USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 686 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 75 ASN : amide:sc= -0.169 X(o=-3.5,f=-3.6) USER MOD Set 1.2: A 94 SER OG : rot 25:sc= -3.33 USER MOD Single : A 23 HIS : no HE2:sc= -1.86 K(o=-1.9,f=-2.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -130:sc= 0.326 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= -0.45 (180deg=-0.482) USER MOD Single : A 31 SER OG : rot 51:sc= 1.16 USER MOD Single : A 33 MET CE :methyl 155:sc= -1.21 (180deg=-2.31!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.58 F(o=-2.4,f=-1.6) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.12) USER MOD Single : A 79 THR OG1 : rot -25:sc= -0.532 USER MOD Single : A 84 CYS SG : rot 62:sc= -2.47! USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -6:sc= -1.44! USER MOD Single : A 105 ASN :FLIP amide:sc= -0.271 F(o=-0.82,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 20 -3.352 -14.336 -9.059 1.00 0.00 N ATOM 57 CA VAL A 20 -3.529 -12.994 -8.519 1.00 0.00 C ATOM 58 C VAL A 20 -3.303 -11.916 -9.572 1.00 0.00 C ATOM 59 O VAL A 20 -2.430 -12.040 -10.431 1.00 0.00 O ATOM 60 CB VAL A 20 -2.564 -12.726 -7.351 1.00 0.00 C ATOM 61 CG1 VAL A 20 -2.918 -13.590 -6.151 1.00 0.00 C ATOM 62 CG2 VAL A 20 -1.125 -12.963 -7.785 1.00 0.00 C ATOM 0 HA VAL A 20 -4.561 -12.949 -8.171 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.664 -11.682 -7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.223 -13.384 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.934 -13.364 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.851 -14.642 -6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.456 -12.769 -6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.009 -13.997 -8.111 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.878 -12.293 -8.609 1.00 0.00 H new ATOM 72 N GLU A 21 -4.075 -10.840 -9.471 1.00 0.00 N ATOM 73 CA GLU A 21 -3.944 -9.715 -10.380 1.00 0.00 C ATOM 74 C GLU A 21 -3.292 -8.562 -9.633 1.00 0.00 C ATOM 75 O GLU A 21 -3.764 -8.165 -8.565 1.00 0.00 O ATOM 76 CB GLU A 21 -5.311 -9.302 -10.933 1.00 0.00 C ATOM 77 CG GLU A 21 -6.244 -8.713 -9.889 1.00 0.00 C ATOM 78 CD GLU A 21 -7.705 -8.853 -10.265 1.00 0.00 C ATOM 79 OE1 GLU A 21 -7.994 -9.040 -11.466 1.00 0.00 O ATOM 80 OE2 GLU A 21 -8.561 -8.777 -9.359 1.00 0.00 O ATOM 0 H GLU A 21 -4.801 -10.726 -8.764 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.322 -9.999 -11.229 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.165 -8.572 -11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.788 -10.173 -11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.070 -9.206 -8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.008 -7.658 -9.751 1.00 0.00 H new ATOM 87 N LEU A 22 -2.188 -8.051 -10.162 1.00 0.00 N ATOM 88 CA LEU A 22 -1.470 -6.976 -9.491 1.00 0.00 C ATOM 89 C LEU A 22 -1.677 -5.622 -10.158 1.00 0.00 C ATOM 90 O LEU A 22 -1.942 -5.531 -11.356 1.00 0.00 O ATOM 91 CB LEU A 22 0.020 -7.294 -9.419 1.00 0.00 C ATOM 92 CG LEU A 22 0.704 -7.436 -10.767 1.00 0.00 C ATOM 93 CD1 LEU A 22 1.093 -6.068 -11.312 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.921 -8.339 -10.647 1.00 0.00 C ATOM 0 H LEU A 22 -1.774 -8.359 -11.042 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.882 -6.908 -8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.519 -6.506 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.153 -8.220 -8.860 1.00 0.00 H new ATOM 0 HG LEU A 22 0.007 -7.894 -11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.582 -6.187 -12.279 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.199 -5.456 -11.431 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.777 -5.580 -10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.402 -8.432 -11.621 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.625 -7.909 -9.934 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.610 -9.324 -10.300 1.00 0.00 H new ATOM 106 N HIS A 23 -1.542 -4.571 -9.352 1.00 0.00 N ATOM 107 CA HIS A 23 -1.696 -3.203 -9.826 1.00 0.00 C ATOM 108 C HIS A 23 -0.749 -2.267 -9.081 1.00 0.00 C ATOM 109 O HIS A 23 -0.324 -2.558 -7.958 1.00 0.00 O ATOM 110 CB HIS A 23 -3.139 -2.730 -9.636 1.00 0.00 C ATOM 111 CG HIS A 23 -4.164 -3.716 -10.099 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.502 -3.882 -11.426 1.00 0.00 N ATOM 113 CD2 HIS A 23 -4.936 -4.586 -9.405 1.00 0.00 C ATOM 114 CE1 HIS A 23 -5.438 -4.807 -11.527 1.00 0.00 C ATOM 115 NE2 HIS A 23 -5.721 -5.252 -10.316 1.00 0.00 N ATOM 0 H HIS A 23 -1.324 -4.646 -8.358 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.451 -3.184 -10.888 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.305 -2.516 -8.580 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.279 -1.794 -10.177 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -4.092 -3.370 -12.207 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.935 -4.730 -8.335 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.896 -5.144 -12.446 1.00 0.00 H new ATOM 124 N LYS A 24 -0.429 -1.138 -9.709 1.00 0.00 N ATOM 125 CA LYS A 24 0.459 -0.151 -9.107 1.00 0.00 C ATOM 126 C LYS A 24 -0.327 0.770 -8.179 1.00 0.00 C ATOM 127 O LYS A 24 -1.149 1.568 -8.631 1.00 0.00 O ATOM 128 CB LYS A 24 1.156 0.670 -10.194 1.00 0.00 C ATOM 129 CG LYS A 24 2.655 0.811 -9.985 1.00 0.00 C ATOM 130 CD LYS A 24 3.416 0.710 -11.297 1.00 0.00 C ATOM 131 CE LYS A 24 4.679 -0.123 -11.149 1.00 0.00 C ATOM 132 NZ LYS A 24 5.140 -0.671 -12.454 1.00 0.00 N ATOM 0 H LYS A 24 -0.773 -0.885 -10.636 1.00 0.00 H new ATOM 0 HA LYS A 24 1.216 -0.675 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.975 0.203 -11.162 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.708 1.663 -10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.868 1.770 -9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.002 0.036 -9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.774 0.266 -12.057 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.677 1.710 -11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.469 0.489 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.493 -0.944 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.003 -1.233 -12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.397 -1.276 -12.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.342 0.112 -13.108 1.00 0.00 H new ATOM 146 N VAL A 25 -0.085 0.642 -6.879 1.00 0.00 N ATOM 147 CA VAL A 25 -0.785 1.455 -5.891 1.00 0.00 C ATOM 148 C VAL A 25 0.155 2.445 -5.211 1.00 0.00 C ATOM 149 O VAL A 25 1.329 2.153 -4.991 1.00 0.00 O ATOM 150 CB VAL A 25 -1.460 0.583 -4.807 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.968 0.771 -4.832 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.098 -0.889 -4.977 1.00 0.00 C ATOM 0 H VAL A 25 0.589 -0.015 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.552 2.004 -6.437 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.087 0.908 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.425 0.149 -4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.207 1.817 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.355 0.481 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.588 -1.476 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.429 -1.234 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.018 -1.010 -4.896 1.00 0.00 H new ATOM 162 N THR A 26 -0.379 3.613 -4.874 1.00 0.00 N ATOM 163 CA THR A 26 0.397 4.650 -4.208 1.00 0.00 C ATOM 164 C THR A 26 -0.391 5.233 -3.040 1.00 0.00 C ATOM 165 O THR A 26 -1.354 5.974 -3.236 1.00 0.00 O ATOM 166 CB THR A 26 0.762 5.755 -5.199 1.00 0.00 C ATOM 167 OG1 THR A 26 1.522 5.233 -6.275 1.00 0.00 O ATOM 168 CG2 THR A 26 1.563 6.879 -4.577 1.00 0.00 C ATOM 0 H THR A 26 -1.351 3.866 -5.052 1.00 0.00 H new ATOM 0 HA THR A 26 1.315 4.205 -3.824 1.00 0.00 H new ATOM 0 HB THR A 26 -0.190 6.157 -5.544 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.323 5.782 -6.407 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.788 7.629 -5.336 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.985 7.337 -3.774 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.494 6.482 -4.172 1.00 0.00 H new ATOM 176 N LEU A 27 0.014 4.885 -1.822 1.00 0.00 N ATOM 177 CA LEU A 27 -0.666 5.366 -0.625 1.00 0.00 C ATOM 178 C LEU A 27 -0.012 6.632 -0.079 1.00 0.00 C ATOM 179 O LEU A 27 1.028 7.070 -0.571 1.00 0.00 O ATOM 180 CB LEU A 27 -0.665 4.282 0.454 1.00 0.00 C ATOM 181 CG LEU A 27 -1.518 3.052 0.140 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.641 1.893 -0.311 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.347 2.654 1.353 1.00 0.00 C ATOM 0 H LEU A 27 0.809 4.272 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.692 5.605 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.363 3.959 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.017 4.720 1.388 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.198 3.304 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.266 1.027 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.092 2.180 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.064 1.641 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.948 1.777 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.684 2.421 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.004 3.478 1.631 1.00 0.00 H new ATOM 195 N TYR A 28 -0.630 7.204 0.949 1.00 0.00 N ATOM 196 CA TYR A 28 -0.121 8.412 1.585 1.00 0.00 C ATOM 197 C TYR A 28 -0.111 8.244 3.101 1.00 0.00 C ATOM 198 O TYR A 28 -1.024 7.648 3.672 1.00 0.00 O ATOM 199 CB TYR A 28 -0.973 9.621 1.198 1.00 0.00 C ATOM 200 CG TYR A 28 -0.924 9.949 -0.278 1.00 0.00 C ATOM 201 CD1 TYR A 28 0.211 10.512 -0.846 1.00 0.00 C ATOM 202 CD2 TYR A 28 -2.015 9.697 -1.101 1.00 0.00 C ATOM 203 CE1 TYR A 28 0.259 10.814 -2.194 1.00 0.00 C ATOM 204 CE2 TYR A 28 -1.973 9.995 -2.450 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.835 10.553 -2.991 1.00 0.00 C ATOM 206 OH TYR A 28 -0.791 10.853 -4.333 1.00 0.00 O ATOM 0 H TYR A 28 -1.491 6.846 1.362 1.00 0.00 H new ATOM 0 HA TYR A 28 0.899 8.580 1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.007 9.433 1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.637 10.489 1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.070 10.717 -0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.909 9.262 -0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.149 11.252 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.828 9.791 -3.077 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.642 10.606 -4.751 1.00 0.00 H new ATOM 216 N LYS A 29 0.925 8.765 3.752 1.00 0.00 N ATOM 217 CA LYS A 29 1.040 8.657 5.203 1.00 0.00 C ATOM 218 C LYS A 29 0.992 10.028 5.869 1.00 0.00 C ATOM 219 O LYS A 29 1.182 11.055 5.216 1.00 0.00 O ATOM 220 CB LYS A 29 2.337 7.940 5.585 1.00 0.00 C ATOM 221 CG LYS A 29 2.140 6.820 6.595 1.00 0.00 C ATOM 222 CD LYS A 29 3.295 6.747 7.583 1.00 0.00 C ATOM 223 CE LYS A 29 2.812 6.895 9.017 1.00 0.00 C ATOM 224 NZ LYS A 29 1.971 5.742 9.442 1.00 0.00 N ATOM 0 H LYS A 29 1.693 9.263 3.301 1.00 0.00 H new ATOM 0 HA LYS A 29 0.190 8.075 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.794 7.529 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.037 8.668 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.207 6.977 7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.048 5.869 6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.813 5.795 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.017 7.532 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.671 6.982 9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.239 7.817 9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.690 5.865 10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.121 5.694 8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.514 4.861 9.342 1.00 0.00 H new ATOM 238 N ASP A 30 0.740 10.032 7.173 1.00 0.00 N ATOM 239 CA ASP A 30 0.670 11.272 7.938 1.00 0.00 C ATOM 240 C ASP A 30 1.687 11.264 9.074 1.00 0.00 C ATOM 241 O ASP A 30 1.894 10.241 9.728 1.00 0.00 O ATOM 242 CB ASP A 30 -0.739 11.474 8.498 1.00 0.00 C ATOM 243 CG ASP A 30 -1.618 12.287 7.569 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.837 11.847 6.421 1.00 0.00 O ATOM 245 OD2 ASP A 30 -2.090 13.365 7.990 1.00 0.00 O ATOM 0 H ASP A 30 0.580 9.189 7.724 1.00 0.00 H new ATOM 0 HA ASP A 30 0.906 12.099 7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.201 10.502 8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.675 11.975 9.464 1.00 0.00 H new ATOM 250 N SER A 31 2.320 12.409 9.303 1.00 0.00 N ATOM 251 CA SER A 31 3.318 12.533 10.358 1.00 0.00 C ATOM 252 C SER A 31 2.703 12.267 11.728 1.00 0.00 C ATOM 253 O SER A 31 2.320 13.196 12.439 1.00 0.00 O ATOM 254 CB SER A 31 3.950 13.926 10.332 1.00 0.00 C ATOM 255 OG SER A 31 3.007 14.921 10.690 1.00 0.00 O ATOM 0 H SER A 31 2.159 13.265 8.772 1.00 0.00 H new ATOM 0 HA SER A 31 4.092 11.787 10.177 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.796 13.958 11.019 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.341 14.133 9.336 1.00 0.00 H new ATOM 0 HG SER A 31 2.572 14.672 11.532 1.00 0.00 H new ATOM 261 N GLY A 32 2.616 10.992 12.095 1.00 0.00 N ATOM 262 CA GLY A 32 2.052 10.627 13.381 1.00 0.00 C ATOM 263 C GLY A 32 0.887 9.658 13.267 1.00 0.00 C ATOM 264 O GLY A 32 0.088 9.533 14.194 1.00 0.00 O ATOM 0 H GLY A 32 2.926 10.205 11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.830 10.179 13.999 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.718 11.529 13.894 1.00 0.00 H new ATOM 268 N MET A 33 0.790 8.971 12.133 1.00 0.00 N ATOM 269 CA MET A 33 -0.288 8.013 11.914 1.00 0.00 C ATOM 270 C MET A 33 0.036 6.672 12.571 1.00 0.00 C ATOM 271 O MET A 33 1.168 6.434 12.992 1.00 0.00 O ATOM 272 CB MET A 33 -0.528 7.815 10.417 1.00 0.00 C ATOM 273 CG MET A 33 -1.997 7.707 10.047 1.00 0.00 C ATOM 274 SD MET A 33 -2.309 8.097 8.315 1.00 0.00 S ATOM 275 CE MET A 33 -3.461 9.458 8.478 1.00 0.00 C ATOM 0 H MET A 33 1.442 9.059 11.354 1.00 0.00 H new ATOM 0 HA MET A 33 -1.194 8.413 12.369 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.085 8.649 9.873 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.012 6.912 10.091 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.347 6.696 10.256 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.577 8.382 10.677 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.413 10.084 7.587 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.472 9.067 8.592 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.200 10.052 9.354 1.00 0.00 H new ATOM 285 N GLU A 34 -0.965 5.803 12.657 1.00 0.00 N ATOM 286 CA GLU A 34 -0.785 4.488 13.264 1.00 0.00 C ATOM 287 C GLU A 34 -0.542 3.419 12.203 1.00 0.00 C ATOM 288 O GLU A 34 -0.041 2.336 12.501 1.00 0.00 O ATOM 289 CB GLU A 34 -2.008 4.120 14.106 1.00 0.00 C ATOM 290 CG GLU A 34 -1.658 3.437 15.418 1.00 0.00 C ATOM 291 CD GLU A 34 -2.781 3.517 16.434 1.00 0.00 C ATOM 292 OE1 GLU A 34 -3.445 4.573 16.503 1.00 0.00 O ATOM 293 OE2 GLU A 34 -2.997 2.524 17.159 1.00 0.00 O ATOM 0 H GLU A 34 -1.909 5.984 12.315 1.00 0.00 H new ATOM 0 HA GLU A 34 0.093 4.534 13.909 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.579 5.024 14.317 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.655 3.463 13.525 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.420 2.391 15.227 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.762 3.897 15.835 1.00 0.00 H new ATOM 300 N ASP A 35 -0.898 3.734 10.965 1.00 0.00 N ATOM 301 CA ASP A 35 -0.720 2.805 9.855 1.00 0.00 C ATOM 302 C ASP A 35 -0.675 3.555 8.527 1.00 0.00 C ATOM 303 O ASP A 35 -0.621 4.785 8.500 1.00 0.00 O ATOM 304 CB ASP A 35 -1.850 1.773 9.840 1.00 0.00 C ATOM 305 CG ASP A 35 -1.398 0.416 10.341 1.00 0.00 C ATOM 306 OD1 ASP A 35 -0.680 -0.283 9.596 1.00 0.00 O ATOM 307 OD2 ASP A 35 -1.762 0.051 11.478 1.00 0.00 O ATOM 0 H ASP A 35 -1.313 4.628 10.703 1.00 0.00 H new ATOM 0 HA ASP A 35 0.229 2.286 9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.673 2.130 10.459 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.234 1.673 8.825 1.00 0.00 H new ATOM 312 N PHE A 36 -0.697 2.808 7.428 1.00 0.00 N ATOM 313 CA PHE A 36 -0.661 3.408 6.100 1.00 0.00 C ATOM 314 C PHE A 36 -2.008 3.277 5.396 1.00 0.00 C ATOM 315 O PHE A 36 -2.093 3.399 4.174 1.00 0.00 O ATOM 316 CB PHE A 36 0.434 2.758 5.252 1.00 0.00 C ATOM 317 CG PHE A 36 1.285 3.752 4.517 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.723 4.605 3.581 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.643 3.834 4.766 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.505 5.524 2.906 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.431 4.751 4.095 1.00 0.00 C ATOM 322 CZ PHE A 36 2.861 5.597 3.164 1.00 0.00 C ATOM 0 H PHE A 36 -0.739 1.789 7.431 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.440 4.469 6.220 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.071 2.151 5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.027 2.082 4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.336 4.552 3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.093 3.174 5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.057 6.184 2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.490 4.806 4.299 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.474 6.314 2.638 1.00 0.00 H new ATOM 332 N GLY A 37 -3.060 3.035 6.171 1.00 0.00 N ATOM 333 CA GLY A 37 -4.384 2.900 5.594 1.00 0.00 C ATOM 334 C GLY A 37 -4.865 1.461 5.539 1.00 0.00 C ATOM 335 O GLY A 37 -5.968 1.193 5.065 1.00 0.00 O ATOM 0 H GLY A 37 -3.020 2.930 7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.090 3.491 6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.378 3.314 4.586 1.00 0.00 H new ATOM 339 N PHE A 38 -4.044 0.531 6.020 1.00 0.00 N ATOM 340 CA PHE A 38 -4.415 -0.879 6.013 1.00 0.00 C ATOM 341 C PHE A 38 -3.398 -1.727 6.769 1.00 0.00 C ATOM 342 O PHE A 38 -2.198 -1.456 6.735 1.00 0.00 O ATOM 343 CB PHE A 38 -4.551 -1.388 4.578 1.00 0.00 C ATOM 344 CG PHE A 38 -3.264 -1.401 3.800 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.297 -2.362 4.053 1.00 0.00 C ATOM 346 CD2 PHE A 38 -3.029 -0.465 2.805 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.119 -2.387 3.328 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.853 -0.483 2.081 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.896 -1.446 2.340 1.00 0.00 C ATOM 0 H PHE A 38 -3.125 0.727 6.416 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.376 -0.969 6.519 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.958 -2.399 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.274 -0.765 4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.465 -3.099 4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.774 0.287 2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.374 -3.141 3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.681 0.256 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.023 -1.463 1.773 1.00 0.00 H new ATOM 359 N SER A 39 -3.889 -2.765 7.442 1.00 0.00 N ATOM 360 CA SER A 39 -3.027 -3.664 8.198 1.00 0.00 C ATOM 361 C SER A 39 -2.725 -4.912 7.381 1.00 0.00 C ATOM 362 O SER A 39 -3.609 -5.453 6.713 1.00 0.00 O ATOM 363 CB SER A 39 -3.690 -4.050 9.522 1.00 0.00 C ATOM 364 OG SER A 39 -3.694 -2.960 10.428 1.00 0.00 O ATOM 0 H SER A 39 -4.880 -3.003 7.478 1.00 0.00 H new ATOM 0 HA SER A 39 -2.091 -3.148 8.414 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.713 -4.377 9.338 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.160 -4.893 9.965 1.00 0.00 H new ATOM 0 HG SER A 39 -4.125 -3.232 11.265 1.00 0.00 H new ATOM 370 N VAL A 40 -1.473 -5.358 7.430 1.00 0.00 N ATOM 371 CA VAL A 40 -1.053 -6.536 6.682 1.00 0.00 C ATOM 372 C VAL A 40 -1.140 -7.803 7.529 1.00 0.00 C ATOM 373 O VAL A 40 -1.371 -7.741 8.738 1.00 0.00 O ATOM 374 CB VAL A 40 0.385 -6.380 6.156 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.474 -5.214 5.185 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.364 -6.198 7.307 1.00 0.00 C ATOM 0 H VAL A 40 -0.733 -4.921 7.980 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.737 -6.629 5.838 1.00 0.00 H new ATOM 0 HB VAL A 40 0.655 -7.292 5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.498 -5.119 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.194 -5.391 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.182 -4.295 5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.374 -6.090 6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.098 -5.305 7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.322 -7.069 7.962 1.00 0.00 H new ATOM 386 N ALA A 41 -0.955 -8.950 6.883 1.00 0.00 N ATOM 387 CA ALA A 41 -1.012 -10.237 7.565 1.00 0.00 C ATOM 388 C ALA A 41 0.125 -11.148 7.114 1.00 0.00 C ATOM 389 O ALA A 41 0.921 -10.782 6.249 1.00 0.00 O ATOM 390 CB ALA A 41 -2.354 -10.907 7.313 1.00 0.00 C ATOM 0 H ALA A 41 -0.763 -9.014 5.883 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.900 -10.059 8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.384 -11.867 7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.155 -10.270 7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.487 -11.065 6.243 1.00 0.00 H new ATOM 396 N ASP A 42 0.191 -12.338 7.702 1.00 0.00 N ATOM 397 CA ASP A 42 1.229 -13.304 7.357 1.00 0.00 C ATOM 398 C ASP A 42 0.690 -14.354 6.389 1.00 0.00 C ATOM 399 O ASP A 42 -0.375 -14.928 6.612 1.00 0.00 O ATOM 400 CB ASP A 42 1.763 -13.982 8.620 1.00 0.00 C ATOM 401 CG ASP A 42 2.819 -13.150 9.320 1.00 0.00 C ATOM 402 OD1 ASP A 42 2.507 -12.007 9.716 1.00 0.00 O ATOM 403 OD2 ASP A 42 3.958 -13.640 9.471 1.00 0.00 O ATOM 0 H ASP A 42 -0.461 -12.657 8.419 1.00 0.00 H new ATOM 0 HA ASP A 42 2.044 -12.769 6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.937 -14.168 9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.184 -14.953 8.358 1.00 0.00 H new ATOM 408 N GLY A 43 1.434 -14.598 5.314 1.00 0.00 N ATOM 409 CA GLY A 43 1.013 -15.577 4.329 1.00 0.00 C ATOM 410 C GLY A 43 1.788 -16.876 4.433 1.00 0.00 C ATOM 411 O GLY A 43 2.969 -16.929 4.093 1.00 0.00 O ATOM 0 H GLY A 43 2.320 -14.136 5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.050 -15.781 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.141 -15.160 3.330 1.00 0.00 H new ATOM 415 N LEU A 44 1.123 -17.926 4.901 1.00 0.00 N ATOM 416 CA LEU A 44 1.758 -19.232 5.046 1.00 0.00 C ATOM 417 C LEU A 44 1.507 -20.102 3.821 1.00 0.00 C ATOM 418 O LEU A 44 2.279 -21.012 3.521 1.00 0.00 O ATOM 419 CB LEU A 44 1.246 -19.936 6.306 1.00 0.00 C ATOM 420 CG LEU A 44 2.239 -19.982 7.469 1.00 0.00 C ATOM 421 CD1 LEU A 44 3.466 -20.797 7.090 1.00 0.00 C ATOM 422 CD2 LEU A 44 2.639 -18.574 7.883 1.00 0.00 C ATOM 0 H LEU A 44 0.144 -17.899 5.187 1.00 0.00 H new ATOM 0 HA LEU A 44 2.833 -19.076 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.339 -19.433 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.967 -20.957 6.046 1.00 0.00 H new ATOM 0 HG LEU A 44 1.755 -20.465 8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.162 -20.819 7.929 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.164 -21.815 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.953 -20.342 6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.346 -18.625 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.105 -18.065 7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.753 -18.021 8.196 1.00 0.00 H new ATOM 434 N LEU A 45 0.418 -19.816 3.121 1.00 0.00 N ATOM 435 CA LEU A 45 0.053 -20.568 1.926 1.00 0.00 C ATOM 436 C LEU A 45 0.780 -20.045 0.689 1.00 0.00 C ATOM 437 O LEU A 45 0.697 -20.641 -0.385 1.00 0.00 O ATOM 438 CB LEU A 45 -1.459 -20.510 1.709 1.00 0.00 C ATOM 439 CG LEU A 45 -2.133 -21.873 1.551 1.00 0.00 C ATOM 440 CD1 LEU A 45 -1.752 -22.507 0.223 1.00 0.00 C ATOM 441 CD2 LEU A 45 -1.767 -22.789 2.708 1.00 0.00 C ATOM 0 H LEU A 45 -0.231 -19.066 3.360 1.00 0.00 H new ATOM 0 HA LEU A 45 0.357 -21.604 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.914 -19.990 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.662 -19.914 0.820 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.213 -21.725 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.241 -23.476 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.070 -21.859 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.671 -22.641 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.257 -23.754 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.687 -22.931 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.095 -22.340 3.645 1.00 0.00 H new ATOM 453 N GLU A 46 1.490 -18.929 0.840 1.00 0.00 N ATOM 454 CA GLU A 46 2.222 -18.336 -0.275 1.00 0.00 C ATOM 455 C GLU A 46 3.420 -17.529 0.219 1.00 0.00 C ATOM 456 O GLU A 46 3.876 -16.610 -0.462 1.00 0.00 O ATOM 457 CB GLU A 46 1.303 -17.434 -1.105 1.00 0.00 C ATOM 458 CG GLU A 46 -0.146 -17.894 -1.142 1.00 0.00 C ATOM 459 CD GLU A 46 -1.002 -17.050 -2.066 1.00 0.00 C ATOM 460 OE1 GLU A 46 -1.342 -15.910 -1.684 1.00 0.00 O ATOM 461 OE2 GLU A 46 -1.334 -17.528 -3.171 1.00 0.00 O ATOM 0 H GLU A 46 1.573 -18.420 1.720 1.00 0.00 H new ATOM 0 HA GLU A 46 2.585 -19.151 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.342 -16.422 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.684 -17.385 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.185 -18.934 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.561 -17.858 -0.135 1.00 0.00 H new ATOM 468 N LYS A 47 3.925 -17.882 1.404 1.00 0.00 N ATOM 469 CA LYS A 47 5.077 -17.201 2.009 1.00 0.00 C ATOM 470 C LYS A 47 5.192 -15.748 1.548 1.00 0.00 C ATOM 471 O LYS A 47 5.975 -15.432 0.651 1.00 0.00 O ATOM 472 CB LYS A 47 6.365 -17.952 1.673 1.00 0.00 C ATOM 473 CG LYS A 47 6.905 -18.782 2.826 1.00 0.00 C ATOM 474 CD LYS A 47 7.981 -18.032 3.595 1.00 0.00 C ATOM 475 CE LYS A 47 7.437 -17.445 4.888 1.00 0.00 C ATOM 476 NZ LYS A 47 8.422 -17.542 5.999 1.00 0.00 N ATOM 0 H LYS A 47 3.551 -18.644 1.970 1.00 0.00 H new ATOM 0 HA LYS A 47 4.923 -17.196 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.182 -18.606 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.125 -17.233 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.090 -19.044 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.314 -19.717 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.806 -18.708 3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.384 -17.233 2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.171 -16.400 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.522 -17.968 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.013 -17.131 6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.657 -18.541 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.286 -17.022 5.744 1.00 0.00 H new ATOM 490 N GLY A 48 4.409 -14.872 2.164 1.00 0.00 N ATOM 491 CA GLY A 48 4.440 -13.466 1.803 1.00 0.00 C ATOM 492 C GLY A 48 3.658 -12.597 2.768 1.00 0.00 C ATOM 493 O GLY A 48 3.453 -12.971 3.923 1.00 0.00 O ATOM 0 H GLY A 48 3.752 -15.109 2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.475 -13.126 1.771 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.033 -13.344 0.799 1.00 0.00 H new ATOM 497 N VAL A 49 3.222 -11.434 2.294 1.00 0.00 N ATOM 498 CA VAL A 49 2.459 -10.508 3.122 1.00 0.00 C ATOM 499 C VAL A 49 1.291 -9.910 2.342 1.00 0.00 C ATOM 500 O VAL A 49 1.462 -9.426 1.224 1.00 0.00 O ATOM 501 CB VAL A 49 3.349 -9.365 3.652 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.535 -8.379 4.479 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.504 -9.921 4.468 1.00 0.00 C ATOM 0 H VAL A 49 3.384 -11.111 1.340 1.00 0.00 H new ATOM 0 HA VAL A 49 2.074 -11.079 3.967 1.00 0.00 H new ATOM 0 HB VAL A 49 3.758 -8.830 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.186 -7.583 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.746 -7.950 3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.089 -8.897 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.120 -9.099 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.113 -10.485 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.108 -10.578 3.842 1.00 0.00 H new ATOM 513 N TYR A 50 0.110 -9.940 2.948 1.00 0.00 N ATOM 514 CA TYR A 50 -1.088 -9.393 2.318 1.00 0.00 C ATOM 515 C TYR A 50 -1.788 -8.431 3.265 1.00 0.00 C ATOM 516 O TYR A 50 -1.416 -8.314 4.431 1.00 0.00 O ATOM 517 CB TYR A 50 -2.058 -10.511 1.913 1.00 0.00 C ATOM 518 CG TYR A 50 -1.409 -11.867 1.746 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.270 -12.021 0.968 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.938 -12.990 2.365 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.324 -13.256 0.813 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.351 -14.231 2.215 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.218 -14.359 1.438 1.00 0.00 C ATOM 524 OH TYR A 50 0.371 -15.592 1.284 1.00 0.00 O ATOM 0 H TYR A 50 -0.045 -10.337 3.875 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.779 -8.858 1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.842 -10.587 2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.542 -10.235 0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.158 -11.160 0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.824 -12.892 2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.210 -13.359 0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.776 -15.096 2.703 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.134 -16.262 1.791 1.00 0.00 H new ATOM 534 N VAL A 51 -2.804 -7.745 2.761 1.00 0.00 N ATOM 535 CA VAL A 51 -3.555 -6.794 3.569 1.00 0.00 C ATOM 536 C VAL A 51 -4.740 -7.474 4.245 1.00 0.00 C ATOM 537 O VAL A 51 -5.583 -8.080 3.584 1.00 0.00 O ATOM 538 CB VAL A 51 -4.049 -5.610 2.721 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.856 -4.636 3.566 1.00 0.00 C ATOM 540 CG2 VAL A 51 -2.869 -4.904 2.071 1.00 0.00 C ATOM 0 H VAL A 51 -3.127 -7.829 1.797 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.880 -6.413 4.336 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.702 -5.996 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.194 -3.808 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.720 -5.149 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.233 -4.252 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.230 -4.067 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.196 -4.534 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.334 -5.604 1.429 1.00 0.00 H new ATOM 550 N LYS A 52 -4.791 -7.374 5.569 1.00 0.00 N ATOM 551 CA LYS A 52 -5.863 -7.984 6.343 1.00 0.00 C ATOM 552 C LYS A 52 -7.063 -7.055 6.456 1.00 0.00 C ATOM 553 O LYS A 52 -8.204 -7.506 6.547 1.00 0.00 O ATOM 554 CB LYS A 52 -5.362 -8.352 7.739 1.00 0.00 C ATOM 555 CG LYS A 52 -4.758 -7.181 8.498 1.00 0.00 C ATOM 556 CD LYS A 52 -5.031 -7.284 9.990 1.00 0.00 C ATOM 557 CE LYS A 52 -4.172 -8.357 10.639 1.00 0.00 C ATOM 558 NZ LYS A 52 -2.791 -7.870 10.918 1.00 0.00 N ATOM 0 H LYS A 52 -4.100 -6.875 6.129 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.178 -8.887 5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.191 -8.760 8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.615 -9.141 7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.682 -7.150 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.169 -6.247 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.835 -6.323 10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.084 -7.511 10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.638 -8.681 11.570 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.125 -9.228 9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.237 -8.631 11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.337 -7.584 10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.834 -7.054 11.562 1.00 0.00 H new ATOM 572 N ASN A 53 -6.795 -5.760 6.454 1.00 0.00 N ATOM 573 CA ASN A 53 -7.861 -4.767 6.561 1.00 0.00 C ATOM 574 C ASN A 53 -7.396 -3.390 6.098 1.00 0.00 C ATOM 575 O ASN A 53 -6.243 -3.011 6.300 1.00 0.00 O ATOM 576 CB ASN A 53 -8.363 -4.686 8.005 1.00 0.00 C ATOM 577 CG ASN A 53 -9.363 -5.778 8.331 1.00 0.00 C ATOM 578 OD1 ASN A 53 -8.889 -6.843 8.968 1.00 0.00 O flip ATOM 579 ND2 ASN A 53 -10.547 -5.666 8.015 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.856 -5.369 6.380 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.675 -5.085 5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.515 -4.758 8.686 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.824 -3.713 8.172 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.868 -4.830 7.526 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.208 -6.409 8.242 1.00 0.00 H new ATOM 586 N ILE A 54 -8.307 -2.648 5.476 1.00 0.00 N ATOM 587 CA ILE A 54 -8.006 -1.313 4.980 1.00 0.00 C ATOM 588 C ILE A 54 -9.003 -0.292 5.519 1.00 0.00 C ATOM 589 O ILE A 54 -10.208 -0.537 5.537 1.00 0.00 O ATOM 590 CB ILE A 54 -8.036 -1.277 3.442 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.216 -2.445 2.878 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.525 0.065 2.935 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.593 -2.178 1.522 1.00 0.00 C ATOM 0 H ILE A 54 -9.265 -2.953 5.304 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.005 -1.058 5.328 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.064 -1.389 3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.424 -2.692 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.860 -3.321 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.552 0.076 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.157 0.865 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.500 0.216 3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.032 -3.056 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.378 -1.963 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.920 -1.323 1.593 1.00 0.00 H new ATOM 605 N ARG A 55 -8.493 0.855 5.955 1.00 0.00 N ATOM 606 CA ARG A 55 -9.342 1.912 6.493 1.00 0.00 C ATOM 607 C ARG A 55 -10.260 2.472 5.409 1.00 0.00 C ATOM 608 O ARG A 55 -9.867 2.580 4.248 1.00 0.00 O ATOM 609 CB ARG A 55 -8.485 3.033 7.082 1.00 0.00 C ATOM 610 CG ARG A 55 -7.446 2.547 8.078 1.00 0.00 C ATOM 611 CD ARG A 55 -7.187 3.580 9.164 1.00 0.00 C ATOM 612 NE ARG A 55 -5.765 3.697 9.480 1.00 0.00 N ATOM 613 CZ ARG A 55 -5.298 4.244 10.599 1.00 0.00 C ATOM 614 NH1 ARG A 55 -6.136 4.726 11.511 1.00 0.00 N ATOM 615 NH2 ARG A 55 -3.990 4.313 10.809 1.00 0.00 N ATOM 0 H ARG A 55 -7.497 1.076 5.946 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.959 1.484 7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.980 3.557 6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.136 3.756 7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.785 1.616 8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.515 2.326 7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.568 4.549 8.841 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.737 3.306 10.064 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.091 3.338 8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.143 4.678 11.355 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.772 5.144 12.367 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.342 3.946 10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.633 4.733 11.667 1.00 0.00 H new ATOM 629 N PRO A 56 -11.502 2.835 5.774 1.00 0.00 N ATOM 630 CA PRO A 56 -12.474 3.384 4.823 1.00 0.00 C ATOM 631 C PRO A 56 -12.142 4.815 4.410 1.00 0.00 C ATOM 632 O PRO A 56 -11.670 5.611 5.223 1.00 0.00 O ATOM 633 CB PRO A 56 -13.789 3.345 5.602 1.00 0.00 C ATOM 634 CG PRO A 56 -13.381 3.448 7.031 1.00 0.00 C ATOM 635 CD PRO A 56 -12.058 2.740 7.138 1.00 0.00 C ATOM 0 HA PRO A 56 -12.495 2.819 3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.444 4.168 5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.336 2.422 5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.291 4.490 7.337 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.124 2.987 7.683 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.406 3.216 7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.182 1.703 7.449 1.00 0.00 H new ATOM 643 N ALA A 57 -12.396 5.131 3.140 1.00 0.00 N ATOM 644 CA ALA A 57 -12.131 6.463 2.598 1.00 0.00 C ATOM 645 C ALA A 57 -10.823 7.045 3.131 1.00 0.00 C ATOM 646 O ALA A 57 -10.701 8.255 3.323 1.00 0.00 O ATOM 647 CB ALA A 57 -13.289 7.398 2.917 1.00 0.00 C ATOM 0 H ALA A 57 -12.788 4.476 2.463 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.031 6.365 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.081 8.387 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.205 7.007 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.411 7.470 3.998 1.00 0.00 H new ATOM 653 N GLY A 58 -9.847 6.173 3.362 1.00 0.00 N ATOM 654 CA GLY A 58 -8.560 6.615 3.865 1.00 0.00 C ATOM 655 C GLY A 58 -7.446 6.410 2.854 1.00 0.00 C ATOM 656 O GLY A 58 -7.711 6.285 1.658 1.00 0.00 O ATOM 0 H GLY A 58 -9.925 5.167 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.619 7.671 4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.323 6.071 4.779 1.00 0.00 H new ATOM 660 N PRO A 59 -6.183 6.367 3.305 1.00 0.00 N ATOM 661 CA PRO A 59 -5.035 6.171 2.414 1.00 0.00 C ATOM 662 C PRO A 59 -5.201 4.939 1.529 1.00 0.00 C ATOM 663 O PRO A 59 -5.093 5.022 0.305 1.00 0.00 O ATOM 664 CB PRO A 59 -3.861 5.985 3.378 1.00 0.00 C ATOM 665 CG PRO A 59 -4.282 6.678 4.627 1.00 0.00 C ATOM 666 CD PRO A 59 -5.773 6.506 4.715 1.00 0.00 C ATOM 0 HA PRO A 59 -4.904 7.005 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.661 4.929 3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.945 6.418 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.788 6.247 5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.012 7.734 4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.043 5.627 5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.249 7.364 5.190 1.00 0.00 H new ATOM 674 N GLY A 60 -5.462 3.798 2.159 1.00 0.00 N ATOM 675 CA GLY A 60 -5.639 2.563 1.417 1.00 0.00 C ATOM 676 C GLY A 60 -6.865 2.588 0.523 1.00 0.00 C ATOM 677 O GLY A 60 -6.861 2.003 -0.560 1.00 0.00 O ATOM 0 H GLY A 60 -5.554 3.707 3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.754 2.380 0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.722 1.732 2.117 1.00 0.00 H new ATOM 681 N ASP A 61 -7.913 3.271 0.972 1.00 0.00 N ATOM 682 CA ASP A 61 -9.143 3.372 0.201 1.00 0.00 C ATOM 683 C ASP A 61 -8.951 4.312 -0.979 1.00 0.00 C ATOM 684 O ASP A 61 -9.547 4.127 -2.040 1.00 0.00 O ATOM 685 CB ASP A 61 -10.287 3.870 1.086 1.00 0.00 C ATOM 686 CG ASP A 61 -11.650 3.564 0.498 1.00 0.00 C ATOM 687 OD1 ASP A 61 -11.990 4.150 -0.552 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.379 2.737 1.086 1.00 0.00 O ATOM 0 H ASP A 61 -7.933 3.762 1.866 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.396 2.381 -0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.208 3.409 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.190 4.946 1.229 1.00 0.00 H new ATOM 693 N LEU A 62 -8.111 5.322 -0.783 1.00 0.00 N ATOM 694 CA LEU A 62 -7.834 6.297 -1.827 1.00 0.00 C ATOM 695 C LEU A 62 -6.917 5.704 -2.892 1.00 0.00 C ATOM 696 O LEU A 62 -7.030 6.031 -4.073 1.00 0.00 O ATOM 697 CB LEU A 62 -7.200 7.554 -1.229 1.00 0.00 C ATOM 698 CG LEU A 62 -8.153 8.440 -0.425 1.00 0.00 C ATOM 699 CD1 LEU A 62 -7.379 9.497 0.346 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.177 9.091 -1.344 1.00 0.00 C ATOM 0 H LEU A 62 -7.610 5.486 0.091 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.779 6.568 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.375 7.254 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.772 8.147 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.683 7.813 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.075 10.117 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.685 9.012 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.822 10.121 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.847 9.718 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.663 9.704 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.755 8.318 -1.851 1.00 0.00 H new ATOM 712 N GLY A 63 -6.010 4.831 -2.465 1.00 0.00 N ATOM 713 CA GLY A 63 -5.088 4.205 -3.394 1.00 0.00 C ATOM 714 C GLY A 63 -5.774 3.204 -4.302 1.00 0.00 C ATOM 715 O GLY A 63 -5.668 3.293 -5.526 1.00 0.00 O ATOM 0 H GLY A 63 -5.897 4.546 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.610 4.974 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.298 3.703 -2.835 1.00 0.00 H new ATOM 719 N GLY A 64 -6.480 2.250 -3.703 1.00 0.00 N ATOM 720 CA GLY A 64 -7.179 1.245 -4.482 1.00 0.00 C ATOM 721 C GLY A 64 -6.681 -0.160 -4.206 1.00 0.00 C ATOM 722 O GLY A 64 -6.669 -1.006 -5.100 1.00 0.00 O ATOM 0 H GLY A 64 -6.580 2.155 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.245 1.298 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.061 1.466 -5.543 1.00 0.00 H new ATOM 726 N LEU A 65 -6.270 -0.413 -2.967 1.00 0.00 N ATOM 727 CA LEU A 65 -5.774 -1.730 -2.584 1.00 0.00 C ATOM 728 C LEU A 65 -6.916 -2.629 -2.129 1.00 0.00 C ATOM 729 O LEU A 65 -7.569 -2.359 -1.122 1.00 0.00 O ATOM 730 CB LEU A 65 -4.738 -1.602 -1.463 1.00 0.00 C ATOM 731 CG LEU A 65 -3.672 -0.530 -1.688 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.963 0.700 -0.842 1.00 0.00 C ATOM 733 CD2 LEU A 65 -2.286 -1.078 -1.376 1.00 0.00 C ATOM 0 H LEU A 65 -6.271 0.274 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.303 -2.181 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.259 -1.385 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.243 -2.564 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.697 -0.238 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.193 1.452 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.936 1.107 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.968 0.423 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.541 -0.300 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.248 -1.400 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.075 -1.927 -2.027 1.00 0.00 H new ATOM 745 N LYS A 66 -7.152 -3.704 -2.876 1.00 0.00 N ATOM 746 CA LYS A 66 -8.217 -4.642 -2.542 1.00 0.00 C ATOM 747 C LYS A 66 -7.755 -5.614 -1.460 1.00 0.00 C ATOM 748 O LYS A 66 -6.557 -5.797 -1.250 1.00 0.00 O ATOM 749 CB LYS A 66 -8.658 -5.411 -3.788 1.00 0.00 C ATOM 750 CG LYS A 66 -9.961 -4.904 -4.385 1.00 0.00 C ATOM 751 CD LYS A 66 -9.785 -3.541 -5.034 1.00 0.00 C ATOM 752 CE LYS A 66 -10.540 -3.447 -6.350 1.00 0.00 C ATOM 753 NZ LYS A 66 -12.014 -3.480 -6.149 1.00 0.00 N ATOM 0 H LYS A 66 -6.622 -3.946 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.066 -4.076 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.873 -5.346 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.770 -6.465 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.324 -5.616 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.719 -4.841 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.139 -2.765 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.725 -3.354 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.264 -2.525 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.244 -4.272 -6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.492 -3.414 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.281 -4.371 -5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.301 -2.678 -5.552 1.00 0.00 H new ATOM 767 N PRO A 67 -8.702 -6.253 -0.755 1.00 0.00 N ATOM 768 CA PRO A 67 -8.383 -7.210 0.310 1.00 0.00 C ATOM 769 C PRO A 67 -7.486 -8.342 -0.178 1.00 0.00 C ATOM 770 O PRO A 67 -7.741 -8.942 -1.222 1.00 0.00 O ATOM 771 CB PRO A 67 -9.753 -7.757 0.740 1.00 0.00 C ATOM 772 CG PRO A 67 -10.695 -7.374 -0.354 1.00 0.00 C ATOM 773 CD PRO A 67 -10.153 -6.101 -0.937 1.00 0.00 C ATOM 0 HA PRO A 67 -7.831 -6.737 1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.721 -8.839 0.870 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.064 -7.331 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.753 -8.156 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.704 -7.228 0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.420 -5.991 -1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.536 -5.223 -0.418 1.00 0.00 H new ATOM 781 N TYR A 68 -6.434 -8.624 0.592 1.00 0.00 N ATOM 782 CA TYR A 68 -5.478 -9.688 0.264 1.00 0.00 C ATOM 783 C TYR A 68 -4.405 -9.200 -0.710 1.00 0.00 C ATOM 784 O TYR A 68 -3.552 -9.976 -1.138 1.00 0.00 O ATOM 785 CB TYR A 68 -6.193 -10.919 -0.307 1.00 0.00 C ATOM 786 CG TYR A 68 -5.837 -12.204 0.404 1.00 0.00 C ATOM 787 CD1 TYR A 68 -6.533 -12.605 1.537 1.00 0.00 C ATOM 788 CD2 TYR A 68 -4.806 -13.014 -0.055 1.00 0.00 C ATOM 789 CE1 TYR A 68 -6.211 -13.777 2.193 1.00 0.00 C ATOM 790 CE2 TYR A 68 -4.480 -14.188 0.594 1.00 0.00 C ATOM 791 CZ TYR A 68 -5.184 -14.566 1.718 1.00 0.00 C ATOM 792 OH TYR A 68 -4.861 -15.735 2.368 1.00 0.00 O ATOM 0 H TYR A 68 -6.219 -8.126 1.456 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.986 -9.974 1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.270 -10.765 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.945 -11.016 -1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.339 -11.991 1.911 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.251 -12.721 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.761 -14.074 3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.677 -14.808 0.223 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.116 -16.172 1.904 1.00 0.00 H new ATOM 802 N ASP A 69 -4.450 -7.913 -1.055 1.00 0.00 N ATOM 803 CA ASP A 69 -3.481 -7.325 -1.974 1.00 0.00 C ATOM 804 C ASP A 69 -2.057 -7.577 -1.495 1.00 0.00 C ATOM 805 O ASP A 69 -1.473 -6.765 -0.777 1.00 0.00 O ATOM 806 CB ASP A 69 -3.728 -5.822 -2.130 1.00 0.00 C ATOM 807 CG ASP A 69 -3.586 -5.065 -0.825 1.00 0.00 C ATOM 808 OD1 ASP A 69 -4.564 -5.029 -0.051 1.00 0.00 O ATOM 809 OD2 ASP A 69 -2.497 -4.503 -0.584 1.00 0.00 O ATOM 0 H ASP A 69 -5.151 -7.257 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.607 -7.802 -2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.025 -5.417 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.729 -5.663 -2.530 1.00 0.00 H new ATOM 814 N ARG A 70 -1.510 -8.714 -1.896 1.00 0.00 N ATOM 815 CA ARG A 70 -0.160 -9.096 -1.515 1.00 0.00 C ATOM 816 C ARG A 70 0.869 -8.162 -2.149 1.00 0.00 C ATOM 817 O ARG A 70 1.087 -8.190 -3.360 1.00 0.00 O ATOM 818 CB ARG A 70 0.092 -10.540 -1.941 1.00 0.00 C ATOM 819 CG ARG A 70 1.528 -11.002 -1.743 1.00 0.00 C ATOM 820 CD ARG A 70 1.760 -12.381 -2.345 1.00 0.00 C ATOM 821 NE ARG A 70 2.789 -12.358 -3.380 1.00 0.00 N ATOM 822 CZ ARG A 70 3.045 -13.381 -4.194 1.00 0.00 C ATOM 823 NH1 ARG A 70 2.351 -14.506 -4.095 1.00 0.00 N ATOM 824 NH2 ARG A 70 4.000 -13.276 -5.108 1.00 0.00 N ATOM 0 H ARG A 70 -1.985 -9.393 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.058 -9.015 -0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.571 -11.196 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.172 -10.649 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.208 -10.285 -2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.760 -11.025 -0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.053 -13.076 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.827 -12.754 -2.769 1.00 0.00 H new ATOM 0 HE ARG A 70 3.344 -11.509 -3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.616 -14.592 -3.393 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.552 -15.286 -4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.538 -12.413 -5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.197 -14.059 -5.732 1.00 0.00 H new ATOM 838 N LEU A 71 1.495 -7.334 -1.319 1.00 0.00 N ATOM 839 CA LEU A 71 2.499 -6.386 -1.791 1.00 0.00 C ATOM 840 C LEU A 71 3.653 -7.103 -2.483 1.00 0.00 C ATOM 841 O LEU A 71 4.357 -7.902 -1.866 1.00 0.00 O ATOM 842 CB LEU A 71 3.032 -5.555 -0.625 1.00 0.00 C ATOM 843 CG LEU A 71 2.007 -4.633 0.036 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.468 -5.259 1.313 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.623 -3.272 0.326 1.00 0.00 C ATOM 0 H LEU A 71 1.324 -7.300 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 71 2.021 -5.727 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.430 -6.232 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.866 -4.950 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 71 1.175 -4.494 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.740 -4.587 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.988 -6.209 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.289 -5.430 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.879 -2.629 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.474 -3.393 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.958 -2.818 -0.607 1.00 0.00 H new ATOM 857 N LEU A 72 3.845 -6.807 -3.763 1.00 0.00 N ATOM 858 CA LEU A 72 4.921 -7.420 -4.531 1.00 0.00 C ATOM 859 C LEU A 72 6.240 -6.688 -4.299 1.00 0.00 C ATOM 860 O LEU A 72 7.186 -7.250 -3.749 1.00 0.00 O ATOM 861 CB LEU A 72 4.590 -7.423 -6.025 1.00 0.00 C ATOM 862 CG LEU A 72 3.211 -7.974 -6.390 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.015 -7.945 -7.897 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.042 -9.388 -5.856 1.00 0.00 C ATOM 0 H LEU A 72 3.271 -6.148 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 72 5.025 -8.450 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.665 -6.402 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.347 -8.009 -6.546 1.00 0.00 H new ATOM 0 HG LEU A 72 2.452 -7.342 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.029 -8.340 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.094 -6.918 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.781 -8.556 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.055 -9.763 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.806 -10.034 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.144 -9.382 -4.771 1.00 0.00 H new ATOM 876 N GLN A 73 6.297 -5.432 -4.730 1.00 0.00 N ATOM 877 CA GLN A 73 7.501 -4.624 -4.575 1.00 0.00 C ATOM 878 C GLN A 73 7.169 -3.253 -3.996 1.00 0.00 C ATOM 879 O GLN A 73 6.295 -2.550 -4.502 1.00 0.00 O ATOM 880 CB GLN A 73 8.208 -4.462 -5.921 1.00 0.00 C ATOM 881 CG GLN A 73 7.324 -3.858 -7.000 1.00 0.00 C ATOM 882 CD GLN A 73 7.763 -4.244 -8.398 1.00 0.00 C ATOM 883 OE1 GLN A 73 6.988 -4.804 -9.173 1.00 0.00 O ATOM 884 NE2 GLN A 73 9.015 -3.946 -8.728 1.00 0.00 N ATOM 0 H GLN A 73 5.523 -4.952 -5.189 1.00 0.00 H new ATOM 0 HA GLN A 73 8.165 -5.140 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.087 -3.832 -5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.563 -5.437 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.295 -4.181 -6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.334 -2.772 -6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.623 -3.481 -8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.368 -4.182 -9.655 1.00 0.00 H new ATOM 893 N VAL A 74 7.874 -2.880 -2.934 1.00 0.00 N ATOM 894 CA VAL A 74 7.658 -1.592 -2.288 1.00 0.00 C ATOM 895 C VAL A 74 8.821 -0.643 -2.558 1.00 0.00 C ATOM 896 O VAL A 74 9.984 -1.038 -2.488 1.00 0.00 O ATOM 897 CB VAL A 74 7.482 -1.747 -0.767 1.00 0.00 C ATOM 898 CG1 VAL A 74 7.058 -0.427 -0.140 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.473 -2.843 -0.456 1.00 0.00 C ATOM 0 H VAL A 74 8.600 -3.452 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 74 6.743 -1.176 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 74 8.441 -2.035 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.939 -0.557 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.820 0.328 -0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.111 -0.106 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.361 -2.939 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.510 -2.588 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.824 -3.788 -0.870 1.00 0.00 H new ATOM 909 N ASN A 75 8.498 0.608 -2.870 1.00 0.00 N ATOM 910 CA ASN A 75 9.516 1.617 -3.154 1.00 0.00 C ATOM 911 C ASN A 75 10.529 1.111 -4.178 1.00 0.00 C ATOM 912 O ASN A 75 11.702 1.482 -4.138 1.00 0.00 O ATOM 913 CB ASN A 75 10.235 2.019 -1.865 1.00 0.00 C ATOM 914 CG ASN A 75 9.361 2.856 -0.952 1.00 0.00 C ATOM 915 OD1 ASN A 75 9.182 2.533 0.223 1.00 0.00 O ATOM 916 ND2 ASN A 75 8.810 3.939 -1.489 1.00 0.00 N ATOM 0 H ASN A 75 7.539 0.949 -2.933 1.00 0.00 H new ATOM 0 HA ASN A 75 9.014 2.489 -3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.554 1.121 -1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.136 2.579 -2.115 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.212 4.541 -0.923 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.985 4.169 -2.467 1.00 0.00 H new ATOM 923 N HIS A 76 10.061 0.261 -5.097 1.00 0.00 N ATOM 924 CA HIS A 76 10.912 -0.309 -6.149 1.00 0.00 C ATOM 925 C HIS A 76 11.637 -1.567 -5.672 1.00 0.00 C ATOM 926 O HIS A 76 12.173 -2.325 -6.480 1.00 0.00 O ATOM 927 CB HIS A 76 11.928 0.722 -6.654 1.00 0.00 C ATOM 928 CG HIS A 76 12.093 0.720 -8.143 1.00 0.00 C ATOM 929 ND1 HIS A 76 13.213 1.220 -8.776 1.00 0.00 N ATOM 930 CD2 HIS A 76 11.274 0.278 -9.126 1.00 0.00 C ATOM 931 CE1 HIS A 76 13.075 1.084 -10.083 1.00 0.00 C ATOM 932 NE2 HIS A 76 11.907 0.517 -10.321 1.00 0.00 N ATOM 0 H HIS A 76 9.090 -0.050 -5.134 1.00 0.00 H new ATOM 0 HA HIS A 76 10.255 -0.589 -6.973 1.00 0.00 H new ATOM 0 HB2 HIS A 76 11.616 1.716 -6.333 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.894 0.526 -6.189 1.00 0.00 H new ATOM 0 HD2 HIS A 76 10.304 -0.178 -8.995 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.795 1.385 -10.829 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.535 0.293 -11.244 1.00 0.00 H new ATOM 941 N VAL A 77 11.655 -1.789 -4.360 1.00 0.00 N ATOM 942 CA VAL A 77 12.317 -2.957 -3.793 1.00 0.00 C ATOM 943 C VAL A 77 11.405 -4.177 -3.829 1.00 0.00 C ATOM 944 O VAL A 77 10.218 -4.087 -3.516 1.00 0.00 O ATOM 945 CB VAL A 77 12.759 -2.703 -2.340 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.578 -3.873 -1.814 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.545 -1.406 -2.239 1.00 0.00 C ATOM 0 H VAL A 77 11.219 -1.175 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 77 13.199 -3.148 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 77 11.866 -2.610 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.880 -3.673 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.976 -4.781 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.465 -4.004 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.848 -1.244 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.430 -1.467 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.920 -0.576 -2.568 1.00 0.00 H new ATOM 957 N ARG A 78 11.969 -5.320 -4.208 1.00 0.00 N ATOM 958 CA ARG A 78 11.206 -6.560 -4.279 1.00 0.00 C ATOM 959 C ARG A 78 10.828 -7.042 -2.883 1.00 0.00 C ATOM 960 O ARG A 78 11.690 -7.207 -2.019 1.00 0.00 O ATOM 961 CB ARG A 78 12.014 -7.638 -5.002 1.00 0.00 C ATOM 962 CG ARG A 78 12.282 -7.322 -6.465 1.00 0.00 C ATOM 963 CD ARG A 78 11.409 -8.157 -7.389 1.00 0.00 C ATOM 964 NE ARG A 78 12.168 -9.213 -8.053 1.00 0.00 N ATOM 965 CZ ARG A 78 11.612 -10.234 -8.699 1.00 0.00 C ATOM 966 NH1 ARG A 78 10.290 -10.342 -8.769 1.00 0.00 N ATOM 967 NH2 ARG A 78 12.376 -11.150 -9.278 1.00 0.00 N ATOM 0 H ARG A 78 12.950 -5.412 -4.470 1.00 0.00 H new ATOM 0 HA ARG A 78 10.291 -6.366 -4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.966 -7.772 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.480 -8.586 -4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.098 -6.263 -6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.332 -7.507 -6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.595 -8.601 -6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.954 -7.511 -8.140 1.00 0.00 H new ATOM 0 HE ARG A 78 13.186 -9.165 -8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.697 -9.640 -8.326 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.868 -11.127 -9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.392 -11.072 -9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.948 -11.932 -9.773 1.00 0.00 H new ATOM 981 N THR A 79 9.537 -7.262 -2.666 1.00 0.00 N ATOM 982 CA THR A 79 9.052 -7.721 -1.370 1.00 0.00 C ATOM 983 C THR A 79 7.878 -8.680 -1.531 1.00 0.00 C ATOM 984 O THR A 79 6.987 -8.732 -0.684 1.00 0.00 O ATOM 985 CB THR A 79 8.637 -6.530 -0.506 1.00 0.00 C ATOM 986 OG1 THR A 79 7.401 -5.994 -0.950 1.00 0.00 O ATOM 987 CG2 THR A 79 9.651 -5.406 -0.506 1.00 0.00 C ATOM 0 H THR A 79 8.809 -7.131 -3.368 1.00 0.00 H new ATOM 0 HA THR A 79 9.865 -8.254 -0.877 1.00 0.00 H new ATOM 0 HB THR A 79 8.556 -6.924 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.276 -6.202 -1.899 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.294 -4.593 0.127 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.602 -5.774 -0.121 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.789 -5.040 -1.523 1.00 0.00 H new ATOM 995 N ARG A 80 7.885 -9.442 -2.619 1.00 0.00 N ATOM 996 CA ARG A 80 6.822 -10.401 -2.883 1.00 0.00 C ATOM 997 C ARG A 80 6.826 -11.504 -1.829 1.00 0.00 C ATOM 998 O ARG A 80 5.800 -11.791 -1.211 1.00 0.00 O ATOM 999 CB ARG A 80 6.984 -11.006 -4.279 1.00 0.00 C ATOM 1000 CG ARG A 80 6.132 -10.328 -5.342 1.00 0.00 C ATOM 1001 CD ARG A 80 6.445 -10.851 -6.736 1.00 0.00 C ATOM 1002 NE ARG A 80 6.652 -12.299 -6.749 1.00 0.00 N ATOM 1003 CZ ARG A 80 7.303 -12.947 -7.714 1.00 0.00 C ATOM 1004 NH1 ARG A 80 7.805 -12.281 -8.748 1.00 0.00 N ATOM 1005 NH2 ARG A 80 7.451 -14.262 -7.645 1.00 0.00 N ATOM 0 H ARG A 80 8.615 -9.413 -3.331 1.00 0.00 H new ATOM 0 HA ARG A 80 5.867 -9.878 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.032 -10.945 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.725 -12.064 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.077 -10.491 -5.121 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.301 -9.252 -5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.627 -10.597 -7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.338 -10.355 -7.117 1.00 0.00 H new ATOM 0 HE ARG A 80 6.276 -12.845 -5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.693 -11.269 -8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.303 -12.782 -9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.067 -14.778 -6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.949 -14.759 -8.384 1.00 0.00 H new ATOM 1019 N ASP A 81 7.989 -12.113 -1.627 1.00 0.00 N ATOM 1020 CA ASP A 81 8.137 -13.181 -0.644 1.00 0.00 C ATOM 1021 C ASP A 81 8.636 -12.632 0.692 1.00 0.00 C ATOM 1022 O ASP A 81 9.304 -13.336 1.450 1.00 0.00 O ATOM 1023 CB ASP A 81 9.102 -14.248 -1.162 1.00 0.00 C ATOM 1024 CG ASP A 81 8.691 -15.650 -0.751 1.00 0.00 C ATOM 1025 OD1 ASP A 81 9.015 -16.053 0.386 1.00 0.00 O ATOM 1026 OD2 ASP A 81 8.045 -16.342 -1.564 1.00 0.00 O ATOM 0 H ASP A 81 8.845 -11.885 -2.132 1.00 0.00 H new ATOM 0 HA ASP A 81 7.157 -13.631 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.152 -14.191 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.104 -14.041 -0.786 1.00 0.00 H new ATOM 1031 N PHE A 82 8.310 -11.375 0.975 1.00 0.00 N ATOM 1032 CA PHE A 82 8.729 -10.738 2.218 1.00 0.00 C ATOM 1033 C PHE A 82 7.811 -11.141 3.367 1.00 0.00 C ATOM 1034 O PHE A 82 6.742 -11.711 3.149 1.00 0.00 O ATOM 1035 CB PHE A 82 8.725 -9.215 2.063 1.00 0.00 C ATOM 1036 CG PHE A 82 10.071 -8.631 1.727 1.00 0.00 C ATOM 1037 CD1 PHE A 82 10.992 -9.356 0.986 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.413 -7.357 2.151 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.227 -8.820 0.673 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.648 -6.817 1.841 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.555 -7.548 1.101 1.00 0.00 C ATOM 0 H PHE A 82 7.757 -10.778 0.360 1.00 0.00 H new ATOM 0 HA PHE A 82 9.742 -11.071 2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.016 -8.941 1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.367 -8.767 2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.741 -10.351 0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.708 -6.779 2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.935 -9.395 0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.903 -5.823 2.178 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.519 -7.127 0.857 1.00 0.00 H new ATOM 1051 N ASP A 83 8.234 -10.837 4.588 1.00 0.00 N ATOM 1052 CA ASP A 83 7.446 -11.162 5.769 1.00 0.00 C ATOM 1053 C ASP A 83 6.843 -9.899 6.371 1.00 0.00 C ATOM 1054 O ASP A 83 7.299 -8.790 6.092 1.00 0.00 O ATOM 1055 CB ASP A 83 8.314 -11.876 6.808 1.00 0.00 C ATOM 1056 CG ASP A 83 8.201 -13.386 6.713 1.00 0.00 C ATOM 1057 OD1 ASP A 83 7.079 -13.909 6.871 1.00 0.00 O ATOM 1058 OD2 ASP A 83 9.237 -14.045 6.481 1.00 0.00 O ATOM 0 H ASP A 83 9.117 -10.367 4.785 1.00 0.00 H new ATOM 0 HA ASP A 83 6.636 -11.828 5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.355 -11.583 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.020 -11.554 7.807 1.00 0.00 H new ATOM 1063 N CYS A 84 5.818 -10.069 7.199 1.00 0.00 N ATOM 1064 CA CYS A 84 5.157 -8.937 7.835 1.00 0.00 C ATOM 1065 C CYS A 84 6.176 -8.037 8.526 1.00 0.00 C ATOM 1066 O CYS A 84 6.081 -6.813 8.466 1.00 0.00 O ATOM 1067 CB CYS A 84 4.118 -9.427 8.847 1.00 0.00 C ATOM 1068 SG CYS A 84 2.408 -9.272 8.281 1.00 0.00 S ATOM 0 H CYS A 84 5.428 -10.979 7.445 1.00 0.00 H new ATOM 0 HA CYS A 84 4.651 -8.359 7.062 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.319 -10.472 9.081 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.235 -8.865 9.773 1.00 0.00 H new ATOM 0 HG CYS A 84 2.235 -10.001 7.219 1.00 0.00 H new ATOM 1074 N CYS A 85 7.155 -8.655 9.177 1.00 0.00 N ATOM 1075 CA CYS A 85 8.192 -7.914 9.875 1.00 0.00 C ATOM 1076 C CYS A 85 9.017 -7.072 8.905 1.00 0.00 C ATOM 1077 O CYS A 85 9.640 -6.088 9.299 1.00 0.00 O ATOM 1078 CB CYS A 85 9.103 -8.871 10.645 1.00 0.00 C ATOM 1079 SG CYS A 85 8.525 -9.260 12.314 1.00 0.00 S ATOM 0 H CYS A 85 7.250 -9.669 9.234 1.00 0.00 H new ATOM 0 HA CYS A 85 7.705 -7.241 10.581 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.198 -9.798 10.080 1.00 0.00 H new ATOM 0 HB3 CYS A 85 10.099 -8.434 10.710 1.00 0.00 H new ATOM 0 HG CYS A 85 9.361 -10.077 12.883 1.00 0.00 H new ATOM 1085 N LEU A 86 9.021 -7.469 7.633 1.00 0.00 N ATOM 1086 CA LEU A 86 9.773 -6.750 6.611 1.00 0.00 C ATOM 1087 C LEU A 86 8.887 -5.732 5.900 1.00 0.00 C ATOM 1088 O LEU A 86 9.351 -4.667 5.481 1.00 0.00 O ATOM 1089 CB LEU A 86 10.352 -7.735 5.590 1.00 0.00 C ATOM 1090 CG LEU A 86 11.741 -8.275 5.931 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.729 -8.963 7.287 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.219 -9.234 4.850 1.00 0.00 C ATOM 0 H LEU A 86 8.512 -8.283 7.288 1.00 0.00 H new ATOM 0 HA LEU A 86 10.589 -6.218 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.666 -8.576 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.398 -7.243 4.618 1.00 0.00 H new ATOM 0 HG LEU A 86 12.434 -7.435 5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.726 -9.341 7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.429 -8.249 8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.023 -9.793 7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.209 -9.609 5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.524 -10.070 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.267 -8.711 3.895 1.00 0.00 H new ATOM 1104 N VAL A 87 7.606 -6.058 5.779 1.00 0.00 N ATOM 1105 CA VAL A 87 6.653 -5.178 5.123 1.00 0.00 C ATOM 1106 C VAL A 87 6.227 -4.040 6.045 1.00 0.00 C ATOM 1107 O VAL A 87 6.006 -2.916 5.592 1.00 0.00 O ATOM 1108 CB VAL A 87 5.408 -5.955 4.654 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.442 -5.035 3.921 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.818 -7.121 3.769 1.00 0.00 C ATOM 0 H VAL A 87 7.205 -6.928 6.128 1.00 0.00 H new ATOM 0 HA VAL A 87 7.154 -4.756 4.252 1.00 0.00 H new ATOM 0 HB VAL A 87 4.896 -6.350 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.570 -5.605 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.125 -4.234 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.938 -4.607 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.929 -7.662 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.353 -6.745 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.467 -7.793 4.330 1.00 0.00 H new ATOM 1120 N VAL A 88 6.108 -4.330 7.339 1.00 0.00 N ATOM 1121 CA VAL A 88 5.705 -3.313 8.303 1.00 0.00 C ATOM 1122 C VAL A 88 6.662 -2.122 8.267 1.00 0.00 C ATOM 1123 O VAL A 88 6.230 -0.978 8.131 1.00 0.00 O ATOM 1124 CB VAL A 88 5.619 -3.875 9.740 1.00 0.00 C ATOM 1125 CG1 VAL A 88 5.277 -2.773 10.734 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.592 -4.994 9.812 1.00 0.00 C ATOM 0 H VAL A 88 6.283 -5.252 7.740 1.00 0.00 H new ATOM 0 HA VAL A 88 4.708 -2.981 8.014 1.00 0.00 H new ATOM 0 HB VAL A 88 6.595 -4.281 10.006 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.222 -3.193 11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.049 -2.004 10.704 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.315 -2.332 10.472 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.544 -5.379 10.831 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.614 -4.609 9.523 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.881 -5.797 9.134 1.00 0.00 H new ATOM 1136 N PRO A 89 7.983 -2.369 8.366 1.00 0.00 N ATOM 1137 CA PRO A 89 8.986 -1.306 8.321 1.00 0.00 C ATOM 1138 C PRO A 89 9.031 -0.645 6.950 1.00 0.00 C ATOM 1139 O PRO A 89 9.002 0.581 6.840 1.00 0.00 O ATOM 1140 CB PRO A 89 10.311 -2.024 8.616 1.00 0.00 C ATOM 1141 CG PRO A 89 9.925 -3.364 9.145 1.00 0.00 C ATOM 1142 CD PRO A 89 8.606 -3.690 8.511 1.00 0.00 C ATOM 0 HA PRO A 89 8.769 -0.508 9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.917 -2.117 7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.905 -1.470 9.343 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.675 -4.114 8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.843 -3.346 10.232 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.731 -4.187 7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.009 -4.353 9.137 1.00 0.00 H new ATOM 1150 N LEU A 90 9.088 -1.465 5.900 1.00 0.00 N ATOM 1151 CA LEU A 90 9.120 -0.950 4.537 1.00 0.00 C ATOM 1152 C LEU A 90 7.931 -0.024 4.289 1.00 0.00 C ATOM 1153 O LEU A 90 8.000 0.889 3.466 1.00 0.00 O ATOM 1154 CB LEU A 90 9.101 -2.100 3.531 1.00 0.00 C ATOM 1155 CG LEU A 90 10.361 -2.967 3.512 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.070 -4.315 2.870 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.486 -2.255 2.776 1.00 0.00 C ATOM 0 H LEU A 90 9.113 -2.482 5.969 1.00 0.00 H new ATOM 0 HA LEU A 90 10.042 -0.383 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.244 -2.737 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.948 -1.687 2.534 1.00 0.00 H new ATOM 0 HG LEU A 90 10.678 -3.138 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.977 -4.919 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.295 -4.829 3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.729 -4.164 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.375 -2.886 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.179 -2.054 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.711 -1.314 3.278 1.00 0.00 H new ATOM 1169 N ILE A 91 6.843 -0.271 5.013 1.00 0.00 N ATOM 1170 CA ILE A 91 5.633 0.528 4.885 1.00 0.00 C ATOM 1171 C ILE A 91 5.799 1.880 5.580 1.00 0.00 C ATOM 1172 O ILE A 91 5.480 2.924 5.011 1.00 0.00 O ATOM 1173 CB ILE A 91 4.413 -0.232 5.472 1.00 0.00 C ATOM 1174 CG1 ILE A 91 3.909 -1.265 4.463 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.284 0.719 5.866 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.893 -2.228 5.039 1.00 0.00 C ATOM 0 H ILE A 91 6.777 -1.024 5.698 1.00 0.00 H new ATOM 0 HA ILE A 91 5.456 0.706 3.824 1.00 0.00 H new ATOM 0 HB ILE A 91 4.742 -0.740 6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.464 -0.745 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.758 -1.831 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.450 0.146 6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.644 1.419 6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.951 1.272 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.580 -2.931 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.340 -2.775 5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.026 -1.672 5.396 1.00 0.00 H new ATOM 1188 N ALA A 92 6.292 1.850 6.812 1.00 0.00 N ATOM 1189 CA ALA A 92 6.494 3.062 7.589 1.00 0.00 C ATOM 1190 C ALA A 92 7.756 3.813 7.165 1.00 0.00 C ATOM 1191 O ALA A 92 8.052 4.885 7.693 1.00 0.00 O ATOM 1192 CB ALA A 92 6.550 2.731 9.072 1.00 0.00 C ATOM 0 H ALA A 92 6.560 0.993 7.295 1.00 0.00 H new ATOM 0 HA ALA A 92 5.646 3.719 7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.702 3.647 9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.613 2.264 9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.375 2.045 9.261 1.00 0.00 H new ATOM 1198 N GLU A 93 8.507 3.245 6.223 1.00 0.00 N ATOM 1199 CA GLU A 93 9.742 3.871 5.757 1.00 0.00 C ATOM 1200 C GLU A 93 9.494 4.812 4.580 1.00 0.00 C ATOM 1201 O GLU A 93 10.376 5.579 4.195 1.00 0.00 O ATOM 1202 CB GLU A 93 10.761 2.801 5.362 1.00 0.00 C ATOM 1203 CG GLU A 93 11.737 2.453 6.474 1.00 0.00 C ATOM 1204 CD GLU A 93 12.773 1.433 6.044 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.406 0.480 5.326 1.00 0.00 O ATOM 1206 OE2 GLU A 93 13.951 1.587 6.425 1.00 0.00 O ATOM 0 H GLU A 93 8.284 2.359 5.770 1.00 0.00 H new ATOM 0 HA GLU A 93 10.138 4.465 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.230 1.898 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.321 3.147 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.242 3.360 6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.184 2.065 7.329 1.00 0.00 H new ATOM 1213 N SER A 94 8.297 4.752 4.012 1.00 0.00 N ATOM 1214 CA SER A 94 7.948 5.604 2.881 1.00 0.00 C ATOM 1215 C SER A 94 7.941 7.074 3.280 1.00 0.00 C ATOM 1216 O SER A 94 8.160 7.957 2.451 1.00 0.00 O ATOM 1217 CB SER A 94 6.582 5.208 2.323 1.00 0.00 C ATOM 1218 OG SER A 94 6.719 4.345 1.207 1.00 0.00 O ATOM 0 H SER A 94 7.552 4.124 4.314 1.00 0.00 H new ATOM 0 HA SER A 94 8.705 5.464 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.998 4.714 3.099 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.032 6.102 2.030 1.00 0.00 H new ATOM 0 HG SER A 94 7.577 3.874 1.261 1.00 0.00 H new ATOM 1224 N GLY A 95 7.686 7.323 4.553 1.00 0.00 N ATOM 1225 CA GLY A 95 7.649 8.686 5.054 1.00 0.00 C ATOM 1226 C GLY A 95 6.262 9.292 4.979 1.00 0.00 C ATOM 1227 O GLY A 95 5.694 9.686 5.998 1.00 0.00 O ATOM 0 H GLY A 95 7.503 6.605 5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.993 8.699 6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.342 9.300 4.480 1.00 0.00 H new ATOM 1231 N ASN A 96 5.715 9.368 3.769 1.00 0.00 N ATOM 1232 CA ASN A 96 4.383 9.934 3.568 1.00 0.00 C ATOM 1233 C ASN A 96 3.822 9.566 2.192 1.00 0.00 C ATOM 1234 O ASN A 96 2.907 10.222 1.694 1.00 0.00 O ATOM 1235 CB ASN A 96 4.427 11.455 3.718 1.00 0.00 C ATOM 1236 CG ASN A 96 5.378 12.108 2.736 1.00 0.00 C ATOM 1237 OD1 ASN A 96 5.007 12.410 1.602 1.00 0.00 O ATOM 1238 ND2 ASN A 96 6.614 12.327 3.166 1.00 0.00 N ATOM 0 H ASN A 96 6.171 9.046 2.915 1.00 0.00 H new ATOM 0 HA ASN A 96 3.725 9.513 4.328 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.426 11.860 3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.729 11.708 4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.299 12.762 2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.879 12.061 4.114 1.00 0.00 H new ATOM 1245 N LYS A 97 4.366 8.511 1.590 1.00 0.00 N ATOM 1246 CA LYS A 97 3.916 8.055 0.281 1.00 0.00 C ATOM 1247 C LYS A 97 4.446 6.654 0.000 1.00 0.00 C ATOM 1248 O LYS A 97 5.653 6.455 -0.141 1.00 0.00 O ATOM 1249 CB LYS A 97 4.382 9.019 -0.811 1.00 0.00 C ATOM 1250 CG LYS A 97 3.361 9.224 -1.918 1.00 0.00 C ATOM 1251 CD LYS A 97 3.847 10.231 -2.946 1.00 0.00 C ATOM 1252 CE LYS A 97 4.897 9.624 -3.866 1.00 0.00 C ATOM 1253 NZ LYS A 97 5.548 10.654 -4.722 1.00 0.00 N ATOM 0 H LYS A 97 5.122 7.955 1.991 1.00 0.00 H new ATOM 0 HA LYS A 97 2.826 8.028 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.613 9.983 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.307 8.641 -1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.158 8.272 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.420 9.568 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.003 10.585 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.265 11.099 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.655 9.118 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.432 8.868 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.256 10.200 -5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.829 11.120 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.014 11.362 -4.119 1.00 0.00 H new ATOM 1267 N LEU A 98 3.543 5.681 -0.065 1.00 0.00 N ATOM 1268 CA LEU A 98 3.936 4.298 -0.308 1.00 0.00 C ATOM 1269 C LEU A 98 3.530 3.823 -1.700 1.00 0.00 C ATOM 1270 O LEU A 98 2.374 3.474 -1.935 1.00 0.00 O ATOM 1271 CB LEU A 98 3.320 3.379 0.749 1.00 0.00 C ATOM 1272 CG LEU A 98 4.325 2.698 1.682 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.604 1.793 2.667 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.350 1.910 0.880 1.00 0.00 C ATOM 0 H LEU A 98 2.539 5.823 0.047 1.00 0.00 H new ATOM 0 HA LEU A 98 5.023 4.256 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.624 3.961 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.737 2.609 0.244 1.00 0.00 H new ATOM 0 HG LEU A 98 4.852 3.469 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.332 1.316 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.910 2.385 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.052 1.028 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.056 1.433 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.842 1.147 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.888 2.585 0.214 1.00 0.00 H new ATOM 1286 N ASP A 99 4.498 3.780 -2.609 1.00 0.00 N ATOM 1287 CA ASP A 99 4.251 3.307 -3.963 1.00 0.00 C ATOM 1288 C ASP A 99 4.664 1.845 -4.064 1.00 0.00 C ATOM 1289 O ASP A 99 5.828 1.508 -3.846 1.00 0.00 O ATOM 1290 CB ASP A 99 5.028 4.149 -4.978 1.00 0.00 C ATOM 1291 CG ASP A 99 4.242 4.388 -6.253 1.00 0.00 C ATOM 1292 OD1 ASP A 99 3.756 3.401 -6.846 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.113 5.563 -6.660 1.00 0.00 O ATOM 0 H ASP A 99 5.460 4.067 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 99 3.189 3.402 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.287 5.108 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.965 3.648 -5.221 1.00 0.00 H new ATOM 1298 N LEU A 100 3.709 0.973 -4.363 1.00 0.00 N ATOM 1299 CA LEU A 100 4.000 -0.454 -4.448 1.00 0.00 C ATOM 1300 C LEU A 100 3.056 -1.184 -5.395 1.00 0.00 C ATOM 1301 O LEU A 100 1.952 -0.720 -5.680 1.00 0.00 O ATOM 1302 CB LEU A 100 3.899 -1.079 -3.057 1.00 0.00 C ATOM 1303 CG LEU A 100 2.721 -0.582 -2.211 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.672 -1.673 -2.058 1.00 0.00 C ATOM 1305 CD2 LEU A 100 3.202 -0.105 -0.849 1.00 0.00 C ATOM 0 H LEU A 100 2.738 1.224 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 100 5.010 -0.557 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.819 -2.161 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.825 -0.880 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 100 2.263 0.262 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.845 -1.300 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.302 -1.963 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.117 -2.539 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.351 0.244 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.689 -0.928 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.912 0.712 -0.979 1.00 0.00 H new ATOM 1317 N VAL A 101 3.502 -2.348 -5.855 1.00 0.00 N ATOM 1318 CA VAL A 101 2.714 -3.189 -6.746 1.00 0.00 C ATOM 1319 C VAL A 101 2.184 -4.388 -5.974 1.00 0.00 C ATOM 1320 O VAL A 101 2.949 -5.273 -5.593 1.00 0.00 O ATOM 1321 CB VAL A 101 3.551 -3.686 -7.941 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.660 -4.343 -8.983 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.342 -2.538 -8.551 1.00 0.00 C ATOM 0 H VAL A 101 4.417 -2.733 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 101 1.889 -2.591 -7.132 1.00 0.00 H new ATOM 0 HB VAL A 101 4.258 -4.434 -7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.270 -4.687 -9.818 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.144 -5.193 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.927 -3.621 -9.342 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.927 -2.907 -9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.655 -1.766 -8.897 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.011 -2.118 -7.800 1.00 0.00 H new ATOM 1333 N ILE A 102 0.881 -4.411 -5.729 1.00 0.00 N ATOM 1334 CA ILE A 102 0.268 -5.506 -4.984 1.00 0.00 C ATOM 1335 C ILE A 102 -0.412 -6.490 -5.922 1.00 0.00 C ATOM 1336 O ILE A 102 -0.685 -6.160 -7.070 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.773 -4.982 -3.973 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.895 -4.244 -4.709 1.00 0.00 C ATOM 1339 CG2 ILE A 102 -0.115 -4.073 -2.941 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.961 -5.166 -5.266 1.00 0.00 C ATOM 0 H ILE A 102 0.229 -3.688 -6.033 1.00 0.00 H new ATOM 0 HA ILE A 102 1.069 -6.011 -4.445 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.203 -5.833 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.361 -3.534 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.464 -3.665 -5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.868 -3.715 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.650 -4.630 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.344 -3.223 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.724 -4.576 -5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.508 -5.860 -5.974 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.419 -5.727 -4.451 1.00 0.00 H new ATOM 1352 N SER A 103 -0.687 -7.694 -5.426 1.00 0.00 N ATOM 1353 CA SER A 103 -1.343 -8.721 -6.230 1.00 0.00 C ATOM 1354 C SER A 103 -2.256 -9.592 -5.372 1.00 0.00 C ATOM 1355 O SER A 103 -1.843 -10.098 -4.330 1.00 0.00 O ATOM 1356 CB SER A 103 -0.296 -9.596 -6.925 1.00 0.00 C ATOM 1357 OG SER A 103 0.054 -10.713 -6.126 1.00 0.00 O ATOM 0 H SER A 103 -0.466 -7.982 -4.473 1.00 0.00 H new ATOM 0 HA SER A 103 -1.953 -8.220 -6.982 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.684 -9.939 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.594 -9.004 -7.136 1.00 0.00 H new ATOM 0 HG SER A 103 -0.382 -10.639 -5.251 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.496 -9.774 -5.818 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.451 -10.598 -5.082 1.00 0.00 C ATOM 1365 C ARG A 104 -5.376 -11.358 -6.028 1.00 0.00 C ATOM 1366 O ARG A 104 -5.735 -10.863 -7.095 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.275 -9.740 -4.117 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.778 -8.441 -4.722 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.112 -8.631 -5.428 1.00 0.00 C ATOM 1370 NE ARG A 104 -7.621 -7.381 -5.987 1.00 0.00 N ATOM 1371 CZ ARG A 104 -7.016 -6.703 -6.959 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -5.907 -7.175 -7.515 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -7.529 -5.558 -7.388 1.00 0.00 N ATOM 0 H ARG A 104 -3.861 -9.366 -6.678 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.880 -11.327 -4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.129 -10.321 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.667 -9.510 -3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.884 -7.691 -3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.042 -8.060 -5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.998 -9.365 -6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.840 -9.036 -4.724 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.491 -7.006 -5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.515 -8.061 -7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -5.447 -6.651 -8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.388 -5.197 -6.973 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.065 -5.039 -8.133 1.00 0.00 H new ATOM 1387 N ASN A 105 -5.755 -12.568 -5.625 1.00 0.00 N ATOM 1388 CA ASN A 105 -6.639 -13.403 -6.430 1.00 0.00 C ATOM 1389 C ASN A 105 -8.053 -12.826 -6.456 1.00 0.00 C ATOM 1390 O ASN A 105 -8.642 -12.562 -5.408 1.00 0.00 O ATOM 1391 CB ASN A 105 -6.671 -14.829 -5.876 1.00 0.00 C ATOM 1392 CG ASN A 105 -7.059 -14.871 -4.412 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -6.067 -14.769 -3.537 1.00 0.00 O flip ATOM 1394 ND2 ASN A 105 -8.235 -14.993 -4.073 1.00 0.00 N flip ATOM 0 H ASN A 105 -5.463 -12.992 -4.744 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.252 -13.424 -7.449 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.378 -15.425 -6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.690 -15.287 -6.002 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.965 -15.068 -4.782 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -8.480 -15.019 -3.083 1.00 0.00 H new ATOM 1401 N PRO A 106 -8.626 -12.621 -7.658 1.00 0.00 N ATOM 1402 CA PRO A 106 -9.979 -12.072 -7.801 1.00 0.00 C ATOM 1403 C PRO A 106 -11.015 -12.879 -7.024 1.00 0.00 C ATOM 1404 O PRO A 106 -11.409 -12.433 -5.927 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.248 -12.165 -9.305 1.00 0.00 C ATOM 1406 CG PRO A 106 -8.897 -12.179 -9.932 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.007 -12.906 -8.966 1.00 0.00 C ATOM 1408 OXT PRO A 106 -11.422 -13.951 -7.521 1.00 0.00 O ATOM 0 HA PRO A 106 -10.050 -11.059 -7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -10.808 -13.067 -9.552 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.838 -11.318 -9.655 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.919 -12.683 -10.898 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.537 -11.165 -10.109 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.977 -13.976 -9.173 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -6.980 -12.543 -9.013 1.00 0.00 H new