894 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.572 -3.280 6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.508 -1.995 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.287 -3.040 7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.933 -5.663 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.671 -5.579 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.129 -6.104 4.783 1.00 0.00 H new ATOM 85 N GLY A 9 -8.850 -2.419 3.567 1.00 0.00 N ATOM 86 CA GLY A 9 -10.027 -2.283 2.726 1.00 0.00 C ATOM 87 C GLY A 9 -9.926 -1.039 1.840 1.00 0.00 C ATOM 88 O GLY A 9 -9.776 -1.149 0.624 1.00 0.00 O ATOM 0 H GLY A 9 -9.013 -2.896 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.138 -3.170 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.919 -2.219 3.350 1.00 0.00 H new ATOM 92 N ALA A 10 -10.014 0.115 2.485 1.00 0.00 N ATOM 93 CA ALA A 10 -9.935 1.378 1.771 1.00 0.00 C ATOM 94 C ALA A 10 -8.719 1.360 0.843 1.00 0.00 C ATOM 95 O ALA A 10 -8.851 1.564 -0.363 1.00 0.00 O ATOM 96 CB ALA A 10 -9.883 2.531 2.776 1.00 0.00 C ATOM 0 H ALA A 10 -10.139 0.202 3.494 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.820 1.524 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.824 3.478 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.782 2.518 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.006 2.419 3.413 1.00 0.00 H new ATOM 102 N LEU A 11 -7.562 1.112 1.440 1.00 0.00 N ATOM 103 CA LEU A 11 -6.324 1.064 0.682 1.00 0.00 C ATOM 104 C LEU A 11 -6.500 0.127 -0.515 1.00 0.00 C ATOM 105 O LEU A 11 -6.290 0.528 -1.658 1.00 0.00 O ATOM 106 CB LEU A 11 -5.153 0.687 1.591 1.00 0.00 C ATOM 107 CG LEU A 11 -4.085 -0.216 0.971 1.00 0.00 C ATOM 108 CD1 LEU A 11 -4.512 -1.684 1.021 1.00 0.00 C ATOM 109 CD2 LEU A 11 -3.745 0.235 -0.452 1.00 0.00 C ATOM 0 H LEU A 11 -7.456 0.942 2.440 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.083 2.050 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.672 1.605 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.551 0.190 2.476 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.175 -0.126 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.735 -2.304 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.664 -1.984 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.442 -1.812 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.983 -0.423 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.641 0.192 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.368 1.257 -0.429 1.00 0.00 H new ATOM 121 N TYR A 12 -6.882 -1.104 -0.210 1.00 0.00 N ATOM 122 CA TYR A 12 -7.088 -2.102 -1.246 1.00 0.00 C ATOM 123 C TYR A 12 -8.000 -1.564 -2.351 1.00 0.00 C ATOM 124 O TYR A 12 -7.652 -1.621 -3.530 1.00 0.00 O ATOM 125 CB TYR A 12 -7.779 -3.284 -0.562 1.00 0.00 C ATOM 126 CG TYR A 12 -8.179 -4.409 -1.519 1.00 0.00 C ATOM 127 CD1 TYR A 12 -7.221 -5.023 -2.300 1.00 0.00 C ATOM 128 CD2 TYR A 12 -9.497 -4.810 -1.599 1.00 0.00 C ATOM 129 CE1 TYR A 12 -7.598 -6.082 -3.200 1.00 0.00 C ATOM 130 CE2 TYR A 12 -9.873 -5.870 -2.499 1.00 0.00 C ATOM 131 CZ TYR A 12 -8.905 -6.453 -3.255 1.00 0.00 C ATOM 132 OH TYR A 12 -9.260 -7.454 -4.105 1.00 0.00 O ATOM 0 H TYR A 12 -7.054 -1.433 0.740 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.139 -2.381 -1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.114 -3.689 0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.670 -2.923 -0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.189 -4.710 -2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.246 -4.329 -0.987 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.859 -6.571 -3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -10.901 -6.194 -2.572 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.225 -7.613 -4.038 1.00 0.00 H new ATOM 142 N LEU A 13 -9.149 -1.055 -1.932 1.00 0.00 N ATOM 143 CA LEU A 13 -10.112 -0.508 -2.871 1.00 0.00 C ATOM 144 C LEU A 13 -9.378 0.336 -3.915 1.00 0.00 C ATOM 145 O LEU A 13 -9.704 0.286 -5.100 1.00 0.00 O ATOM 146 CB LEU A 13 -11.212 0.253 -2.129 1.00 0.00 C ATOM 147 CG LEU A 13 -12.357 -0.596 -1.571 1.00 0.00 C ATOM 148 CD1 LEU A 13 -13.297 0.249 -0.711 1.00 0.00 C ATOM 149 CD2 LEU A 13 -13.102 -1.318 -2.696 1.00 0.00 C ATOM 0 H LEU A 13 -9.435 -1.010 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.618 -1.311 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.755 0.799 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.634 0.995 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.931 -1.362 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.101 -0.378 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.741 0.677 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.720 1.052 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.910 -1.914 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.516 -0.584 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.411 -1.971 -3.230 1.00 0.00 H new ATOM 161 N SER A 14 -8.400 1.091 -3.437 1.00 0.00 N ATOM 162 CA SER A 14 -7.616 1.944 -4.314 1.00 0.00 C ATOM 163 C SER A 14 -6.803 1.089 -5.288 1.00 0.00 C ATOM 164 O SER A 14 -6.828 1.323 -6.495 1.00 0.00 O ATOM 165 CB SER A 14 -6.690 2.858 -3.510 1.00 0.00 C ATOM 166 OG SER A 14 -6.652 4.180 -4.041 1.00 0.00 O ATOM 0 H SER A 14 -8.132 1.130 -2.453 1.00 0.00 H new ATOM 0 HA SER A 14 -8.302 2.574 -4.880 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.026 2.893 -2.474 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.683 2.440 -3.505 1.00 0.00 H new ATOM 0 HG SER A 14 -6.051 4.733 -3.499 1.00 0.00 H new ATOM 172 N MET A 15 -6.102 0.115 -4.726 1.00 0.00 N ATOM 173 CA MET A 15 -5.284 -0.777 -5.530 1.00 0.00 C ATOM 174 C MET A 15 -6.074 -1.323 -6.721 1.00 0.00 C ATOM 175 O MET A 15 -5.501 -1.611 -7.771 1.00 0.00 O ATOM 176 CB MET A 15 -4.796 -1.941 -4.664 1.00 0.00 C ATOM 177 CG MET A 15 -3.682 -1.491 -3.717 1.00 0.00 C ATOM 178 SD MET A 15 -3.408 -2.732 -2.464 1.00 0.00 S ATOM 179 CE MET A 15 -1.713 -3.164 -2.821 1.00 0.00 C ATOM 0 H MET A 15 -6.084 -0.076 -3.724 1.00 0.00 H new ATOM 0 HA MET A 15 -4.433 -0.213 -5.911 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.628 -2.343 -4.087 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.432 -2.746 -5.302 1.00 0.00 H new ATOM 0 HG2 MET A 15 -2.763 -1.320 -4.278 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.951 -0.544 -3.250 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.217 -3.479 -1.903 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.690 -3.979 -3.544 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.196 -2.298 -3.234 1.00 0.00 H new ATOM 189 N LYS A 16 -7.377 -1.448 -6.518 1.00 0.00 N ATOM 190 CA LYS A 16 -8.251 -1.954 -7.563 1.00 0.00 C ATOM 191 C LYS A 16 -8.202 -1.009 -8.765 1.00 0.00 C ATOM 192 O LYS A 16 -8.181 -1.458 -9.911 1.00 0.00 O ATOM 193 CB LYS A 16 -9.662 -2.181 -7.017 1.00 0.00 C ATOM 194 CG LYS A 16 -9.658 -3.233 -5.906 1.00 0.00 C ATOM 195 CD LYS A 16 -10.837 -4.197 -6.058 1.00 0.00 C ATOM 196 CE LYS A 16 -12.115 -3.595 -5.472 1.00 0.00 C ATOM 197 NZ LYS A 16 -12.916 -2.945 -6.533 1.00 0.00 N ATOM 0 H LYS A 16 -7.849 -1.208 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.907 -2.929 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.062 -1.243 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.321 -2.502 -7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.722 -3.791 -5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.709 -2.741 -4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.989 -4.428 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.610 -5.137 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.704 -4.376 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.861 -2.866 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.788 -2.556 -6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.364 -2.176 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.160 -3.645 -7.262 1.00 0.00 H new ATOM 211 N ASP A 17 -8.185 0.280 -8.463 1.00 0.00 N ATOM 212 CA ASP A 17 -8.139 1.292 -9.505 1.00 0.00 C ATOM 213 C ASP A 17 -6.916 1.049 -10.392 1.00 0.00 C ATOM 214 O ASP A 17 -5.780 1.195 -9.942 1.00 0.00 O ATOM 215 CB ASP A 17 -8.017 2.695 -8.906 1.00 0.00 C ATOM 216 CG ASP A 17 -8.711 3.801 -9.704 1.00 0.00 C ATOM 217 OD1 ASP A 17 -8.452 3.868 -10.925 1.00 0.00 O ATOM 218 OD2 ASP A 17 -9.484 4.555 -9.074 1.00 0.00 O ATOM 0 H ASP A 17 -8.202 0.648 -7.512 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.062 1.225 -10.081 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.431 2.681 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.960 2.943 -8.813 1.00 0.00 H new ATOM 223 N PRO A 18 -7.197 0.673 -11.668 1.00 0.00 N ATOM 224 CA PRO A 18 -6.133 0.409 -12.622 1.00 0.00 C ATOM 225 C PRO A 18 -5.496 1.712 -13.109 1.00 0.00 C ATOM 226 O PRO A 18 -4.567 1.690 -13.915 1.00 0.00 O ATOM 227 CB PRO A 18 -6.793 -0.383 -13.738 1.00 0.00 C ATOM 228 CG PRO A 18 -8.286 -0.135 -13.599 1.00 0.00 C ATOM 229 CD PRO A 18 -8.529 0.491 -12.235 1.00 0.00 C ATOM 0 HA PRO A 18 -5.308 -0.154 -12.186 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.432 -0.058 -14.714 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.564 -1.445 -13.651 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.639 0.526 -14.391 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.839 -1.070 -13.694 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.055 1.442 -12.324 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.142 -0.155 -11.606 1.00 0.00 H new ATOM 237 N GLU A 19 -6.023 2.817 -12.600 1.00 0.00 N ATOM 238 CA GLU A 19 -5.518 4.127 -12.973 1.00 0.00 C ATOM 239 C GLU A 19 -4.959 4.850 -11.746 1.00 0.00 C ATOM 240 O GLU A 19 -3.807 5.282 -11.747 1.00 0.00 O ATOM 241 CB GLU A 19 -6.606 4.961 -13.652 1.00 0.00 C ATOM 242 CG GLU A 19 -6.587 4.758 -15.168 1.00 0.00 C ATOM 243 CD GLU A 19 -6.984 6.042 -15.899 1.00 0.00 C ATOM 244 OE1 GLU A 19 -7.974 6.664 -15.456 1.00 0.00 O ATOM 245 OE2 GLU A 19 -6.289 6.373 -16.883 1.00 0.00 O ATOM 0 H GLU A 19 -6.794 2.831 -11.933 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.709 3.992 -13.691 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.583 4.682 -13.256 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.458 6.016 -13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.591 4.449 -15.484 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.272 3.954 -15.439 1.00 0.00 H new ATOM 252 N LYS A 20 -5.800 4.958 -10.728 1.00 0.00 N ATOM 253 CA LYS A 20 -5.405 5.621 -9.497 1.00 0.00 C ATOM 254 C LYS A 20 -4.974 4.570 -8.473 1.00 0.00 C ATOM 255 O LYS A 20 -4.883 4.860 -7.281 1.00 0.00 O ATOM 256 CB LYS A 20 -6.522 6.542 -9.002 1.00 0.00 C ATOM 257 CG LYS A 20 -6.581 7.827 -9.830 1.00 0.00 C ATOM 258 CD LYS A 20 -7.212 8.967 -9.028 1.00 0.00 C ATOM 259 CE LYS A 20 -8.708 9.084 -9.325 1.00 0.00 C ATOM 260 NZ LYS A 20 -8.993 10.329 -10.073 1.00 0.00 N ATOM 0 H LYS A 20 -6.754 4.597 -10.731 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.545 6.268 -9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.479 6.023 -9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.357 6.788 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.575 8.110 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.159 7.653 -10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.062 8.793 -7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.715 9.906 -9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.038 8.221 -9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.272 9.076 -8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.013 10.392 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.696 11.150 -9.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.470 10.321 -10.972 1.00 0.00 H new ATOM 274 N GLY A 21 -4.721 3.370 -8.974 1.00 0.00 N ATOM 275 CA GLY A 21 -4.302 2.274 -8.117 1.00 0.00 C ATOM 276 C GLY A 21 -3.205 1.443 -8.786 1.00 0.00 C ATOM 277 O GLY A 21 -2.477 1.944 -9.642 1.00 0.00 O ATOM 0 H GLY A 21 -4.798 3.132 -9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.937 2.668 -7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.157 1.638 -7.890 1.00 0.00 H new ATOM 281 N ILE A 22 -3.121 0.188 -8.371 1.00 0.00 N ATOM 282 CA ILE A 22 -2.125 -0.717 -8.919 1.00 0.00 C ATOM 283 C ILE A 22 -2.486 -1.048 -10.368 1.00 0.00 C ATOM 284 O ILE A 22 -3.641 -0.917 -10.769 1.00 0.00 O ATOM 285 CB ILE A 22 -1.972 -1.950 -8.026 1.00 0.00 C ATOM 286 CG1 ILE A 22 -0.591 -1.982 -7.366 1.00 0.00 C ATOM 287 CG2 ILE A 22 -2.263 -3.232 -8.807 1.00 0.00 C ATOM 288 CD1 ILE A 22 -0.546 -3.015 -6.239 1.00 0.00 C ATOM 0 H ILE A 22 -3.727 -0.224 -7.661 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.145 -0.240 -8.935 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.710 -1.886 -7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.167 -2.219 -8.112 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.350 -0.995 -6.970 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.147 -4.093 -8.149 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.284 -3.202 -9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.566 -3.316 -9.641 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.446 -3.017 -5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.289 -2.761 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.763 -4.004 -6.643 1.00 0.00 H new ATOM 300 N LYS A 23 -1.476 -1.472 -11.114 1.00 0.00 N ATOM 301 CA LYS A 23 -1.672 -1.823 -12.510 1.00 0.00 C ATOM 302 C LYS A 23 -1.920 -3.328 -12.623 1.00 0.00 C ATOM 303 O LYS A 23 -1.339 -4.115 -11.876 1.00 0.00 O ATOM 304 CB LYS A 23 -0.498 -1.328 -13.357 1.00 0.00 C ATOM 305 CG LYS A 23 -0.741 0.100 -13.851 1.00 0.00 C ATOM 306 CD LYS A 23 -0.342 0.247 -15.320 1.00 0.00 C ATOM 307 CE LYS A 23 0.676 1.375 -15.501 1.00 0.00 C ATOM 308 NZ LYS A 23 1.946 1.041 -14.819 1.00 0.00 N ATOM 0 H LYS A 23 -0.519 -1.580 -10.777 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.555 -1.323 -12.908 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.419 -1.362 -12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.355 -1.992 -14.209 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.793 0.357 -13.729 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.169 0.801 -13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.080 -0.691 -15.681 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.227 0.451 -15.922 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.859 1.541 -16.563 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.273 2.304 -15.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.723 1.582 -15.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.872 1.282 -13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.136 0.023 -14.918 1.00 0.00 H new ATOM 322 N GLU A 24 -2.785 -3.685 -13.561 1.00 0.00 N ATOM 323 CA GLU A 24 -3.117 -5.082 -13.781 1.00 0.00 C ATOM 324 C GLU A 24 -2.626 -5.534 -15.158 1.00 0.00 C ATOM 325 O GLU A 24 -3.198 -5.157 -16.180 1.00 0.00 O ATOM 326 CB GLU A 24 -4.621 -5.318 -13.631 1.00 0.00 C ATOM 327 CG GLU A 24 -5.165 -4.614 -12.386 1.00 0.00 C ATOM 328 CD GLU A 24 -6.686 -4.465 -12.461 1.00 0.00 C ATOM 329 OE1 GLU A 24 -7.289 -5.201 -13.271 1.00 0.00 O ATOM 330 OE2 GLU A 24 -7.211 -3.618 -11.706 1.00 0.00 O ATOM 0 H GLU A 24 -3.266 -3.030 -14.178 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.611 -5.679 -13.022 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.140 -4.952 -14.516 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.820 -6.388 -13.565 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.895 -5.182 -11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.704 -3.631 -12.289 1.00 0.00 H new ATOM 337 N LEU A 25 -1.571 -6.335 -15.141 1.00 0.00 N ATOM 338 CA LEU A 25 -0.997 -6.843 -16.376 1.00 0.00 C ATOM 339 C LEU A 25 -1.046 -8.372 -16.365 1.00 0.00 C ATOM 340 O LEU A 25 -1.191 -8.985 -15.309 1.00 0.00 O ATOM 341 CB LEU A 25 0.408 -6.274 -16.586 1.00 0.00 C ATOM 342 CG LEU A 25 0.524 -4.749 -16.567 1.00 0.00 C ATOM 343 CD1 LEU A 25 -0.364 -4.118 -17.642 1.00 0.00 C ATOM 344 CD2 LEU A 25 0.221 -4.193 -15.175 1.00 0.00 C ATOM 0 H LEU A 25 -1.098 -6.645 -14.292 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.582 -6.512 -17.234 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.061 -6.678 -15.812 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.785 -6.635 -17.543 1.00 0.00 H new ATOM 0 HG LEU A 25 1.554 -4.482 -16.803 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.263 -3.033 -17.607 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.059 -4.479 -18.624 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.404 -4.391 -17.462 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.311 -3.107 -15.190 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.793 -4.470 -14.885 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.929 -4.606 -14.456 1.00 0.00 H new ATOM 356 N ASN A 26 -0.924 -8.944 -17.554 1.00 0.00 N ATOM 357 CA ASN A 26 -0.953 -10.390 -17.695 1.00 0.00 C ATOM 358 C ASN A 26 0.464 -10.943 -17.529 1.00 0.00 C ATOM 359 O ASN A 26 1.386 -10.519 -18.224 1.00 0.00 O ATOM 360 CB ASN A 26 -1.460 -10.798 -19.080 1.00 0.00 C ATOM 361 CG ASN A 26 -1.750 -12.299 -19.137 1.00 0.00 C ATOM 362 OD1 ASN A 26 -2.888 -12.739 -19.120 1.00 0.00 O ATOM 363 ND2 ASN A 26 -0.660 -13.059 -19.205 1.00 0.00 N ATOM 0 H ASN A 26 -0.805 -8.432 -18.428 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.622 -10.790 -16.933 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.365 -10.240 -19.319 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.717 -10.539 -19.834 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.748 -14.074 -19.247 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.264 -12.626 -19.216 1.00 0.00 H new ATOM 370 N LEU A 27 0.594 -11.882 -16.602 1.00 0.00 N ATOM 371 CA LEU A 27 1.883 -12.497 -16.336 1.00 0.00 C ATOM 372 C LEU A 27 1.786 -14.003 -16.588 1.00 0.00 C ATOM 373 O LEU A 27 0.759 -14.619 -16.304 1.00 0.00 O ATOM 374 CB LEU A 27 2.367 -12.138 -14.929 1.00 0.00 C ATOM 375 CG LEU A 27 2.659 -10.658 -14.677 1.00 0.00 C ATOM 376 CD1 LEU A 27 2.686 -10.352 -13.179 1.00 0.00 C ATOM 377 CD2 LEU A 27 3.951 -10.228 -15.374 1.00 0.00 C ATOM 0 H LEU A 27 -0.172 -12.231 -16.026 1.00 0.00 H new ATOM 0 HA LEU A 27 2.640 -12.108 -17.017 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.614 -12.466 -14.213 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.273 -12.707 -14.722 1.00 0.00 H new ATOM 0 HG LEU A 27 1.849 -10.071 -15.110 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.896 -9.293 -13.028 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.719 -10.597 -12.740 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.463 -10.948 -12.700 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.135 -9.172 -15.179 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.784 -10.818 -14.992 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.855 -10.387 -16.448 1.00 0.00 H new ATOM 482 N VAL A 33 -1.391 -18.412 -17.536 1.00 0.00 N ATOM 483 CA VAL A 33 -1.555 -17.011 -17.885 1.00 0.00 C ATOM 484 C VAL A 33 -2.371 -16.312 -16.796 1.00 0.00 C ATOM 485 O VAL A 33 -3.597 -16.252 -16.876 1.00 0.00 O ATOM 486 CB VAL A 33 -2.182 -16.888 -19.275 1.00 0.00 C ATOM 487 CG1 VAL A 33 -2.683 -15.464 -19.525 1.00 0.00 C ATOM 488 CG2 VAL A 33 -1.196 -17.321 -20.361 1.00 0.00 C ATOM 0 HA VAL A 33 -0.587 -16.513 -17.936 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.041 -17.558 -19.317 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.124 -15.403 -20.520 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.434 -15.206 -18.778 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.848 -14.767 -19.455 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.667 -17.224 -21.339 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.309 -16.688 -20.321 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.908 -18.360 -20.198 1.00 0.00 H new ATOM 498 N PHE A 34 -1.658 -15.799 -15.804 1.00 0.00 N ATOM 499 CA PHE A 34 -2.301 -15.106 -14.700 1.00 0.00 C ATOM 500 C PHE A 34 -2.858 -13.755 -15.152 1.00 0.00 C ATOM 501 O PHE A 34 -2.100 -12.821 -15.410 1.00 0.00 O ATOM 502 CB PHE A 34 -1.229 -14.871 -13.634 1.00 0.00 C ATOM 503 CG PHE A 34 -0.582 -16.154 -13.109 1.00 0.00 C ATOM 504 CD1 PHE A 34 -1.348 -17.104 -12.507 1.00 0.00 C ATOM 505 CD2 PHE A 34 0.757 -16.345 -13.243 1.00 0.00 C ATOM 506 CE1 PHE A 34 -0.748 -18.295 -12.019 1.00 0.00 C ATOM 507 CE2 PHE A 34 1.357 -17.536 -12.756 1.00 0.00 C ATOM 508 CZ PHE A 34 0.592 -18.486 -12.154 1.00 0.00 C ATOM 0 H PHE A 34 -0.641 -15.849 -15.742 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.130 -15.702 -14.319 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.453 -14.228 -14.049 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.675 -14.332 -12.798 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.412 -16.952 -12.400 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.365 -15.590 -13.720 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.356 -19.049 -11.541 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.421 -17.688 -12.864 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.048 -19.392 -11.783 1.00 0.00 H new ATOM 518 N ASN A 35 -4.179 -13.693 -15.235 1.00 0.00 N ATOM 519 CA ASN A 35 -4.847 -12.472 -15.651 1.00 0.00 C ATOM 520 C ASN A 35 -4.982 -11.535 -14.450 1.00 0.00 C ATOM 521 O ASN A 35 -5.095 -11.990 -13.313 1.00 0.00 O ATOM 522 CB ASN A 35 -6.252 -12.765 -16.182 1.00 0.00 C ATOM 523 CG ASN A 35 -6.269 -12.772 -17.712 1.00 0.00 C ATOM 524 OD1 ASN A 35 -6.199 -11.742 -18.364 1.00 0.00 O ATOM 525 ND2 ASN A 35 -6.367 -13.985 -18.247 1.00 0.00 N ATOM 0 H ASN A 35 -4.805 -14.469 -15.021 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.251 -12.015 -16.441 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.593 -13.730 -15.806 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.949 -12.014 -15.810 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.387 -14.095 -19.261 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.422 -14.806 -17.644 1.00 0.00 H new ATOM 532 N HIS A 36 -4.967 -10.242 -14.743 1.00 0.00 N ATOM 533 CA HIS A 36 -5.086 -9.237 -13.701 1.00 0.00 C ATOM 534 C HIS A 36 -4.277 -9.669 -12.476 1.00 0.00 C ATOM 535 O HIS A 36 -4.814 -9.758 -11.373 1.00 0.00 O ATOM 536 CB HIS A 36 -6.556 -8.965 -13.374 1.00 0.00 C ATOM 537 CG HIS A 36 -7.501 -9.241 -14.520 1.00 0.00 C ATOM 538 ND1 HIS A 36 -8.279 -10.328 -14.790 1.00 0.00 N flip ATOM 539 CD2 HIS A 36 -7.720 -8.338 -15.545 1.00 0.00 C flip ATOM 540 CE1 HIS A 36 -8.939 -10.101 -15.919 1.00 0.00 C flip ATOM 541 NE2 HIS A 36 -8.594 -8.868 -16.389 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.874 -9.868 -15.687 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.671 -8.293 -14.053 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.847 -9.577 -12.521 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.664 -7.924 -13.070 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -8.343 -11.172 -14.221 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.258 -7.367 -15.641 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.635 -10.781 -16.388 1.00 0.00 H new ATOM 549 N CYS A 37 -2.999 -9.926 -12.711 1.00 0.00 N ATOM 550 CA CYS A 37 -2.111 -10.346 -11.641 1.00 0.00 C ATOM 551 C CYS A 37 -1.187 -9.177 -11.296 1.00 0.00 C ATOM 552 O CYS A 37 -1.157 -8.174 -12.008 1.00 0.00 O ATOM 553 CB CYS A 37 -1.324 -11.603 -12.020 1.00 0.00 C ATOM 554 SG CYS A 37 -1.065 -12.649 -10.541 1.00 0.00 S ATOM 0 H CYS A 37 -2.557 -9.851 -13.627 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.698 -10.615 -10.763 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.864 -12.164 -12.782 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.363 -11.324 -12.451 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.398 -13.714 -10.874 1.00 0.00 H new ATOM 560 N LEU A 38 -0.456 -9.344 -10.204 1.00 0.00 N ATOM 561 CA LEU A 38 0.466 -8.314 -9.756 1.00 0.00 C ATOM 562 C LEU A 38 1.823 -8.950 -9.447 1.00 0.00 C ATOM 563 O LEU A 38 2.203 -9.942 -10.067 1.00 0.00 O ATOM 564 CB LEU A 38 -0.130 -7.535 -8.581 1.00 0.00 C ATOM 565 CG LEU A 38 -1.658 -7.473 -8.523 1.00 0.00 C ATOM 566 CD1 LEU A 38 -2.134 -6.934 -7.173 1.00 0.00 C ATOM 567 CD2 LEU A 38 -2.218 -6.663 -9.694 1.00 0.00 C ATOM 0 H LEU A 38 -0.483 -10.177 -9.616 1.00 0.00 H new ATOM 0 HA LEU A 38 0.629 -7.580 -10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.231 -7.981 -7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.254 -6.515 -8.615 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.045 -8.487 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.223 -6.900 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.780 -7.587 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.738 -5.930 -7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.306 -6.634 -9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.825 -5.647 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.923 -7.130 -10.634 1.00 0.00 H new ATOM 579 N THR A 39 2.516 -8.353 -8.488 1.00 0.00 N ATOM 580 CA THR A 39 3.822 -8.849 -8.089 1.00 0.00 C ATOM 581 C THR A 39 4.183 -8.338 -6.693 1.00 0.00 C ATOM 582 O THR A 39 4.121 -7.138 -6.432 1.00 0.00 O ATOM 583 CB THR A 39 4.831 -8.442 -9.165 1.00 0.00 C ATOM 584 OG1 THR A 39 4.431 -7.125 -9.536 1.00 0.00 O ATOM 585 CG2 THR A 39 4.675 -9.255 -10.452 1.00 0.00 C ATOM 0 H THR A 39 2.197 -7.530 -7.976 1.00 0.00 H new ATOM 0 HA THR A 39 3.826 -9.936 -8.014 1.00 0.00 H new ATOM 0 HB THR A 39 5.843 -8.565 -8.778 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.033 -6.783 -10.229 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.415 -8.926 -11.182 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.825 -10.313 -10.235 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.674 -9.106 -10.857 1.00 0.00 H new ATOM 593 N GLY A 40 4.552 -9.275 -5.832 1.00 0.00 N ATOM 594 CA GLY A 40 4.923 -8.935 -4.469 1.00 0.00 C ATOM 595 C GLY A 40 5.705 -7.620 -4.426 1.00 0.00 C ATOM 596 O GLY A 40 5.429 -6.757 -3.594 1.00 0.00 O ATOM 0 H GLY A 40 4.602 -10.270 -6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.027 -8.850 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.527 -9.736 -4.042 1.00 0.00 H new ATOM 600 N SER A 41 6.665 -7.510 -5.332 1.00 0.00 N ATOM 601 CA SER A 41 7.489 -6.315 -5.408 1.00 0.00 C ATOM 602 C SER A 41 6.654 -5.134 -5.907 1.00 0.00 C ATOM 603 O SER A 41 6.529 -4.123 -5.218 1.00 0.00 O ATOM 604 CB SER A 41 8.696 -6.535 -6.322 1.00 0.00 C ATOM 605 OG SER A 41 9.197 -5.310 -6.848 1.00 0.00 O ATOM 0 H SER A 41 6.891 -8.228 -6.020 1.00 0.00 H new ATOM 0 HA SER A 41 7.861 -6.092 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.485 -7.040 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.414 -7.194 -7.143 1.00 0.00 H new ATOM 0 HG SER A 41 9.968 -5.493 -7.425 1.00 0.00 H new ATOM 611 N GLY A 42 6.103 -5.302 -7.100 1.00 0.00 N ATOM 612 CA GLY A 42 5.284 -4.263 -7.699 1.00 0.00 C ATOM 613 C GLY A 42 4.251 -3.736 -6.701 1.00 0.00 C ATOM 614 O GLY A 42 4.130 -2.527 -6.508 1.00 0.00 O ATOM 0 H GLY A 42 6.208 -6.143 -7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.919 -3.444 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.776 -4.657 -8.579 1.00 0.00 H new ATOM 618 N VAL A 43 3.532 -4.668 -6.094 1.00 0.00 N ATOM 619 CA VAL A 43 2.514 -4.313 -5.120 1.00 0.00 C ATOM 620 C VAL A 43 3.064 -3.234 -4.184 1.00 0.00 C ATOM 621 O VAL A 43 2.384 -2.250 -3.899 1.00 0.00 O ATOM 622 CB VAL A 43 2.040 -5.564 -4.378 1.00 0.00 C ATOM 623 CG1 VAL A 43 1.166 -5.191 -3.179 1.00 0.00 C ATOM 624 CG2 VAL A 43 1.300 -6.514 -5.322 1.00 0.00 C ATOM 0 H VAL A 43 3.634 -5.670 -6.258 1.00 0.00 H new ATOM 0 HA VAL A 43 1.638 -3.896 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 43 2.921 -6.085 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.842 -6.098 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.740 -4.572 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.293 -4.637 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.974 -7.395 -4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.431 -6.007 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.967 -6.818 -6.129 1.00 0.00 H new ATOM 634 N ILE A 44 4.289 -3.457 -3.732 1.00 0.00 N ATOM 635 CA ILE A 44 4.938 -2.517 -2.834 1.00 0.00 C ATOM 636 C ILE A 44 5.355 -1.273 -3.620 1.00 0.00 C ATOM 637 O ILE A 44 5.142 -0.148 -3.168 1.00 0.00 O ATOM 638 CB ILE A 44 6.094 -3.193 -2.094 1.00 0.00 C ATOM 639 CG1 ILE A 44 5.653 -4.529 -1.492 1.00 0.00 C ATOM 640 CG2 ILE A 44 6.692 -2.259 -1.041 1.00 0.00 C ATOM 641 CD1 ILE A 44 6.862 -5.402 -1.149 1.00 0.00 C ATOM 0 H ILE A 44 4.849 -4.275 -3.971 1.00 0.00 H new ATOM 0 HA ILE A 44 4.244 -2.188 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 44 6.881 -3.410 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.063 -4.350 -0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.009 -5.055 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.512 -2.764 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.067 -1.357 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.924 -1.989 -0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.520 -6.345 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.437 -5.600 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.491 -4.884 -0.425 1.00 0.00 H new ATOM 653 N ASP A 45 5.942 -1.515 -4.783 1.00 0.00 N ATOM 654 CA ASP A 45 6.391 -0.428 -5.636 1.00 0.00 C ATOM 655 C ASP A 45 5.300 0.642 -5.707 1.00 0.00 C ATOM 656 O ASP A 45 5.584 1.832 -5.579 1.00 0.00 O ATOM 657 CB ASP A 45 6.664 -0.921 -7.058 1.00 0.00 C ATOM 658 CG ASP A 45 7.779 -0.178 -7.797 1.00 0.00 C ATOM 659 OD1 ASP A 45 7.628 1.052 -7.963 1.00 0.00 O ATOM 660 OD2 ASP A 45 8.756 -0.857 -8.180 1.00 0.00 O ATOM 0 H ASP A 45 6.117 -2.449 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 45 7.310 -0.024 -5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.919 -1.980 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.745 -0.837 -7.638 1.00 0.00 H new ATOM 665 N TRP A 46 4.075 0.180 -5.911 1.00 0.00 N ATOM 666 CA TRP A 46 2.940 1.083 -6.001 1.00 0.00 C ATOM 667 C TRP A 46 2.833 1.841 -4.677 1.00 0.00 C ATOM 668 O TRP A 46 2.691 3.063 -4.666 1.00 0.00 O ATOM 669 CB TRP A 46 1.662 0.323 -6.361 1.00 0.00 C ATOM 670 CG TRP A 46 0.405 1.195 -6.382 1.00 0.00 C ATOM 671 CD1 TRP A 46 -0.069 1.935 -7.393 1.00 0.00 C ATOM 672 CD2 TRP A 46 -0.526 1.387 -5.296 1.00 0.00 C ATOM 673 NE1 TRP A 46 -1.232 2.589 -7.040 1.00 0.00 N ATOM 674 CE2 TRP A 46 -1.519 2.245 -5.724 1.00 0.00 C ATOM 675 CE3 TRP A 46 -0.529 0.855 -3.995 1.00 0.00 C ATOM 676 CZ2 TRP A 46 -2.588 2.645 -4.914 1.00 0.00 C ATOM 677 CZ3 TRP A 46 -1.605 1.265 -3.197 1.00 0.00 C ATOM 678 CH2 TRP A 46 -2.612 2.127 -3.614 1.00 0.00 C ATOM 0 H TRP A 46 3.844 -0.808 -6.017 1.00 0.00 H new ATOM 0 HA TRP A 46 3.084 1.805 -6.804 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.789 -0.137 -7.341 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.519 -0.486 -5.645 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.400 2.010 -8.363 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.780 3.210 -7.635 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.238 0.183 -3.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.353 3.317 -5.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.655 0.885 -2.187 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.410 2.396 -2.938 1.00 0.00 H new ATOM 689 N LEU A 47 2.905 1.085 -3.591 1.00 0.00 N ATOM 690 CA LEU A 47 2.817 1.670 -2.264 1.00 0.00 C ATOM 691 C LEU A 47 3.828 2.813 -2.148 1.00 0.00 C ATOM 692 O LEU A 47 3.456 3.947 -1.849 1.00 0.00 O ATOM 693 CB LEU A 47 2.982 0.592 -1.191 1.00 0.00 C ATOM 694 CG LEU A 47 1.892 -0.480 -1.144 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.424 -1.777 -0.532 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.650 0.033 -0.411 1.00 0.00 C ATOM 0 H LEU A 47 3.023 0.072 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 47 1.829 2.100 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.942 0.099 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.026 1.080 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 47 1.592 -0.707 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.629 -2.522 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.254 -2.149 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.769 -1.585 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.110 -0.748 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.917 0.305 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.257 0.908 -0.929 1.00 0.00 H new ATOM 708 N VAL A 48 5.086 2.475 -2.391 1.00 0.00 N ATOM 709 CA VAL A 48 6.152 3.459 -2.317 1.00 0.00 C ATOM 710 C VAL A 48 5.908 4.549 -3.363 1.00 0.00 C ATOM 711 O VAL A 48 5.993 5.738 -3.057 1.00 0.00 O ATOM 712 CB VAL A 48 7.510 2.772 -2.476 1.00 0.00 C ATOM 713 CG1 VAL A 48 8.645 3.798 -2.491 1.00 0.00 C ATOM 714 CG2 VAL A 48 7.728 1.729 -1.378 1.00 0.00 C ATOM 0 H VAL A 48 5.391 1.534 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 48 6.159 3.942 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 48 7.514 2.255 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.599 3.283 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.502 4.486 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.643 4.356 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.700 1.255 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.694 2.215 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.945 0.973 -1.434 1.00 0.00 H new ATOM 724 N SER A 49 5.608 4.105 -4.575 1.00 0.00 N ATOM 725 CA SER A 49 5.351 5.028 -5.667 1.00 0.00 C ATOM 726 C SER A 49 4.414 6.144 -5.200 1.00 0.00 C ATOM 727 O SER A 49 4.714 7.324 -5.372 1.00 0.00 O ATOM 728 CB SER A 49 4.751 4.301 -6.873 1.00 0.00 C ATOM 729 OG SER A 49 5.714 4.091 -7.902 1.00 0.00 O ATOM 0 H SER A 49 5.537 3.119 -4.824 1.00 0.00 H new ATOM 0 HA SER A 49 6.301 5.465 -5.976 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.347 3.341 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.918 4.882 -7.269 1.00 0.00 H new ATOM 0 HG SER A 49 5.293 3.623 -8.653 1.00 0.00 H new ATOM 735 N ASN A 50 3.297 5.730 -4.618 1.00 0.00 N ATOM 736 CA ASN A 50 2.314 6.680 -4.125 1.00 0.00 C ATOM 737 C ASN A 50 2.754 7.196 -2.754 1.00 0.00 C ATOM 738 O ASN A 50 2.298 8.248 -2.308 1.00 0.00 O ATOM 739 CB ASN A 50 0.943 6.020 -3.965 1.00 0.00 C ATOM 740 CG ASN A 50 0.104 6.182 -5.234 1.00 0.00 C ATOM 741 OD1 ASN A 50 -0.604 7.158 -5.420 1.00 0.00 O ATOM 742 ND2 ASN A 50 0.224 5.175 -6.094 1.00 0.00 N ATOM 0 H ASN A 50 3.051 4.750 -4.477 1.00 0.00 H new ATOM 0 HA ASN A 50 2.240 7.494 -4.846 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.069 4.961 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.418 6.464 -3.119 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.295 5.190 -6.972 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.835 4.388 -5.876 1.00 0.00 H new ATOM 749 N LYS A 51 3.634 6.433 -2.124 1.00 0.00 N ATOM 750 CA LYS A 51 4.140 6.800 -0.812 1.00 0.00 C ATOM 751 C LYS A 51 3.130 6.376 0.256 1.00 0.00 C ATOM 752 O LYS A 51 2.581 7.218 0.965 1.00 0.00 O ATOM 753 CB LYS A 51 4.491 8.289 -0.771 1.00 0.00 C ATOM 754 CG LYS A 51 5.282 8.701 -2.015 1.00 0.00 C ATOM 755 CD LYS A 51 6.785 8.536 -1.787 1.00 0.00 C ATOM 756 CE LYS A 51 7.474 7.999 -3.043 1.00 0.00 C ATOM 757 NZ LYS A 51 8.627 8.854 -3.408 1.00 0.00 N ATOM 0 H LYS A 51 4.010 5.562 -2.498 1.00 0.00 H new ATOM 0 HA LYS A 51 5.069 6.271 -0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.577 8.880 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.075 8.504 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.971 8.095 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.060 9.739 -2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.222 9.495 -1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.957 7.855 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.812 6.977 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.763 7.965 -3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.083 8.475 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.296 9.823 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.312 8.865 -2.626 1.00 0.00 H new ATOM 771 N LEU A 52 2.916 5.071 0.338 1.00 0.00 N ATOM 772 CA LEU A 52 1.982 4.526 1.308 1.00 0.00 C ATOM 773 C LEU A 52 2.749 4.095 2.561 1.00 0.00 C ATOM 774 O LEU A 52 2.150 3.864 3.610 1.00 0.00 O ATOM 775 CB LEU A 52 1.151 3.406 0.680 1.00 0.00 C ATOM 776 CG LEU A 52 -0.111 3.845 -0.065 1.00 0.00 C ATOM 777 CD1 LEU A 52 -0.892 2.635 -0.581 1.00 0.00 C ATOM 778 CD2 LEU A 52 -0.976 4.755 0.809 1.00 0.00 C ATOM 0 H LEU A 52 3.373 4.375 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 52 1.266 5.287 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.786 2.855 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.861 2.710 1.467 1.00 0.00 H new ATOM 0 HG LEU A 52 0.192 4.428 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.784 2.975 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.265 2.062 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.184 2.005 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.866 5.052 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.272 4.219 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.407 5.643 1.085 1.00 0.00 H new ATOM 790 N VAL A 53 4.061 3.999 2.409 1.00 0.00 N ATOM 791 CA VAL A 53 4.915 3.599 3.514 1.00 0.00 C ATOM 792 C VAL A 53 6.177 4.464 3.517 1.00 0.00 C ATOM 793 O VAL A 53 6.297 5.395 2.722 1.00 0.00 O ATOM 794 CB VAL A 53 5.218 2.102 3.427 1.00 0.00 C ATOM 795 CG1 VAL A 53 3.996 1.272 3.828 1.00 0.00 C ATOM 796 CG2 VAL A 53 5.704 1.721 2.028 1.00 0.00 C ATOM 0 H VAL A 53 4.554 4.191 1.537 1.00 0.00 H new ATOM 0 HA VAL A 53 4.408 3.760 4.465 1.00 0.00 H new ATOM 0 HB VAL A 53 6.020 1.881 4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.238 0.211 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.713 1.513 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.166 1.500 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.912 0.652 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.934 1.964 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.613 2.275 1.795 1.00 0.00 H new ATOM 806 N ARG A 54 7.086 4.126 4.419 1.00 0.00 N ATOM 807 CA ARG A 54 8.335 4.861 4.536 1.00 0.00 C ATOM 808 C ARG A 54 9.341 4.365 3.495 1.00 0.00 C ATOM 809 O ARG A 54 10.199 5.124 3.046 1.00 0.00 O ATOM 810 CB ARG A 54 8.938 4.704 5.933 1.00 0.00 C ATOM 811 CG ARG A 54 8.286 5.670 6.923 1.00 0.00 C ATOM 812 CD ARG A 54 9.164 6.903 7.146 1.00 0.00 C ATOM 813 NE ARG A 54 8.333 8.044 7.589 1.00 0.00 N ATOM 814 CZ ARG A 54 8.821 9.146 8.175 1.00 0.00 C ATOM 815 NH1 ARG A 54 10.138 9.262 8.392 1.00 0.00 N ATOM 816 NH2 ARG A 54 7.991 10.132 8.545 1.00 0.00 N ATOM 0 H ARG A 54 6.983 3.353 5.076 1.00 0.00 H new ATOM 0 HA ARG A 54 8.117 5.915 4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.804 3.679 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.011 4.889 5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.310 5.977 6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.117 5.163 7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.926 6.686 7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.686 7.159 6.224 1.00 0.00 H new ATOM 0 HE ARG A 54 7.326 7.988 7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.769 8.512 8.111 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.509 10.101 8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.988 10.043 8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.362 10.971 8.991 1.00 0.00 H new ATOM 830 N ASN A 55 9.202 3.096 3.141 1.00 0.00 N ATOM 831 CA ASN A 55 10.088 2.491 2.161 1.00 0.00 C ATOM 832 C ASN A 55 9.533 1.125 1.753 1.00 0.00 C ATOM 833 O ASN A 55 8.469 0.719 2.218 1.00 0.00 O ATOM 834 CB ASN A 55 11.488 2.279 2.742 1.00 0.00 C ATOM 835 CG ASN A 55 11.461 2.334 4.270 1.00 0.00 C ATOM 836 OD1 ASN A 55 11.818 3.324 4.888 1.00 0.00 O ATOM 837 ND2 ASN A 55 11.021 1.218 4.844 1.00 0.00 N ATOM 0 H ASN A 55 8.489 2.470 3.515 1.00 0.00 H new ATOM 0 HA ASN A 55 10.151 3.161 1.303 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.879 1.315 2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.164 3.043 2.359 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.967 1.154 5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.738 0.426 4.268 1.00 0.00 H new ATOM 844 N ARG A 56 10.279 0.453 0.889 1.00 0.00 N ATOM 845 CA ARG A 56 9.875 -0.859 0.413 1.00 0.00 C ATOM 846 C ARG A 56 9.646 -1.805 1.594 1.00 0.00 C ATOM 847 O ARG A 56 8.722 -2.616 1.573 1.00 0.00 O ATOM 848 CB ARG A 56 10.934 -1.459 -0.514 1.00 0.00 C ATOM 849 CG ARG A 56 10.483 -1.398 -1.975 1.00 0.00 C ATOM 850 CD ARG A 56 9.429 -2.467 -2.268 1.00 0.00 C ATOM 851 NE ARG A 56 10.062 -3.640 -2.910 1.00 0.00 N ATOM 852 CZ ARG A 56 10.276 -3.752 -4.228 1.00 0.00 C ATOM 853 NH1 ARG A 56 9.907 -2.762 -5.052 1.00 0.00 N ATOM 854 NH2 ARG A 56 10.858 -4.854 -4.721 1.00 0.00 N ATOM 0 H ARG A 56 11.161 0.793 0.506 1.00 0.00 H new ATOM 0 HA ARG A 56 8.947 -0.738 -0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.873 -0.918 -0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.125 -2.494 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.075 -0.411 -2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.342 -1.540 -2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.939 -2.769 -1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.656 -2.059 -2.919 1.00 0.00 H new ATOM 0 HE ARG A 56 10.354 -4.412 -2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.464 -1.924 -4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.070 -2.846 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.138 -5.607 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.021 -4.939 -5.724 1.00 0.00 H new ATOM 868 N GLN A 57 10.503 -1.668 2.595 1.00 0.00 N ATOM 869 CA GLN A 57 10.405 -2.500 3.782 1.00 0.00 C ATOM 870 C GLN A 57 8.987 -2.445 4.354 1.00 0.00 C ATOM 871 O GLN A 57 8.236 -3.414 4.255 1.00 0.00 O ATOM 872 CB GLN A 57 11.437 -2.081 4.831 1.00 0.00 C ATOM 873 CG GLN A 57 12.013 -3.302 5.551 1.00 0.00 C ATOM 874 CD GLN A 57 10.994 -3.897 6.525 1.00 0.00 C ATOM 875 OE1 GLN A 57 10.659 -5.155 6.255 1.00 0.00 O flip ATOM 876 NE2 GLN A 57 10.542 -3.255 7.459 1.00 0.00 N flip ATOM 0 H GLN A 57 11.268 -0.994 2.608 1.00 0.00 H new ATOM 0 HA GLN A 57 10.621 -3.530 3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.242 -1.523 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.973 -1.412 5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.305 -4.056 4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.915 -3.017 6.092 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.843 -2.292 7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.863 -3.681 8.090 1.00 0.00 H new ATOM 885 N GLU A 58 8.664 -1.301 4.940 1.00 0.00 N ATOM 886 CA GLU A 58 7.350 -1.107 5.528 1.00 0.00 C ATOM 887 C GLU A 58 6.277 -1.768 4.660 1.00 0.00 C ATOM 888 O GLU A 58 5.462 -2.544 5.157 1.00 0.00 O ATOM 889 CB GLU A 58 7.053 0.381 5.727 1.00 0.00 C ATOM 890 CG GLU A 58 7.470 0.840 7.126 1.00 0.00 C ATOM 891 CD GLU A 58 8.717 0.091 7.600 1.00 0.00 C ATOM 892 OE1 GLU A 58 9.807 0.422 7.087 1.00 0.00 O ATOM 893 OE2 GLU A 58 8.551 -0.796 8.465 1.00 0.00 O ATOM 0 H GLU A 58 9.290 -0.499 5.020 1.00 0.00 H new ATOM 0 HA GLU A 58 7.339 -1.581 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.584 0.965 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.989 0.566 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.667 1.912 7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.652 0.672 7.827 1.00 0.00 H new ATOM 900 N GLY A 59 6.311 -1.437 3.377 1.00 0.00 N ATOM 901 CA GLY A 59 5.352 -1.989 2.436 1.00 0.00 C ATOM 902 C GLY A 59 5.288 -3.514 2.549 1.00 0.00 C ATOM 903 O GLY A 59 4.205 -4.086 2.665 1.00 0.00 O ATOM 0 H GLY A 59 6.988 -0.793 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.366 -1.565 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.630 -1.707 1.420 1.00 0.00 H new ATOM 907 N LEU A 60 6.461 -4.128 2.513 1.00 0.00 N ATOM 908 CA LEU A 60 6.551 -5.575 2.611 1.00 0.00 C ATOM 909 C LEU A 60 5.684 -6.059 3.775 1.00 0.00 C ATOM 910 O LEU A 60 4.825 -6.921 3.597 1.00 0.00 O ATOM 911 CB LEU A 60 8.013 -6.015 2.709 1.00 0.00 C ATOM 912 CG LEU A 60 8.252 -7.516 2.886 1.00 0.00 C ATOM 913 CD1 LEU A 60 8.264 -7.897 4.368 1.00 0.00 C ATOM 914 CD2 LEU A 60 7.228 -8.331 2.093 1.00 0.00 C ATOM 0 H LEU A 60 7.357 -3.650 2.417 1.00 0.00 H new ATOM 0 HA LEU A 60 6.161 -6.043 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.531 -5.689 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.473 -5.493 3.548 1.00 0.00 H new ATOM 0 HG LEU A 60 9.236 -7.756 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.436 -8.969 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.060 -7.354 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.305 -7.640 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.420 -9.394 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.224 -8.093 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.310 -8.087 1.034 1.00 0.00 H new ATOM 926 N MET A 61 5.939 -5.482 4.940 1.00 0.00 N ATOM 927 CA MET A 61 5.193 -5.844 6.133 1.00 0.00 C ATOM 928 C MET A 61 3.695 -5.601 5.937 1.00 0.00 C ATOM 929 O MET A 61 2.883 -6.499 6.156 1.00 0.00 O ATOM 930 CB MET A 61 5.693 -5.016 7.319 1.00 0.00 C ATOM 931 CG MET A 61 7.193 -5.227 7.540 1.00 0.00 C ATOM 932 SD MET A 61 7.777 -4.144 8.833 1.00 0.00 S ATOM 933 CE MET A 61 6.380 -4.205 9.944 1.00 0.00 C ATOM 0 H MET A 61 6.652 -4.766 5.083 1.00 0.00 H new ATOM 0 HA MET A 61 5.348 -6.905 6.328 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.493 -3.960 7.140 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.146 -5.296 8.219 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.387 -6.265 7.809 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.737 -5.030 6.616 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.676 -3.824 10.922 1.00 0.00 H new ATOM 0 HE2 MET A 61 5.571 -3.592 9.546 1.00 0.00 H new ATOM 0 HE3 MET A 61 6.039 -5.236 10.044 1.00 0.00 H new ATOM 943 N ILE A 62 3.374 -4.383 5.527 1.00 0.00 N ATOM 944 CA ILE A 62 1.988 -4.011 5.299 1.00 0.00 C ATOM 945 C ILE A 62 1.358 -4.990 4.306 1.00 0.00 C ATOM 946 O ILE A 62 0.279 -5.525 4.557 1.00 0.00 O ATOM 947 CB ILE A 62 1.891 -2.547 4.864 1.00 0.00 C ATOM 948 CG1 ILE A 62 2.538 -1.624 5.899 1.00 0.00 C ATOM 949 CG2 ILE A 62 0.440 -2.156 4.575 1.00 0.00 C ATOM 950 CD1 ILE A 62 1.680 -1.529 7.162 1.00 0.00 C ATOM 0 H ILE A 62 4.050 -3.641 5.347 1.00 0.00 H new ATOM 0 HA ILE A 62 1.417 -4.084 6.225 1.00 0.00 H new ATOM 0 HB ILE A 62 2.448 -2.429 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.529 -1.998 6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.673 -0.631 5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.399 -1.111 4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.046 -2.785 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.160 -2.294 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.163 -0.867 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.698 -1.132 6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.567 -2.520 7.601 1.00 0.00 H new ATOM 962 N SER A 63 2.059 -5.195 3.201 1.00 0.00 N ATOM 963 CA SER A 63 1.582 -6.100 2.169 1.00 0.00 C ATOM 964 C SER A 63 0.983 -7.354 2.810 1.00 0.00 C ATOM 965 O SER A 63 -0.171 -7.694 2.556 1.00 0.00 O ATOM 966 CB SER A 63 2.709 -6.482 1.207 1.00 0.00 C ATOM 967 OG SER A 63 2.941 -5.472 0.230 1.00 0.00 O ATOM 0 H SER A 63 2.954 -4.750 2.998 1.00 0.00 H new ATOM 0 HA SER A 63 0.810 -5.588 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.624 -6.657 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.458 -7.418 0.708 1.00 0.00 H new ATOM 0 HG SER A 63 3.184 -5.891 -0.622 1.00 0.00 H new ATOM 973 N ALA A 64 1.796 -8.008 3.627 1.00 0.00 N ATOM 974 CA ALA A 64 1.361 -9.216 4.306 1.00 0.00 C ATOM 975 C ALA A 64 -0.050 -9.006 4.860 1.00 0.00 C ATOM 976 O ALA A 64 -0.919 -9.861 4.697 1.00 0.00 O ATOM 977 CB ALA A 64 2.368 -9.579 5.399 1.00 0.00 C ATOM 0 H ALA A 64 2.754 -7.724 3.834 1.00 0.00 H new ATOM 0 HA ALA A 64 1.320 -10.053 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.041 -10.486 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.347 -9.748 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.434 -8.763 6.118 1.00 0.00 H new ATOM 983 N SER A 65 -0.233 -7.862 5.504 1.00 0.00 N ATOM 984 CA SER A 65 -1.523 -7.528 6.083 1.00 0.00 C ATOM 985 C SER A 65 -2.621 -7.655 5.025 1.00 0.00 C ATOM 986 O SER A 65 -3.718 -8.128 5.317 1.00 0.00 O ATOM 987 CB SER A 65 -1.514 -6.116 6.671 1.00 0.00 C ATOM 988 OG SER A 65 -2.289 -6.029 7.864 1.00 0.00 O ATOM 0 H SER A 65 0.490 -7.155 5.637 1.00 0.00 H new ATOM 0 HA SER A 65 -1.725 -8.229 6.893 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.487 -5.818 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.903 -5.414 5.934 1.00 0.00 H new ATOM 0 HG SER A 65 -2.256 -5.112 8.209 1.00 0.00 H new ATOM 994 N LEU A 66 -2.286 -7.225 3.817 1.00 0.00 N ATOM 995 CA LEU A 66 -3.230 -7.285 2.714 1.00 0.00 C ATOM 996 C LEU A 66 -3.493 -8.748 2.352 1.00 0.00 C ATOM 997 O LEU A 66 -4.639 -9.196 2.356 1.00 0.00 O ATOM 998 CB LEU A 66 -2.734 -6.441 1.538 1.00 0.00 C ATOM 999 CG LEU A 66 -2.957 -4.932 1.655 1.00 0.00 C ATOM 1000 CD1 LEU A 66 -1.978 -4.162 0.766 1.00 0.00 C ATOM 1001 CD2 LEU A 66 -4.412 -4.568 1.354 1.00 0.00 C ATOM 0 H LEU A 66 -1.375 -6.834 3.578 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.186 -6.852 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.667 -6.622 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.227 -6.792 0.631 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.757 -4.636 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.158 -3.092 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.956 -4.388 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.122 -4.457 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.543 -3.490 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.663 -4.881 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.068 -5.074 2.063 1.00 0.00 H new ATOM 1013 N LEU A 67 -2.413 -9.453 2.048 1.00 0.00 N ATOM 1014 CA LEU A 67 -2.513 -10.856 1.685 1.00 0.00 C ATOM 1015 C LEU A 67 -3.312 -11.601 2.757 1.00 0.00 C ATOM 1016 O LEU A 67 -4.323 -12.232 2.455 1.00 0.00 O ATOM 1017 CB LEU A 67 -1.123 -11.445 1.434 1.00 0.00 C ATOM 1018 CG LEU A 67 -1.052 -12.968 1.309 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -1.565 -13.430 -0.056 1.00 0.00 C ATOM 1020 CD2 LEU A 67 0.363 -13.477 1.592 1.00 0.00 C ATOM 0 H LEU A 67 -1.464 -9.078 2.046 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.056 -10.968 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.724 -11.006 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.467 -11.136 2.248 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.707 -13.403 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.504 -14.516 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.602 -13.117 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.955 -12.986 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.385 -14.563 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.058 -13.036 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.655 -13.196 2.604 1.00 0.00 H new ATOM 1032 N SER A 68 -2.827 -11.501 3.986 1.00 0.00 N ATOM 1033 CA SER A 68 -3.484 -12.157 5.104 1.00 0.00 C ATOM 1034 C SER A 68 -5.003 -12.063 4.948 1.00 0.00 C ATOM 1035 O SER A 68 -5.672 -13.073 4.736 1.00 0.00 O ATOM 1036 CB SER A 68 -3.048 -11.543 6.436 1.00 0.00 C ATOM 1037 OG SER A 68 -2.812 -12.536 7.430 1.00 0.00 O ATOM 0 H SER A 68 -1.988 -10.976 4.232 1.00 0.00 H new ATOM 0 HA SER A 68 -3.190 -13.207 5.105 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.141 -10.958 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.817 -10.855 6.787 1.00 0.00 H new ATOM 0 HG SER A 68 -2.534 -12.104 8.265 1.00 0.00 H new ATOM 1043 N GLU A 69 -5.502 -10.841 5.058 1.00 0.00 N ATOM 1044 CA GLU A 69 -6.930 -10.602 4.931 1.00 0.00 C ATOM 1045 C GLU A 69 -7.506 -11.424 3.776 1.00 0.00 C ATOM 1046 O GLU A 69 -8.630 -11.916 3.860 1.00 0.00 O ATOM 1047 CB GLU A 69 -7.222 -9.112 4.743 1.00 0.00 C ATOM 1048 CG GLU A 69 -7.167 -8.369 6.079 1.00 0.00 C ATOM 1049 CD GLU A 69 -8.533 -8.376 6.767 1.00 0.00 C ATOM 1050 OE1 GLU A 69 -9.323 -7.453 6.469 1.00 0.00 O ATOM 1051 OE2 GLU A 69 -8.757 -9.303 7.575 1.00 0.00 O ATOM 0 H GLU A 69 -4.943 -10.006 5.234 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.415 -10.920 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.497 -8.680 4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.206 -8.985 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.426 -8.836 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.844 -7.341 5.914 1.00 0.00 H new ATOM 1058 N GLY A 70 -6.708 -11.548 2.726 1.00 0.00 N ATOM 1059 CA GLY A 70 -7.124 -12.302 1.555 1.00 0.00 C ATOM 1060 C GLY A 70 -7.344 -11.377 0.356 1.00 0.00 C ATOM 1061 O GLY A 70 -8.157 -11.671 -0.519 1.00 0.00 O ATOM 0 H GLY A 70 -5.776 -11.139 2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.367 -13.047 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.044 -12.843 1.775 1.00 0.00 H new ATOM 1065 N TYR A 71 -6.605 -10.277 0.355 1.00 0.00 N ATOM 1066 CA TYR A 71 -6.708 -9.307 -0.722 1.00 0.00 C ATOM 1067 C TYR A 71 -5.835 -9.713 -1.911 1.00 0.00 C ATOM 1068 O TYR A 71 -6.063 -9.266 -3.034 1.00 0.00 O ATOM 1069 CB TYR A 71 -6.189 -7.986 -0.151 1.00 0.00 C ATOM 1070 CG TYR A 71 -7.214 -7.228 0.695 1.00 0.00 C ATOM 1071 CD1 TYR A 71 -8.413 -6.834 0.136 1.00 0.00 C ATOM 1072 CD2 TYR A 71 -6.940 -6.938 2.016 1.00 0.00 C ATOM 1073 CE1 TYR A 71 -9.378 -6.121 0.932 1.00 0.00 C ATOM 1074 CE2 TYR A 71 -7.905 -6.225 2.812 1.00 0.00 C ATOM 1075 CZ TYR A 71 -9.077 -5.851 2.231 1.00 0.00 C ATOM 1076 OH TYR A 71 -9.988 -5.178 2.982 1.00 0.00 O ATOM 0 H TYR A 71 -5.932 -10.036 1.083 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.736 -9.234 -1.076 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.308 -8.187 0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.869 -7.347 -0.974 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.627 -7.060 -0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.002 -7.246 2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.320 -5.807 0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.703 -5.992 3.847 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.638 -5.057 3.890 1.00 0.00 H new ATOM 1086 N LEU A 72 -4.854 -10.555 -1.624 1.00 0.00 N ATOM 1087 CA LEU A 72 -3.946 -11.026 -2.655 1.00 0.00 C ATOM 1088 C LEU A 72 -4.002 -12.554 -2.720 1.00 0.00 C ATOM 1089 O LEU A 72 -3.738 -13.231 -1.727 1.00 0.00 O ATOM 1090 CB LEU A 72 -2.538 -10.472 -2.425 1.00 0.00 C ATOM 1091 CG LEU A 72 -2.382 -8.957 -2.570 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -2.801 -8.494 -3.966 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.146 -8.219 -1.468 1.00 0.00 C ATOM 0 H LEU A 72 -4.668 -10.924 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.254 -10.653 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.216 -10.756 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.859 -10.956 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.327 -8.709 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.680 -7.413 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.177 -8.983 -4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.845 -8.756 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.019 -7.144 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.205 -8.469 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.759 -8.518 -0.494 1.00 0.00 H new ATOM 1105 N GLN A 73 -4.347 -13.053 -3.898 1.00 0.00 N ATOM 1106 CA GLN A 73 -4.441 -14.488 -4.104 1.00 0.00 C ATOM 1107 C GLN A 73 -3.148 -15.021 -4.724 1.00 0.00 C ATOM 1108 O GLN A 73 -2.638 -14.453 -5.689 1.00 0.00 O ATOM 1109 CB GLN A 73 -5.651 -14.839 -4.973 1.00 0.00 C ATOM 1110 CG GLN A 73 -6.956 -14.430 -4.286 1.00 0.00 C ATOM 1111 CD GLN A 73 -7.561 -15.605 -3.515 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -7.739 -16.695 -4.033 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -7.865 -15.324 -2.251 1.00 0.00 N ATOM 0 H GLN A 73 -4.565 -12.489 -4.719 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.580 -14.966 -3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.570 -14.336 -5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.661 -15.910 -5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.768 -13.601 -3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.668 -14.074 -5.031 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.690 -14.390 -1.880 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.273 -16.042 -1.653 1.00 0.00 H new ATOM 1122 N PRO A 74 -2.642 -16.134 -4.129 1.00 0.00 N ATOM 1123 CA PRO A 74 -1.418 -16.750 -4.613 1.00 0.00 C ATOM 1124 C PRO A 74 -1.666 -17.516 -5.914 1.00 0.00 C ATOM 1125 O PRO A 74 -2.639 -18.261 -6.024 1.00 0.00 O ATOM 1126 CB PRO A 74 -0.952 -17.645 -3.476 1.00 0.00 C ATOM 1127 CG PRO A 74 -2.167 -17.856 -2.587 1.00 0.00 C ATOM 1128 CD PRO A 74 -3.219 -16.833 -2.985 1.00 0.00 C ATOM 0 HA PRO A 74 -0.651 -16.018 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.576 -18.595 -3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.138 -17.179 -2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.555 -18.868 -2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.897 -17.738 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.160 -17.315 -3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.432 -16.145 -2.167 1.00 0.00 H new ATOM 1136 N ALA A 75 -0.770 -17.307 -6.867 1.00 0.00 N ATOM 1137 CA ALA A 75 -0.880 -17.968 -8.156 1.00 0.00 C ATOM 1138 C ALA A 75 0.506 -18.437 -8.604 1.00 0.00 C ATOM 1139 O ALA A 75 1.213 -17.714 -9.305 1.00 0.00 O ATOM 1140 CB ALA A 75 -1.528 -17.017 -9.164 1.00 0.00 C ATOM 0 H ALA A 75 0.036 -16.689 -6.772 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.518 -18.849 -8.082 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.610 -17.513 -10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.522 -16.737 -8.814 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.914 -16.122 -9.266 1.00 0.00 H new ATOM 1146 N GLY A 76 0.854 -19.643 -8.180 1.00 0.00 N ATOM 1147 CA GLY A 76 2.143 -20.216 -8.528 1.00 0.00 C ATOM 1148 C GLY A 76 3.011 -20.411 -7.283 1.00 0.00 C ATOM 1149 O GLY A 76 2.612 -20.041 -6.180 1.00 0.00 O ATOM 0 H GLY A 76 0.265 -20.239 -7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.996 -21.174 -9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.656 -19.564 -9.235 1.00 0.00 H new ATOM 1153 N ASP A 77 4.182 -20.991 -7.503 1.00 0.00 N ATOM 1154 CA ASP A 77 5.109 -21.239 -6.412 1.00 0.00 C ATOM 1155 C ASP A 77 5.409 -19.923 -5.693 1.00 0.00 C ATOM 1156 O ASP A 77 4.838 -18.885 -6.026 1.00 0.00 O ATOM 1157 CB ASP A 77 6.432 -21.805 -6.933 1.00 0.00 C ATOM 1158 CG ASP A 77 7.085 -22.856 -6.033 1.00 0.00 C ATOM 1159 OD1 ASP A 77 6.565 -23.045 -4.912 1.00 0.00 O ATOM 1160 OD2 ASP A 77 8.088 -23.448 -6.486 1.00 0.00 O ATOM 0 H ASP A 77 4.510 -21.296 -8.420 1.00 0.00 H new ATOM 0 HA ASP A 77 4.649 -21.959 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.260 -22.246 -7.915 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.133 -20.982 -7.072 1.00 0.00 H new ATOM 1165 N LEU A 78 6.304 -20.007 -4.720 1.00 0.00 N ATOM 1166 CA LEU A 78 6.686 -18.835 -3.951 1.00 0.00 C ATOM 1167 C LEU A 78 5.472 -18.324 -3.171 1.00 0.00 C ATOM 1168 O LEU A 78 5.346 -18.579 -1.975 1.00 0.00 O ATOM 1169 CB LEU A 78 7.321 -17.781 -4.860 1.00 0.00 C ATOM 1170 CG LEU A 78 8.802 -17.984 -5.188 1.00 0.00 C ATOM 1171 CD1 LEU A 78 9.026 -19.310 -5.918 1.00 0.00 C ATOM 1172 CD2 LEU A 78 9.356 -16.795 -5.976 1.00 0.00 C ATOM 0 H LEU A 78 6.776 -20.869 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 78 7.451 -19.093 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.762 -17.752 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.204 -16.805 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 78 9.356 -18.036 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.087 -19.429 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.692 -20.134 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.459 -19.313 -6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.410 -16.964 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.803 -16.687 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.250 -15.886 -5.385 1.00 0.00 H new ATOM 1184 N SER A 79 4.611 -17.611 -3.882 1.00 0.00 N ATOM 1185 CA SER A 79 3.412 -17.062 -3.272 1.00 0.00 C ATOM 1186 C SER A 79 2.698 -18.141 -2.456 1.00 0.00 C ATOM 1187 O SER A 79 2.590 -18.033 -1.236 1.00 0.00 O ATOM 1188 CB SER A 79 2.469 -16.486 -4.331 1.00 0.00 C ATOM 1189 OG SER A 79 2.598 -15.071 -4.447 1.00 0.00 O ATOM 0 H SER A 79 4.720 -17.401 -4.874 1.00 0.00 H new ATOM 0 HA SER A 79 3.708 -16.250 -2.608 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.680 -16.950 -5.295 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.440 -16.737 -4.075 1.00 0.00 H new ATOM 0 HG SER A 79 2.086 -14.636 -3.734 1.00 0.00 H new ATOM 1195 N LYS A 80 2.228 -19.159 -3.164 1.00 0.00 N ATOM 1196 CA LYS A 80 1.527 -20.257 -2.521 1.00 0.00 C ATOM 1197 C LYS A 80 2.234 -20.609 -1.210 1.00 0.00 C ATOM 1198 O LYS A 80 1.659 -20.464 -0.133 1.00 0.00 O ATOM 1199 CB LYS A 80 1.389 -21.440 -3.482 1.00 0.00 C ATOM 1200 CG LYS A 80 -0.078 -21.843 -3.647 1.00 0.00 C ATOM 1201 CD LYS A 80 -0.211 -23.066 -4.556 1.00 0.00 C ATOM 1202 CE LYS A 80 0.261 -24.334 -3.842 1.00 0.00 C ATOM 1203 NZ LYS A 80 -0.870 -24.990 -3.148 1.00 0.00 N ATOM 0 H LYS A 80 2.319 -19.246 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 80 0.509 -19.962 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.809 -21.176 -4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.963 -22.287 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.511 -22.062 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.643 -21.010 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.250 -23.183 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.375 -22.915 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.701 -25.022 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.041 -24.084 -3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.532 -25.849 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.272 -24.337 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.602 -25.246 -3.842 1.00 0.00 H new ATOM 1217 N ASN A 81 3.470 -21.066 -1.345 1.00 0.00 N ATOM 1218 CA ASN A 81 4.261 -21.440 -0.185 1.00 0.00 C ATOM 1219 C ASN A 81 4.253 -20.290 0.824 1.00 0.00 C ATOM 1220 O ASN A 81 4.078 -20.511 2.021 1.00 0.00 O ATOM 1221 CB ASN A 81 5.714 -21.717 -0.575 1.00 0.00 C ATOM 1222 CG ASN A 81 6.192 -23.050 0.004 1.00 0.00 C ATOM 1223 OD1 ASN A 81 6.766 -23.120 1.079 1.00 0.00 O ATOM 1224 ND2 ASN A 81 5.925 -24.102 -0.765 1.00 0.00 N ATOM 0 H ASN A 81 3.943 -21.186 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 81 3.825 -22.342 0.244 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.806 -21.734 -1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.351 -20.910 -0.214 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.204 -25.036 -0.466 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.441 -23.974 -1.654 1.00 0.00 H new ATOM 1231 N ALA A 82 4.446 -19.087 0.303 1.00 0.00 N ATOM 1232 CA ALA A 82 4.464 -17.902 1.144 1.00 0.00 C ATOM 1233 C ALA A 82 3.328 -17.989 2.165 1.00 0.00 C ATOM 1234 O ALA A 82 3.560 -17.883 3.368 1.00 0.00 O ATOM 1235 CB ALA A 82 4.365 -16.652 0.267 1.00 0.00 C ATOM 0 H ALA A 82 4.591 -18.907 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 82 5.401 -17.839 1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.378 -15.763 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.210 -16.622 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.436 -16.679 -0.302 1.00 0.00 H new ATOM 1241 N ALA A 83 2.123 -18.181 1.648 1.00 0.00 N ATOM 1242 CA ALA A 83 0.951 -18.284 2.499 1.00 0.00 C ATOM 1243 C ALA A 83 0.731 -19.748 2.884 1.00 0.00 C ATOM 1244 O ALA A 83 -0.382 -20.261 2.782 1.00 0.00 O ATOM 1245 CB ALA A 83 -0.258 -17.683 1.779 1.00 0.00 C ATOM 0 H ALA A 83 1.934 -18.268 0.649 1.00 0.00 H new ATOM 0 HA ALA A 83 1.096 -17.719 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.138 -17.761 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.064 -16.634 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.435 -18.226 0.850 1.00 0.00 H new ATOM 1251 N ASP A 84 1.812 -20.381 3.318 1.00 0.00 N ATOM 1252 CA ASP A 84 1.752 -21.777 3.718 1.00 0.00 C ATOM 1253 C ASP A 84 2.082 -21.890 5.207 1.00 0.00 C ATOM 1254 O ASP A 84 1.232 -22.277 6.008 1.00 0.00 O ATOM 1255 CB ASP A 84 2.769 -22.616 2.943 1.00 0.00 C ATOM 1256 CG ASP A 84 2.632 -24.129 3.126 1.00 0.00 C ATOM 1257 OD1 ASP A 84 3.271 -24.646 4.068 1.00 0.00 O ATOM 1258 OD2 ASP A 84 1.892 -24.734 2.320 1.00 0.00 O ATOM 0 H ASP A 84 2.734 -19.953 3.401 1.00 0.00 H new ATOM 0 HA ASP A 84 0.748 -22.145 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.676 -22.384 1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.772 -22.317 3.248 1.00 0.00 H new ATOM 1263 N GLY A 85 3.319 -21.545 5.535 1.00 0.00 N ATOM 1264 CA GLY A 85 3.772 -21.604 6.914 1.00 0.00 C ATOM 1265 C GLY A 85 5.282 -21.377 7.005 1.00 0.00 C ATOM 1266 O GLY A 85 5.963 -22.020 7.803 1.00 0.00 O ATOM 0 H GLY A 85 4.021 -21.224 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.251 -20.850 7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.520 -22.574 7.342 1.00 0.00 H new ATOM 1270 N ILE A 86 5.762 -20.460 6.177 1.00 0.00 N ATOM 1271 CA ILE A 86 7.179 -20.140 6.154 1.00 0.00 C ATOM 1272 C ILE A 86 7.576 -19.508 7.489 1.00 0.00 C ATOM 1273 O ILE A 86 8.164 -20.171 8.343 1.00 0.00 O ATOM 1274 CB ILE A 86 7.512 -19.272 4.939 1.00 0.00 C ATOM 1275 CG1 ILE A 86 7.581 -20.116 3.664 1.00 0.00 C ATOM 1276 CG2 ILE A 86 8.799 -18.477 5.170 1.00 0.00 C ATOM 1277 CD1 ILE A 86 7.198 -19.287 2.437 1.00 0.00 C ATOM 0 H ILE A 86 5.194 -19.929 5.517 1.00 0.00 H new ATOM 0 HA ILE A 86 7.773 -21.047 6.041 1.00 0.00 H new ATOM 0 HB ILE A 86 6.707 -18.550 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.589 -20.512 3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.911 -20.971 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.013 -17.868 4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.676 -17.830 6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.626 -19.166 5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.255 -19.910 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.181 -18.913 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.885 -18.446 2.337 1.00 0.00 H new ATOM 1289 N ALA A 87 7.240 -18.234 7.628 1.00 0.00 N ATOM 1290 CA ALA A 87 7.554 -17.505 8.845 1.00 0.00 C ATOM 1291 C ALA A 87 6.347 -16.660 9.254 1.00 0.00 C ATOM 1292 O ALA A 87 5.206 -17.107 9.145 1.00 0.00 O ATOM 1293 CB ALA A 87 8.810 -16.659 8.623 1.00 0.00 C ATOM 0 H ALA A 87 6.753 -17.688 6.917 1.00 0.00 H new ATOM 0 HA ALA A 87 7.765 -18.195 9.662 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.046 -16.112 9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.645 -17.309 8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.634 -15.953 7.812 1.00 0.00 H new ATOM 1299 N GLU A 88 6.639 -15.454 9.718 1.00 0.00 N ATOM 1300 CA GLU A 88 5.591 -14.542 10.145 1.00 0.00 C ATOM 1301 C GLU A 88 5.170 -13.637 8.985 1.00 0.00 C ATOM 1302 O GLU A 88 4.108 -13.018 9.030 1.00 0.00 O ATOM 1303 CB GLU A 88 6.041 -13.715 11.351 1.00 0.00 C ATOM 1304 CG GLU A 88 7.077 -12.667 10.941 1.00 0.00 C ATOM 1305 CD GLU A 88 8.470 -13.045 11.450 1.00 0.00 C ATOM 1306 OE1 GLU A 88 8.736 -12.760 12.638 1.00 0.00 O ATOM 1307 OE2 GLU A 88 9.236 -13.611 10.641 1.00 0.00 O ATOM 0 H GLU A 88 7.586 -15.087 9.808 1.00 0.00 H new ATOM 0 HA GLU A 88 4.727 -15.131 10.453 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.179 -13.223 11.801 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.465 -14.373 12.110 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.095 -12.574 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.792 -11.693 11.340 1.00 0.00 H new ATOM 1314 N ASN A 89 6.025 -13.588 7.974 1.00 0.00 N ATOM 1315 CA ASN A 89 5.756 -12.769 6.805 1.00 0.00 C ATOM 1316 C ASN A 89 5.401 -13.674 5.624 1.00 0.00 C ATOM 1317 O ASN A 89 6.281 -14.285 5.019 1.00 0.00 O ATOM 1318 CB ASN A 89 6.984 -11.943 6.416 1.00 0.00 C ATOM 1319 CG ASN A 89 6.743 -10.453 6.662 1.00 0.00 C ATOM 1320 OD1 ASN A 89 7.215 -9.872 7.626 1.00 0.00 O ATOM 1321 ND2 ASN A 89 5.984 -9.867 5.740 1.00 0.00 N ATOM 0 H ASN A 89 6.905 -14.103 7.941 1.00 0.00 H new ATOM 0 HA ASN A 89 4.932 -12.098 7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.848 -12.275 6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.220 -12.108 5.365 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.766 -8.874 5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.620 -10.411 4.958 1.00 0.00 H new ATOM 1328 N PRO A 90 4.076 -13.733 5.323 1.00 0.00 N ATOM 1329 CA PRO A 90 3.594 -14.554 4.225 1.00 0.00 C ATOM 1330 C PRO A 90 3.906 -13.903 2.876 1.00 0.00 C ATOM 1331 O PRO A 90 4.064 -14.595 1.871 1.00 0.00 O ATOM 1332 CB PRO A 90 2.103 -14.712 4.477 1.00 0.00 C ATOM 1333 CG PRO A 90 1.723 -13.599 5.439 1.00 0.00 C ATOM 1334 CD PRO A 90 3.005 -13.024 6.017 1.00 0.00 C ATOM 0 HA PRO A 90 4.083 -15.527 4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.539 -14.634 3.547 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.880 -15.690 4.904 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.157 -12.825 4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.085 -13.983 6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.068 -11.949 5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.059 -13.182 7.094 1.00 0.00 H new ATOM 1342 N PHE A 91 3.987 -12.581 2.897 1.00 0.00 N ATOM 1343 CA PHE A 91 4.278 -11.830 1.688 1.00 0.00 C ATOM 1344 C PHE A 91 5.774 -11.862 1.369 1.00 0.00 C ATOM 1345 O PHE A 91 6.607 -11.774 2.270 1.00 0.00 O ATOM 1346 CB PHE A 91 3.856 -10.382 1.949 1.00 0.00 C ATOM 1347 CG PHE A 91 3.248 -9.683 0.731 1.00 0.00 C ATOM 1348 CD1 PHE A 91 1.915 -9.788 0.481 1.00 0.00 C ATOM 1349 CD2 PHE A 91 4.040 -8.955 -0.101 1.00 0.00 C ATOM 1350 CE1 PHE A 91 1.351 -9.139 -0.649 1.00 0.00 C ATOM 1351 CE2 PHE A 91 3.476 -8.306 -1.231 1.00 0.00 C ATOM 1352 CZ PHE A 91 2.144 -8.412 -1.481 1.00 0.00 C ATOM 0 H PHE A 91 3.856 -12.011 3.732 1.00 0.00 H new ATOM 0 HA PHE A 91 3.744 -12.264 0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.132 -10.366 2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.725 -9.816 2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.286 -10.365 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.098 -8.870 0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.293 -9.223 -0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.105 -7.728 -1.892 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.715 -7.919 -2.341 1.00 0.00 H new ATOM 1362 N LEU A 92 6.070 -11.990 0.084 1.00 0.00 N ATOM 1363 CA LEU A 92 7.451 -12.035 -0.365 1.00 0.00 C ATOM 1364 C LEU A 92 7.739 -10.812 -1.238 1.00 0.00 C ATOM 1365 O LEU A 92 7.248 -10.717 -2.362 1.00 0.00 O ATOM 1366 CB LEU A 92 7.746 -13.368 -1.057 1.00 0.00 C ATOM 1367 CG LEU A 92 7.598 -14.620 -0.191 1.00 0.00 C ATOM 1368 CD1 LEU A 92 7.530 -15.880 -1.056 1.00 0.00 C ATOM 1369 CD2 LEU A 92 8.715 -14.700 0.852 1.00 0.00 C ATOM 0 H LEU A 92 5.377 -12.064 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 92 8.130 -11.987 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.082 -13.464 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.765 -13.336 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 92 6.655 -14.551 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.425 -16.756 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.673 -15.815 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.444 -15.968 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.586 -15.599 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.681 -14.736 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.674 -13.822 1.497 1.00 0.00 H new ATOM 1381 N ASP A 93 8.535 -9.907 -0.688 1.00 0.00 N ATOM 1382 CA ASP A 93 8.895 -8.694 -1.403 1.00 0.00 C ATOM 1383 C ASP A 93 9.790 -9.053 -2.590 1.00 0.00 C ATOM 1384 O ASP A 93 10.978 -8.734 -2.596 1.00 0.00 O ATOM 1385 CB ASP A 93 9.671 -7.732 -0.500 1.00 0.00 C ATOM 1386 CG ASP A 93 10.401 -6.605 -1.232 1.00 0.00 C ATOM 1387 OD1 ASP A 93 9.754 -5.979 -2.100 1.00 0.00 O ATOM 1388 OD2 ASP A 93 11.589 -6.393 -0.908 1.00 0.00 O ATOM 0 H ASP A 93 8.941 -9.989 0.244 1.00 0.00 H new ATOM 0 HA ASP A 93 7.975 -8.214 -1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.978 -7.291 0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.400 -8.304 0.074 1.00 0.00 H new ATOM 1393 N SER A 94 9.186 -9.712 -3.568 1.00 0.00 N ATOM 1394 CA SER A 94 9.913 -10.118 -4.758 1.00 0.00 C ATOM 1395 C SER A 94 9.040 -9.919 -5.999 1.00 0.00 C ATOM 1396 O SER A 94 7.816 -10.016 -5.923 1.00 0.00 O ATOM 1397 CB SER A 94 10.366 -11.576 -4.657 1.00 0.00 C ATOM 1398 OG SER A 94 11.656 -11.776 -5.227 1.00 0.00 O ATOM 0 H SER A 94 8.200 -9.975 -3.560 1.00 0.00 H new ATOM 0 HA SER A 94 10.803 -9.494 -4.843 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.382 -11.879 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.643 -12.216 -5.163 1.00 0.00 H new ATOM 0 HG SER A 94 11.572 -12.297 -6.053 1.00 0.00 H new ATOM 1404 N PRO A 95 9.721 -9.637 -7.142 1.00 0.00 N ATOM 1405 CA PRO A 95 9.021 -9.423 -8.397 1.00 0.00 C ATOM 1406 C PRO A 95 8.523 -10.747 -8.979 1.00 0.00 C ATOM 1407 O PRO A 95 7.760 -10.757 -9.944 1.00 0.00 O ATOM 1408 CB PRO A 95 10.026 -8.720 -9.294 1.00 0.00 C ATOM 1409 CG PRO A 95 11.390 -8.982 -8.676 1.00 0.00 C ATOM 1410 CD PRO A 95 11.170 -9.514 -7.269 1.00 0.00 C ATOM 0 HA PRO A 95 8.122 -8.818 -8.279 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.978 -9.106 -10.312 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.820 -7.651 -9.348 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.948 -9.703 -9.274 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.980 -8.066 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.663 -10.476 -7.128 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.577 -8.834 -6.520 1.00 0.00 H new ATOM 1418 N ASP A 96 8.975 -11.833 -8.369 1.00 0.00 N ATOM 1419 CA ASP A 96 8.585 -13.159 -8.815 1.00 0.00 C ATOM 1420 C ASP A 96 7.186 -13.481 -8.284 1.00 0.00 C ATOM 1421 O ASP A 96 6.238 -13.607 -9.058 1.00 0.00 O ATOM 1422 CB ASP A 96 9.548 -14.224 -8.285 1.00 0.00 C ATOM 1423 CG ASP A 96 10.998 -14.072 -8.748 1.00 0.00 C ATOM 1424 OD1 ASP A 96 11.486 -12.922 -8.716 1.00 0.00 O ATOM 1425 OD2 ASP A 96 11.585 -15.109 -9.123 1.00 0.00 O ATOM 0 H ASP A 96 9.608 -11.821 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 96 8.603 -13.166 -9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.526 -14.202 -7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.185 -15.205 -8.592 1.00 0.00 H new ATOM 1430 N ALA A 97 7.102 -13.603 -6.967 1.00 0.00 N ATOM 1431 CA ALA A 97 5.835 -13.908 -6.324 1.00 0.00 C ATOM 1432 C ALA A 97 4.725 -13.083 -6.978 1.00 0.00 C ATOM 1433 O ALA A 97 4.771 -11.853 -6.966 1.00 0.00 O ATOM 1434 CB ALA A 97 5.949 -13.644 -4.821 1.00 0.00 C ATOM 0 H ALA A 97 7.890 -13.496 -6.328 1.00 0.00 H new ATOM 0 HA ALA A 97 5.583 -14.961 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.999 -13.873 -4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.731 -14.275 -4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.198 -12.596 -4.654 1.00 0.00 H new ATOM 1440 N PHE A 98 3.753 -13.792 -7.533 1.00 0.00 N ATOM 1441 CA PHE A 98 2.633 -13.141 -8.191 1.00 0.00 C ATOM 1442 C PHE A 98 1.358 -13.265 -7.354 1.00 0.00 C ATOM 1443 O PHE A 98 1.141 -14.279 -6.693 1.00 0.00 O ATOM 1444 CB PHE A 98 2.423 -13.854 -9.528 1.00 0.00 C ATOM 1445 CG PHE A 98 3.715 -14.112 -10.305 1.00 0.00 C ATOM 1446 CD1 PHE A 98 4.342 -13.086 -10.941 1.00 0.00 C ATOM 1447 CD2 PHE A 98 4.236 -15.367 -10.361 1.00 0.00 C ATOM 1448 CE1 PHE A 98 5.541 -13.325 -11.663 1.00 0.00 C ATOM 1449 CE2 PHE A 98 5.435 -15.606 -11.083 1.00 0.00 C ATOM 1450 CZ PHE A 98 6.062 -14.580 -11.719 1.00 0.00 C ATOM 0 H PHE A 98 3.718 -14.811 -7.540 1.00 0.00 H new ATOM 0 HA PHE A 98 2.846 -12.080 -8.325 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.924 -14.806 -9.346 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.753 -13.256 -10.146 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.928 -12.090 -10.897 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.738 -16.182 -9.856 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.039 -12.510 -12.168 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.849 -16.602 -11.127 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.974 -14.762 -12.269 1.00 0.00 H new ATOM 1460 N TYR A 99 0.548 -12.218 -7.409 1.00 0.00 N ATOM 1461 CA TYR A 99 -0.700 -12.197 -6.665 1.00 0.00 C ATOM 1462 C TYR A 99 -1.803 -11.500 -7.463 1.00 0.00 C ATOM 1463 O TYR A 99 -1.529 -10.588 -8.242 1.00 0.00 O ATOM 1464 CB TYR A 99 -0.419 -11.391 -5.395 1.00 0.00 C ATOM 1465 CG TYR A 99 0.273 -12.192 -4.290 1.00 0.00 C ATOM 1466 CD1 TYR A 99 -0.351 -13.293 -3.741 1.00 0.00 C ATOM 1467 CD2 TYR A 99 1.523 -11.813 -3.842 1.00 0.00 C ATOM 1468 CE1 TYR A 99 0.300 -14.047 -2.701 1.00 0.00 C ATOM 1469 CE2 TYR A 99 2.174 -12.567 -2.803 1.00 0.00 C ATOM 1470 CZ TYR A 99 1.531 -13.647 -2.284 1.00 0.00 C ATOM 1471 OH TYR A 99 2.146 -14.358 -1.302 1.00 0.00 O ATOM 0 H TYR A 99 0.732 -11.378 -7.957 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.037 -13.211 -6.451 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.203 -10.533 -5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.360 -10.999 -5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.329 -13.590 -4.091 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.012 -10.951 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.178 -14.910 -2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.152 -12.281 -2.444 1.00 0.00 H new ATOM 0 HH TYR A 99 3.019 -13.958 -1.106 1.00 0.00 H new ATOM 1481 N TYR A 100 -3.027 -11.955 -7.242 1.00 0.00 N ATOM 1482 CA TYR A 100 -4.174 -11.387 -7.931 1.00 0.00 C ATOM 1483 C TYR A 100 -5.356 -11.213 -6.976 1.00 0.00 C ATOM 1484 O TYR A 100 -5.564 -12.033 -6.083 1.00 0.00 O ATOM 1485 CB TYR A 100 -4.555 -12.395 -9.017 1.00 0.00 C ATOM 1486 CG TYR A 100 -5.152 -13.696 -8.477 1.00 0.00 C ATOM 1487 CD1 TYR A 100 -6.498 -13.768 -8.185 1.00 0.00 C ATOM 1488 CD2 TYR A 100 -4.343 -14.797 -8.283 1.00 0.00 C ATOM 1489 CE1 TYR A 100 -7.060 -14.993 -7.676 1.00 0.00 C ATOM 1490 CE2 TYR A 100 -4.905 -16.022 -7.774 1.00 0.00 C ATOM 1491 CZ TYR A 100 -6.235 -16.059 -7.496 1.00 0.00 C ATOM 1492 OH TYR A 100 -6.766 -17.216 -7.016 1.00 0.00 O ATOM 0 H TYR A 100 -3.250 -12.711 -6.595 1.00 0.00 H new ATOM 0 HA TYR A 100 -3.930 -10.406 -8.338 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.273 -11.931 -9.693 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.669 -12.631 -9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -7.131 -12.906 -8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.289 -14.740 -8.513 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.112 -15.063 -7.443 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -4.284 -16.891 -7.617 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.172 -17.051 -6.140 1.00 0.00 H new ATOM 1502 N PHE A 101 -6.100 -10.139 -7.197 1.00 0.00 N ATOM 1503 CA PHE A 101 -7.257 -9.846 -6.367 1.00 0.00 C ATOM 1504 C PHE A 101 -8.377 -10.860 -6.610 1.00 0.00 C ATOM 1505 O PHE A 101 -8.681 -11.191 -7.755 1.00 0.00 O ATOM 1506 CB PHE A 101 -7.751 -8.454 -6.764 1.00 0.00 C ATOM 1507 CG PHE A 101 -6.660 -7.382 -6.759 1.00 0.00 C ATOM 1508 CD1 PHE A 101 -5.751 -7.341 -5.748 1.00 0.00 C ATOM 1509 CD2 PHE A 101 -6.598 -6.469 -7.766 1.00 0.00 C ATOM 1510 CE1 PHE A 101 -4.738 -6.346 -5.744 1.00 0.00 C ATOM 1511 CE2 PHE A 101 -5.585 -5.474 -7.762 1.00 0.00 C ATOM 1512 CZ PHE A 101 -4.676 -5.433 -6.751 1.00 0.00 C ATOM 0 H PHE A 101 -5.924 -9.461 -7.939 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.981 -9.895 -5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.190 -8.506 -7.760 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.545 -8.153 -6.081 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -5.800 -8.065 -4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.320 -6.501 -8.569 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.016 -6.314 -4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.536 -4.750 -8.562 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.905 -4.676 -6.748 1.00 0.00 H new ATOM 1522 N PRO A 102 -8.974 -11.337 -5.486 1.00 0.00 N ATOM 1523 CA PRO A 102 -10.054 -12.306 -5.566 1.00 0.00 C ATOM 1524 C PRO A 102 -11.356 -11.641 -6.017 1.00 0.00 C ATOM 1525 O PRO A 102 -12.317 -11.568 -5.253 1.00 0.00 O ATOM 1526 CB PRO A 102 -10.146 -12.908 -4.173 1.00 0.00 C ATOM 1527 CG PRO A 102 -9.436 -11.932 -3.249 1.00 0.00 C ATOM 1528 CD PRO A 102 -8.640 -10.968 -4.114 1.00 0.00 C ATOM 0 HA PRO A 102 -9.869 -13.081 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.185 -13.043 -3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.675 -13.890 -4.140 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.158 -11.390 -2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.776 -12.465 -2.565 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.911 -9.933 -3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.570 -11.061 -3.928 1.00 0.00 H new ATOM 1536 N ASP A 103 -11.345 -11.173 -7.257 1.00 0.00 N ATOM 1537 CA ASP A 103 -12.513 -10.517 -7.819 1.00 0.00 C ATOM 1538 C ASP A 103 -12.209 -10.089 -9.256 1.00 0.00 C ATOM 1539 O ASP A 103 -13.063 -10.200 -10.134 1.00 0.00 O ATOM 1540 CB ASP A 103 -12.879 -9.265 -7.020 1.00 0.00 C ATOM 1541 CG ASP A 103 -14.304 -8.753 -7.237 1.00 0.00 C ATOM 1542 OD1 ASP A 103 -15.032 -9.411 -8.012 1.00 0.00 O ATOM 1543 OD2 ASP A 103 -14.634 -7.715 -6.624 1.00 0.00 O ATOM 0 H ASP A 103 -10.546 -11.235 -7.888 1.00 0.00 H new ATOM 0 HA ASP A 103 -13.344 -11.221 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.743 -9.476 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.180 -8.470 -7.279 1.00 0.00 H new ATOM 1548 N SER A 104 -10.990 -9.609 -9.452 1.00 0.00 N ATOM 1549 CA SER A 104 -10.563 -9.164 -10.767 1.00 0.00 C ATOM 1550 C SER A 104 -9.664 -10.221 -11.411 1.00 0.00 C ATOM 1551 O SER A 104 -9.742 -10.457 -12.616 1.00 0.00 O ATOM 1552 CB SER A 104 -9.830 -7.823 -10.684 1.00 0.00 C ATOM 1553 OG SER A 104 -10.088 -7.002 -11.820 1.00 0.00 O ATOM 0 H SER A 104 -10.284 -9.519 -8.721 1.00 0.00 H new ATOM 0 HA SER A 104 -11.450 -9.025 -11.385 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.137 -7.297 -9.780 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.758 -8.001 -10.601 1.00 0.00 H new ATOM 0 HG SER A 104 -9.604 -6.155 -11.728 1.00 0.00 H new