USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 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 77 SER OG : rot -91:sc= 1.23 USER MOD Set 1.2: A 80 ASN : amide:sc= 0.727 K(o=2,f=-0.4!) USER MOD Set 2.1: A 68 CYS SG : rot -72:sc= -0.983 USER MOD Set 2.2: A 73 MET CE :methyl -175:sc= -0.535 (180deg=-0.442) USER MOD Set 3.1: A 45 HIS : no HE2:sc= -0.244 K(o=0.43,f=-15!) USER MOD Set 3.2: A 48 LYS NZ :NH3+ 150:sc= 0.675 (180deg=-2.41!) USER MOD Set 4.1: A 44 CYS SG : rot 162:sc= -0.824! USER MOD Set 4.2: A 50 CYS SG : rot -97:sc= -1.94 USER MOD Set 4.3: A 60 CYS SG : rot 100:sc= -1.49 USER MOD Set 4.4: A 63 CYS SG : rot 172:sc= -5.56! USER MOD Set 5.1: A 40 MET CE :methyl -123:sc= -0.106 (180deg=-2.61!) USER MOD Set 5.2: A 42 TYR OH : rot -137:sc= 0.368 USER MOD Set 5.3: A 66 GLN : amide:sc= -1.25 K(o=-0.99,f=-3!) USER MOD Set 6.1: A 35 SER OG : rot -17:sc= 0.725 USER MOD Set 6.2: A 39 ASN : amide:sc= -6.76! C(o=-5.5!,f=-5.9!) USER MOD Set 6.3: A 61 GLN : amide:sc= 0.501 K(o=-5.5,f=-6.2) USER MOD Set 7.1: A 37 GLN :FLIP amide:sc= -4.49! C(o=-10!,f=-8.4!) USER MOD Set 7.2: A 38 LYS NZ :NH3+ -138:sc= -1.4 (180deg=-3.31) USER MOD Set 7.3: A 75 LYS NZ :NH3+ -119:sc= -2.53 (180deg=-0.976) USER MOD Set 8.1: A 20 TYR OH : rot 29:sc= -3.81! USER MOD Set 8.2: A 29 LYS NZ :NH3+ -163:sc= 0.853 (180deg=-0.731) USER MOD Set 9.1: A 18 TYR OH : rot 12:sc= -1.5! USER MOD Set 9.2: A 19 HIS : no HD1:sc= -0.948 X(o=-2.5,f=-2.3!) USER MOD Set10.1: A 8 CYS SG : rot -11:sc= -2.59! USER MOD Set10.2: A 11 CYS SG : rot -20:sc= 1.48 USER MOD Set10.3: A 25 CYS SG : rot 149:sc= 0.117 USER MOD Set10.4: A 28 CYS SG : rot 158:sc= 0.69 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.328 X(o=0.33,f=-0.14) USER MOD Single : A 16 SER OG : rot 81:sc= 1.08 USER MOD Single : A 23 SER OG : rot -73:sc= 0.122 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.684 K(o=-0.68,f=-2.9!) USER MOD Single : A 53 ASN : amide:sc= -3.5! C(o=-3.5!,f=-7.4!) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 1.08 (180deg=0.994) USER MOD Single : A 56 THR OG1 : rot -141:sc= -0.179 USER MOD Single : A 58 ASN : amide:sc=-0.00554 K(o=-0.0055,f=-0.81) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 1.01 (180deg=0.9) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.793 9.563 -0.586 1.00 0.00 N ATOM 47 CA LYS A 6 7.011 8.327 -0.347 1.00 0.00 C ATOM 48 C LYS A 6 6.669 7.354 -1.481 1.00 0.00 C ATOM 49 O LYS A 6 6.545 6.197 -1.102 1.00 0.00 O ATOM 50 CB LYS A 6 5.822 8.507 0.589 1.00 0.00 C ATOM 51 CG LYS A 6 5.306 9.959 0.625 1.00 0.00 C ATOM 52 CD LYS A 6 5.956 10.899 1.649 1.00 0.00 C ATOM 53 CE LYS A 6 5.263 12.264 1.569 1.00 0.00 C ATOM 54 NZ LYS A 6 6.012 13.279 2.320 1.00 0.00 N ATOM 0 HA LYS A 6 7.821 7.786 0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.014 7.847 0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.108 8.203 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.440 10.392 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.234 9.934 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.864 10.486 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.021 11.003 1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.174 12.570 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.251 12.186 1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.522 14.194 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.075 12.995 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.969 13.368 1.924 1.00 0.00 H new ATOM 55 N PRO A 7 6.014 7.744 -2.582 1.00 0.00 N ATOM 56 CA PRO A 7 4.779 8.529 -2.647 1.00 0.00 C ATOM 57 C PRO A 7 3.546 7.735 -2.233 1.00 0.00 C ATOM 58 O PRO A 7 2.445 8.052 -2.628 1.00 0.00 O ATOM 59 CB PRO A 7 4.658 8.938 -4.096 1.00 0.00 C ATOM 60 CG PRO A 7 5.391 7.855 -4.871 1.00 0.00 C ATOM 61 CD PRO A 7 6.565 7.579 -3.939 1.00 0.00 C ATOM 0 HA PRO A 7 4.828 9.372 -1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.614 9.005 -4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.104 9.918 -4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.773 6.971 -5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.715 8.198 -5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.959 6.574 -4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.386 8.273 -4.120 1.00 0.00 H new ATOM 62 N CYS A 8 3.766 6.799 -1.323 1.00 0.00 N ATOM 63 CA CYS A 8 3.071 5.510 -1.424 1.00 0.00 C ATOM 64 C CYS A 8 2.063 4.943 -0.420 1.00 0.00 C ATOM 65 O CYS A 8 1.099 4.327 -0.871 1.00 0.00 O ATOM 66 CB CYS A 8 4.178 4.515 -1.711 1.00 0.00 C ATOM 67 SG CYS A 8 3.617 2.805 -2.036 1.00 0.00 S ATOM 0 H CYS A 8 4.398 6.894 -0.528 1.00 0.00 H new ATOM 0 HA CYS A 8 2.307 5.718 -2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.746 4.865 -2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.863 4.502 -0.863 1.00 0.00 H new ATOM 0 HG CYS A 8 2.360 2.694 -1.724 1.00 0.00 H new ATOM 68 N PHE A 9 2.155 5.125 0.891 1.00 0.00 N ATOM 69 CA PHE A 9 3.113 5.958 1.641 1.00 0.00 C ATOM 70 C PHE A 9 4.437 5.259 2.078 1.00 0.00 C ATOM 71 O PHE A 9 5.298 5.831 2.737 1.00 0.00 O ATOM 72 CB PHE A 9 2.395 6.626 2.807 1.00 0.00 C ATOM 73 CG PHE A 9 3.231 7.435 3.791 1.00 0.00 C ATOM 74 CD1 PHE A 9 3.512 8.765 3.437 1.00 0.00 C ATOM 75 CD2 PHE A 9 3.389 6.989 5.127 1.00 0.00 C ATOM 76 CE1 PHE A 9 3.900 9.687 4.409 1.00 0.00 C ATOM 77 CE2 PHE A 9 3.752 7.919 6.127 1.00 0.00 C ATOM 78 CZ PHE A 9 3.978 9.263 5.756 1.00 0.00 C ATOM 0 H PHE A 9 1.506 4.655 1.522 1.00 0.00 H new ATOM 0 HA PHE A 9 3.469 6.711 0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.632 7.286 2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.876 5.850 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.427 9.075 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.234 5.950 5.378 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.136 10.705 4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.855 7.608 7.156 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.217 9.986 6.522 1.00 0.00 H new ATOM 79 N VAL A 10 4.726 4.191 1.333 1.00 0.00 N ATOM 80 CA VAL A 10 5.649 3.095 1.687 1.00 0.00 C ATOM 81 C VAL A 10 6.866 2.812 0.775 1.00 0.00 C ATOM 82 O VAL A 10 7.992 2.867 1.232 1.00 0.00 O ATOM 83 CB VAL A 10 4.637 1.956 1.804 1.00 0.00 C ATOM 84 CG1 VAL A 10 5.017 0.542 1.398 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.845 1.985 3.125 1.00 0.00 C ATOM 0 H VAL A 10 4.303 4.054 0.415 1.00 0.00 H new ATOM 0 HA VAL A 10 6.240 3.314 2.576 1.00 0.00 H new ATOM 0 HB VAL A 10 3.990 2.226 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.167 -0.122 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.299 0.529 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.858 0.203 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.143 1.151 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.535 1.901 3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.296 2.923 3.199 1.00 0.00 H new ATOM 86 N CYS A 11 6.624 2.966 -0.526 1.00 0.00 N ATOM 87 CA CYS A 11 7.505 2.590 -1.649 1.00 0.00 C ATOM 88 C CYS A 11 8.040 3.939 -2.165 1.00 0.00 C ATOM 89 O CYS A 11 7.466 4.674 -2.973 1.00 0.00 O ATOM 90 CB CYS A 11 6.656 1.749 -2.610 1.00 0.00 C ATOM 91 SG CYS A 11 6.519 2.205 -4.380 1.00 0.00 S ATOM 0 H CYS A 11 5.753 3.383 -0.853 1.00 0.00 H new ATOM 0 HA CYS A 11 8.370 1.963 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.041 0.730 -2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.644 1.724 -2.206 1.00 0.00 H new ATOM 0 HG CYS A 11 6.842 3.455 -4.532 1.00 0.00 H new ATOM 92 N GLN A 12 9.152 4.224 -1.522 1.00 0.00 N ATOM 93 CA GLN A 12 9.477 5.488 -0.835 1.00 0.00 C ATOM 94 C GLN A 12 10.292 6.507 -1.664 1.00 0.00 C ATOM 95 O GLN A 12 11.498 6.669 -1.504 1.00 0.00 O ATOM 96 CB GLN A 12 10.216 5.062 0.439 1.00 0.00 C ATOM 97 CG GLN A 12 10.361 6.112 1.547 1.00 0.00 C ATOM 98 CD GLN A 12 9.034 6.492 2.237 1.00 0.00 C ATOM 99 OE1 GLN A 12 8.883 7.546 2.834 1.00 0.00 O ATOM 100 NE2 GLN A 12 8.097 5.569 2.326 1.00 0.00 N ATOM 0 H GLN A 12 9.911 3.546 -1.452 1.00 0.00 H new ATOM 0 HA GLN A 12 8.559 6.041 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.699 4.198 0.857 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.215 4.729 0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.054 5.736 2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.808 7.011 1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.206 4.682 1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.263 5.742 2.887 1.00 0.00 H new ATOM 124 N SER A 16 2.377 11.732 -4.788 1.00 0.00 N ATOM 125 CA SER A 16 1.463 11.799 -5.947 1.00 0.00 C ATOM 126 C SER A 16 -0.009 12.135 -5.589 1.00 0.00 C ATOM 127 O SER A 16 -0.908 11.319 -5.800 1.00 0.00 O ATOM 128 CB SER A 16 1.615 10.490 -6.728 1.00 0.00 C ATOM 129 OG SER A 16 1.644 9.385 -5.816 1.00 0.00 O ATOM 0 HA SER A 16 1.749 12.645 -6.572 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.788 10.375 -7.428 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.531 10.511 -7.318 1.00 0.00 H new ATOM 0 HG SER A 16 0.729 9.158 -5.548 1.00 0.00 H new ATOM 130 N GLY A 17 -0.208 13.320 -5.010 1.00 0.00 N ATOM 131 CA GLY A 17 -1.555 13.889 -4.738 1.00 0.00 C ATOM 132 C GLY A 17 -1.652 14.984 -3.645 1.00 0.00 C ATOM 133 O GLY A 17 -0.946 15.979 -3.723 1.00 0.00 O ATOM 0 H GLY A 17 0.556 13.925 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.941 14.305 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.217 13.070 -4.456 1.00 0.00 H new ATOM 134 N TYR A 18 -2.424 14.776 -2.570 1.00 0.00 N ATOM 135 CA TYR A 18 -3.047 13.474 -2.218 1.00 0.00 C ATOM 136 C TYR A 18 -4.573 13.342 -2.035 1.00 0.00 C ATOM 137 O TYR A 18 -5.274 14.297 -1.718 1.00 0.00 O ATOM 138 CB TYR A 18 -2.323 12.766 -1.066 1.00 0.00 C ATOM 139 CG TYR A 18 -2.177 11.283 -1.414 1.00 0.00 C ATOM 140 CD1 TYR A 18 -1.726 10.991 -2.726 1.00 0.00 C ATOM 141 CD2 TYR A 18 -2.999 10.349 -0.717 1.00 0.00 C ATOM 142 CE1 TYR A 18 -2.286 9.930 -3.436 1.00 0.00 C ATOM 143 CE2 TYR A 18 -3.480 9.222 -1.382 1.00 0.00 C ATOM 144 CZ TYR A 18 -3.159 9.065 -2.751 1.00 0.00 C ATOM 145 OH TYR A 18 -3.804 8.124 -3.481 1.00 0.00 O ATOM 0 H TYR A 18 -2.643 15.516 -1.903 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.899 12.976 -3.176 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.343 13.214 -0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.884 12.883 -0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.948 11.591 -3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.248 10.514 0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.057 9.777 -4.480 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.082 8.488 -0.866 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.407 8.075 -4.376 1.00 0.00 H new ATOM 146 N HIS A 19 -5.038 12.130 -2.356 1.00 0.00 N ATOM 147 CA HIS A 19 -6.403 11.590 -2.185 1.00 0.00 C ATOM 148 C HIS A 19 -6.789 11.303 -0.713 1.00 0.00 C ATOM 149 O HIS A 19 -7.006 12.228 0.065 1.00 0.00 O ATOM 150 CB HIS A 19 -6.470 10.294 -3.028 1.00 0.00 C ATOM 151 CG HIS A 19 -6.345 10.514 -4.525 1.00 0.00 C ATOM 152 ND1 HIS A 19 -6.989 11.406 -5.267 1.00 0.00 N ATOM 153 CD2 HIS A 19 -5.601 9.756 -5.325 1.00 0.00 C ATOM 154 CE1 HIS A 19 -6.660 11.201 -6.538 1.00 0.00 C ATOM 155 NE2 HIS A 19 -5.810 10.178 -6.572 1.00 0.00 N ATOM 0 H HIS A 19 -4.420 11.437 -2.779 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.122 12.339 -2.516 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.675 9.622 -2.704 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.415 9.791 -2.824 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.950 8.950 -5.021 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.017 11.763 -7.388 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.388 9.782 -7.412 1.00 0.00 H new ATOM 156 N TYR A 20 -6.686 10.038 -0.291 1.00 0.00 N ATOM 157 CA TYR A 20 -7.340 9.538 0.938 1.00 0.00 C ATOM 158 C TYR A 20 -6.425 9.170 2.120 1.00 0.00 C ATOM 159 O TYR A 20 -5.797 8.120 2.110 1.00 0.00 O ATOM 160 CB TYR A 20 -8.357 8.431 0.607 1.00 0.00 C ATOM 161 CG TYR A 20 -7.981 7.377 -0.455 1.00 0.00 C ATOM 162 CD1 TYR A 20 -6.763 6.650 -0.388 1.00 0.00 C ATOM 163 CD2 TYR A 20 -8.868 7.231 -1.547 1.00 0.00 C ATOM 164 CE1 TYR A 20 -6.423 5.787 -1.435 1.00 0.00 C ATOM 165 CE2 TYR A 20 -8.565 6.309 -2.560 1.00 0.00 C ATOM 166 CZ TYR A 20 -7.350 5.586 -2.464 1.00 0.00 C ATOM 167 OH TYR A 20 -7.101 4.573 -3.340 1.00 0.00 O ATOM 0 H TYR A 20 -6.149 9.327 -0.787 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.867 10.408 1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -8.584 7.902 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.278 8.914 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.106 6.762 0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -9.769 7.823 -1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.466 5.287 -1.449 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.239 6.155 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.591 3.868 -2.889 1.00 0.00 H new ATOM 168 N GLY A 21 -6.191 10.179 2.969 1.00 0.00 N ATOM 169 CA GLY A 21 -5.618 10.022 4.329 1.00 0.00 C ATOM 170 C GLY A 21 -4.097 9.859 4.451 1.00 0.00 C ATOM 171 O GLY A 21 -3.491 10.238 5.443 1.00 0.00 O ATOM 0 H GLY A 21 -6.396 11.150 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.910 10.892 4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.086 9.153 4.791 1.00 0.00 H new ATOM 172 N VAL A 22 -3.519 9.292 3.394 1.00 0.00 N ATOM 173 CA VAL A 22 -2.084 8.935 3.267 1.00 0.00 C ATOM 174 C VAL A 22 -1.421 9.839 2.216 1.00 0.00 C ATOM 175 O VAL A 22 -1.845 10.961 1.943 1.00 0.00 O ATOM 176 CB VAL A 22 -2.107 7.425 2.917 1.00 0.00 C ATOM 177 CG1 VAL A 22 -2.739 7.137 1.560 1.00 0.00 C ATOM 178 CG2 VAL A 22 -0.857 6.646 2.689 1.00 0.00 C ATOM 0 H VAL A 22 -4.052 9.053 2.558 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.485 9.093 4.164 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.603 7.128 3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.725 6.063 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.769 7.493 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.175 7.648 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.110 5.611 2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.305 7.079 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.240 6.677 3.587 1.00 0.00 H new ATOM 179 N SER A 23 -0.255 9.386 1.783 1.00 0.00 N ATOM 180 CA SER A 23 0.287 9.684 0.455 1.00 0.00 C ATOM 181 C SER A 23 0.285 8.363 -0.319 1.00 0.00 C ATOM 182 O SER A 23 0.697 7.338 0.225 1.00 0.00 O ATOM 183 CB SER A 23 1.722 10.156 0.489 1.00 0.00 C ATOM 184 OG SER A 23 2.068 10.622 -0.815 1.00 0.00 O ATOM 0 H SER A 23 0.354 8.793 2.347 1.00 0.00 H new ATOM 0 HA SER A 23 -0.319 10.474 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.843 10.953 1.222 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.383 9.343 0.790 1.00 0.00 H new ATOM 0 HG SER A 23 2.165 9.858 -1.420 1.00 0.00 H new ATOM 185 N ALA A 24 -0.400 8.321 -1.445 1.00 0.00 N ATOM 186 CA ALA A 24 -0.340 7.124 -2.287 1.00 0.00 C ATOM 187 C ALA A 24 0.158 7.302 -3.717 1.00 0.00 C ATOM 188 O ALA A 24 -0.269 8.169 -4.467 1.00 0.00 O ATOM 189 CB ALA A 24 -1.626 6.271 -2.276 1.00 0.00 C ATOM 0 H ALA A 24 -0.991 9.074 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 24 0.449 6.575 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.494 5.406 -2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.831 5.934 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.463 6.870 -2.635 1.00 0.00 H new ATOM 190 N CYS A 25 0.824 6.232 -4.106 1.00 0.00 N ATOM 191 CA CYS A 25 1.794 6.196 -5.228 1.00 0.00 C ATOM 192 C CYS A 25 1.146 6.149 -6.623 1.00 0.00 C ATOM 193 O CYS A 25 1.806 6.049 -7.655 1.00 0.00 O ATOM 194 CB CYS A 25 2.518 4.878 -5.018 1.00 0.00 C ATOM 195 SG CYS A 25 3.847 4.325 -6.143 1.00 0.00 S ATOM 0 H CYS A 25 0.715 5.327 -3.648 1.00 0.00 H new ATOM 0 HA CYS A 25 2.409 7.096 -5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.945 4.908 -4.015 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.758 4.096 -5.018 1.00 0.00 H new ATOM 0 HG CYS A 25 4.712 3.618 -5.478 1.00 0.00 H new ATOM 196 N GLU A 26 -0.162 6.413 -6.596 1.00 0.00 N ATOM 197 CA GLU A 26 -1.142 6.447 -7.707 1.00 0.00 C ATOM 198 C GLU A 26 -1.327 5.096 -8.402 1.00 0.00 C ATOM 199 O GLU A 26 -2.434 4.558 -8.370 1.00 0.00 O ATOM 200 CB GLU A 26 -0.927 7.651 -8.629 1.00 0.00 C ATOM 201 CG GLU A 26 -1.386 8.963 -7.966 1.00 0.00 C ATOM 202 CD GLU A 26 -2.798 8.904 -7.397 1.00 0.00 C ATOM 203 OE1 GLU A 26 -3.747 9.095 -8.189 1.00 0.00 O ATOM 204 OE2 GLU A 26 -2.923 8.593 -6.182 1.00 0.00 O ATOM 0 H GLU A 26 -0.617 6.632 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.124 6.619 -7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.128 7.725 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.476 7.501 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.692 9.216 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.333 9.768 -8.700 1.00 0.00 H new ATOM 205 N GLY A 27 -0.192 4.469 -8.667 1.00 0.00 N ATOM 206 CA GLY A 27 -0.072 3.011 -8.848 1.00 0.00 C ATOM 207 C GLY A 27 -0.644 2.295 -7.608 1.00 0.00 C ATOM 208 O GLY A 27 -1.503 1.436 -7.750 1.00 0.00 O ATOM 0 H GLY A 27 0.697 4.960 -8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.610 2.699 -9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.973 2.736 -8.992 1.00 0.00 H new ATOM 209 N CYS A 28 -0.359 2.841 -6.411 1.00 0.00 N ATOM 210 CA CYS A 28 -0.890 2.274 -5.163 1.00 0.00 C ATOM 211 C CYS A 28 -2.371 2.511 -4.896 1.00 0.00 C ATOM 212 O CYS A 28 -3.045 1.563 -4.537 1.00 0.00 O ATOM 213 CB CYS A 28 -0.058 2.435 -3.926 1.00 0.00 C ATOM 214 SG CYS A 28 1.569 1.666 -4.242 1.00 0.00 S ATOM 0 H CYS A 28 0.229 3.665 -6.285 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.799 1.216 -5.410 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.060 3.490 -3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.545 1.961 -3.074 1.00 0.00 H new ATOM 0 HG CYS A 28 2.450 2.164 -3.426 1.00 0.00 H new ATOM 215 N LYS A 29 -2.882 3.715 -5.155 1.00 0.00 N ATOM 216 CA LYS A 29 -4.336 3.991 -5.193 1.00 0.00 C ATOM 217 C LYS A 29 -5.072 3.006 -6.138 1.00 0.00 C ATOM 218 O LYS A 29 -6.074 2.398 -5.756 1.00 0.00 O ATOM 219 CB LYS A 29 -4.450 5.447 -5.656 1.00 0.00 C ATOM 220 CG LYS A 29 -5.846 6.085 -5.618 1.00 0.00 C ATOM 221 CD LYS A 29 -6.744 5.744 -6.811 1.00 0.00 C ATOM 222 CE LYS A 29 -8.228 5.867 -6.451 1.00 0.00 C ATOM 223 NZ LYS A 29 -8.646 4.705 -5.652 1.00 0.00 N ATOM 0 H LYS A 29 -2.306 4.535 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.811 3.850 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.785 6.051 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.078 5.507 -6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.348 5.771 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.733 7.168 -5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.514 6.410 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.533 4.729 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.401 6.786 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.828 5.930 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.684 4.638 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.243 3.839 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.307 4.816 -4.675 1.00 0.00 H new ATOM 224 N GLY A 30 -4.496 2.798 -7.327 1.00 0.00 N ATOM 225 CA GLY A 30 -4.952 1.791 -8.317 1.00 0.00 C ATOM 226 C GLY A 30 -4.972 0.378 -7.728 1.00 0.00 C ATOM 227 O GLY A 30 -6.046 -0.223 -7.605 1.00 0.00 O ATOM 0 H GLY A 30 -3.685 3.329 -7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.951 2.052 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.294 1.813 -9.186 1.00 0.00 H new ATOM 228 N PHE A 31 -3.824 -0.048 -7.226 1.00 0.00 N ATOM 229 CA PHE A 31 -3.630 -1.302 -6.444 1.00 0.00 C ATOM 230 C PHE A 31 -4.613 -1.484 -5.279 1.00 0.00 C ATOM 231 O PHE A 31 -5.109 -2.588 -5.049 1.00 0.00 O ATOM 232 CB PHE A 31 -2.168 -1.290 -5.993 1.00 0.00 C ATOM 233 CG PHE A 31 -1.752 -2.165 -4.809 1.00 0.00 C ATOM 234 CD1 PHE A 31 -1.940 -1.623 -3.512 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.268 -3.477 -4.985 1.00 0.00 C ATOM 236 CE1 PHE A 31 -1.722 -2.415 -2.385 1.00 0.00 C ATOM 237 CE2 PHE A 31 -1.010 -4.266 -3.845 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.275 -3.747 -2.552 1.00 0.00 C ATOM 0 H PHE A 31 -2.957 0.475 -7.345 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.849 -2.167 -7.070 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.557 -1.580 -6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.907 -0.260 -5.749 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.252 -0.596 -3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.098 -3.871 -5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.892 -2.016 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.611 -5.264 -3.956 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.134 -4.376 -1.685 1.00 0.00 H new ATOM 239 N PHE A 32 -4.960 -0.367 -4.665 1.00 0.00 N ATOM 240 CA PHE A 32 -5.702 -0.320 -3.393 1.00 0.00 C ATOM 241 C PHE A 32 -7.151 -0.689 -3.722 1.00 0.00 C ATOM 242 O PHE A 32 -7.620 -1.768 -3.362 1.00 0.00 O ATOM 243 CB PHE A 32 -5.488 1.109 -2.875 1.00 0.00 C ATOM 244 CG PHE A 32 -5.224 1.166 -1.384 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.285 0.267 -0.848 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.093 1.921 -0.574 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.302 0.020 0.541 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.127 1.633 0.778 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.256 0.676 1.334 1.00 0.00 C ATOM 0 H PHE A 32 -4.735 0.557 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.383 -1.012 -2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.648 1.559 -3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.369 1.709 -3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.566 -0.224 -1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.713 2.699 -0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.593 -0.662 0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.830 2.148 1.416 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.323 0.444 2.387 1.00 0.00 H new ATOM 250 N ARG A 33 -7.709 0.026 -4.709 1.00 0.00 N ATOM 251 CA ARG A 33 -8.976 -0.335 -5.357 1.00 0.00 C ATOM 252 C ARG A 33 -9.019 -1.721 -5.985 1.00 0.00 C ATOM 253 O ARG A 33 -9.991 -2.459 -5.848 1.00 0.00 O ATOM 254 CB ARG A 33 -9.190 0.785 -6.388 1.00 0.00 C ATOM 255 CG ARG A 33 -10.511 0.629 -7.114 1.00 0.00 C ATOM 256 CD ARG A 33 -10.914 1.798 -8.006 1.00 0.00 C ATOM 257 NE ARG A 33 -9.944 2.008 -9.095 1.00 0.00 N ATOM 258 CZ ARG A 33 -9.478 3.182 -9.516 1.00 0.00 C ATOM 259 NH1 ARG A 33 -9.852 4.333 -8.980 1.00 0.00 N ATOM 260 NH2 ARG A 33 -8.681 3.231 -10.583 1.00 0.00 N ATOM 0 H ARG A 33 -7.290 0.878 -5.082 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.775 -0.408 -4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.162 1.752 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.374 0.776 -7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.465 -0.272 -7.725 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.296 0.472 -6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.901 1.611 -8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.991 2.705 -7.406 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.597 1.176 -9.571 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.523 4.344 -8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.469 5.209 -9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.431 2.372 -11.073 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.321 4.128 -10.910 1.00 0.00 H new ATOM 261 N ARG A 34 -7.914 -2.101 -6.603 1.00 0.00 N ATOM 262 CA ARG A 34 -7.810 -3.423 -7.215 1.00 0.00 C ATOM 263 C ARG A 34 -7.985 -4.563 -6.216 1.00 0.00 C ATOM 264 O ARG A 34 -9.077 -5.130 -6.118 1.00 0.00 O ATOM 265 CB ARG A 34 -6.453 -3.498 -7.966 1.00 0.00 C ATOM 266 CG ARG A 34 -6.240 -4.756 -8.798 1.00 0.00 C ATOM 267 CD ARG A 34 -7.117 -4.763 -10.046 1.00 0.00 C ATOM 268 NE ARG A 34 -6.956 -6.048 -10.738 1.00 0.00 N ATOM 269 CZ ARG A 34 -7.738 -6.545 -11.701 1.00 0.00 C ATOM 270 NH1 ARG A 34 -8.787 -5.889 -12.180 1.00 0.00 N ATOM 271 NH2 ARG A 34 -7.581 -7.809 -12.073 1.00 0.00 N ATOM 0 H ARG A 34 -7.080 -1.521 -6.696 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.631 -3.554 -7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.370 -2.631 -8.621 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.647 -3.424 -7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.192 -4.826 -9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.462 -5.635 -8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.161 -4.611 -9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.838 -3.942 -10.707 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.163 -6.623 -10.453 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.023 -4.967 -11.813 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.357 -6.306 -12.916 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.871 -8.388 -11.625 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.171 -8.202 -12.807 1.00 0.00 H new ATOM 272 N SER A 35 -7.095 -4.587 -5.236 1.00 0.00 N ATOM 273 CA SER A 35 -7.150 -5.638 -4.215 1.00 0.00 C ATOM 274 C SER A 35 -7.739 -5.234 -2.868 1.00 0.00 C ATOM 275 O SER A 35 -7.204 -5.526 -1.799 1.00 0.00 O ATOM 276 CB SER A 35 -5.777 -6.202 -4.042 1.00 0.00 C ATOM 277 OG SER A 35 -5.301 -6.779 -5.269 1.00 0.00 O ATOM 0 H SER A 35 -6.340 -3.911 -5.121 1.00 0.00 H new ATOM 0 HA SER A 35 -7.853 -6.383 -4.588 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.095 -5.416 -3.716 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.787 -6.960 -3.259 1.00 0.00 H new ATOM 0 HG SER A 35 -6.056 -6.922 -5.878 1.00 0.00 H new ATOM 278 N ILE A 36 -8.673 -4.295 -2.963 1.00 0.00 N ATOM 279 CA ILE A 36 -9.778 -4.233 -1.987 1.00 0.00 C ATOM 280 C ILE A 36 -11.160 -4.302 -2.637 1.00 0.00 C ATOM 281 O ILE A 36 -11.806 -5.338 -2.519 1.00 0.00 O ATOM 282 CB ILE A 36 -9.667 -3.036 -1.039 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.417 -3.198 -0.194 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.768 -2.853 -0.025 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.730 -1.856 -0.221 1.00 0.00 C ATOM 0 H ILE A 36 -8.698 -3.576 -3.686 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.671 -5.133 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.690 -2.183 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.669 -3.489 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.770 -3.977 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.563 -1.969 0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.720 -2.727 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.818 -3.730 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.817 -1.903 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.482 -1.595 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.394 -1.099 0.195 1.00 0.00 H new ATOM 286 N GLN A 37 -11.430 -3.345 -3.514 1.00 0.00 N ATOM 287 CA GLN A 37 -12.787 -3.067 -3.978 1.00 0.00 C ATOM 288 C GLN A 37 -13.447 -4.297 -4.647 1.00 0.00 C ATOM 289 O GLN A 37 -14.659 -4.475 -4.603 1.00 0.00 O ATOM 290 CB GLN A 37 -12.684 -1.902 -4.956 1.00 0.00 C ATOM 291 CG GLN A 37 -14.042 -1.351 -5.328 1.00 0.00 C ATOM 292 CD GLN A 37 -13.930 -0.236 -6.381 1.00 0.00 C ATOM 293 OE1 GLN A 37 -13.538 -0.562 -7.593 1.00 0.00 O flip ATOM 294 NE2 GLN A 37 -14.026 0.939 -6.095 1.00 0.00 N flip ATOM 0 H GLN A 37 -10.719 -2.740 -3.924 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.426 -2.820 -3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.080 -1.110 -4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.167 -2.231 -5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.669 -2.155 -5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.535 -0.963 -4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.328 1.213 -5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.804 1.653 -6.789 1.00 0.00 H new ATOM 295 N LYS A 38 -12.597 -4.997 -5.394 1.00 0.00 N ATOM 296 CA LYS A 38 -12.921 -6.171 -6.191 1.00 0.00 C ATOM 297 C LYS A 38 -12.149 -7.460 -5.870 1.00 0.00 C ATOM 298 O LYS A 38 -12.754 -8.505 -5.676 1.00 0.00 O ATOM 299 CB LYS A 38 -12.776 -5.740 -7.650 1.00 0.00 C ATOM 300 CG LYS A 38 -11.431 -5.095 -8.007 1.00 0.00 C ATOM 301 CD LYS A 38 -11.433 -4.423 -9.384 1.00 0.00 C ATOM 302 CE LYS A 38 -12.238 -3.127 -9.356 1.00 0.00 C ATOM 303 NZ LYS A 38 -11.618 -2.168 -8.438 1.00 0.00 N ATOM 0 H LYS A 38 -11.611 -4.744 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.937 -6.480 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.923 -6.612 -8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.573 -5.035 -7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.177 -4.355 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.652 -5.857 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.409 -4.213 -9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.856 -5.102 -10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.291 -2.701 -10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.262 -3.332 -9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.357 -1.693 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.970 -2.670 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.086 -1.460 -8.983 1.00 0.00 H new ATOM 304 N ASN A 39 -10.817 -7.385 -5.841 1.00 0.00 N ATOM 305 CA ASN A 39 -9.969 -8.583 -5.856 1.00 0.00 C ATOM 306 C ASN A 39 -8.913 -8.774 -4.742 1.00 0.00 C ATOM 307 O ASN A 39 -7.719 -8.962 -4.979 1.00 0.00 O ATOM 308 CB ASN A 39 -9.426 -8.851 -7.263 1.00 0.00 C ATOM 309 CG ASN A 39 -8.553 -7.754 -7.863 1.00 0.00 C ATOM 310 OD1 ASN A 39 -7.560 -7.294 -7.311 1.00 0.00 O ATOM 311 ND2 ASN A 39 -8.888 -7.405 -9.082 1.00 0.00 N ATOM 0 H ASN A 39 -10.300 -6.507 -5.807 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.667 -9.370 -5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.848 -9.775 -7.238 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.271 -9.021 -7.931 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.316 -6.734 -9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.720 -7.804 -9.516 1.00 0.00 H new ATOM 312 N MET A 40 -9.395 -8.680 -3.512 1.00 0.00 N ATOM 313 CA MET A 40 -8.676 -9.165 -2.324 1.00 0.00 C ATOM 314 C MET A 40 -9.329 -10.410 -1.719 1.00 0.00 C ATOM 315 O MET A 40 -10.531 -10.629 -1.842 1.00 0.00 O ATOM 316 CB MET A 40 -8.685 -8.080 -1.253 1.00 0.00 C ATOM 317 CG MET A 40 -10.074 -7.583 -0.805 1.00 0.00 C ATOM 318 SD MET A 40 -10.888 -8.556 0.513 1.00 0.00 S ATOM 319 CE MET A 40 -10.184 -7.736 1.929 1.00 0.00 C ATOM 0 H MET A 40 -10.302 -8.264 -3.299 1.00 0.00 H new ATOM 0 HA MET A 40 -7.664 -9.415 -2.643 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.156 -8.457 -0.378 1.00 0.00 H new ATOM 0 HB3 MET A 40 -8.118 -7.226 -1.624 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.976 -6.553 -0.461 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.730 -7.567 -1.675 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.668 -8.466 2.553 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.475 -6.978 1.595 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.977 -7.261 2.506 1.00 0.00 H new ATOM 320 N ILE A 41 -8.442 -11.293 -1.271 1.00 0.00 N ATOM 321 CA ILE A 41 -8.873 -12.414 -0.448 1.00 0.00 C ATOM 322 C ILE A 41 -8.158 -12.733 0.893 1.00 0.00 C ATOM 323 O ILE A 41 -8.843 -12.725 1.912 1.00 0.00 O ATOM 324 CB ILE A 41 -9.226 -13.617 -1.326 1.00 0.00 C ATOM 325 CG1 ILE A 41 -10.136 -14.525 -0.488 1.00 0.00 C ATOM 326 CG2 ILE A 41 -8.031 -14.388 -1.923 1.00 0.00 C ATOM 327 CD1 ILE A 41 -10.904 -15.611 -1.263 1.00 0.00 C ATOM 0 H ILE A 41 -7.440 -11.256 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.778 -12.033 0.026 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.728 -13.245 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.528 -15.012 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.860 -13.899 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.398 -15.218 -2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.442 -13.718 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.407 -14.773 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.513 -16.191 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.548 -15.141 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.195 -16.271 -1.763 1.00 0.00 H new ATOM 328 N TYR A 42 -6.855 -12.948 1.082 1.00 0.00 N ATOM 329 CA TYR A 42 -5.598 -12.808 0.269 1.00 0.00 C ATOM 330 C TYR A 42 -4.402 -13.283 1.084 1.00 0.00 C ATOM 331 O TYR A 42 -3.608 -14.097 0.617 1.00 0.00 O ATOM 332 CB TYR A 42 -5.346 -11.376 -0.281 1.00 0.00 C ATOM 333 CG TYR A 42 -5.461 -10.139 0.582 1.00 0.00 C ATOM 334 CD1 TYR A 42 -6.372 -10.009 1.659 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.988 -9.010 -0.107 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.857 -8.727 1.999 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.477 -7.742 0.215 1.00 0.00 C ATOM 338 CZ TYR A 42 -6.426 -7.618 1.248 1.00 0.00 C ATOM 339 OH TYR A 42 -7.034 -6.409 1.384 1.00 0.00 O ATOM 0 H TYR A 42 -6.584 -13.300 2.001 1.00 0.00 H new ATOM 0 HA TYR A 42 -5.734 -13.437 -0.611 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -4.337 -11.374 -0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.033 -11.238 -1.116 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.692 -10.879 2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.247 -9.122 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.546 -8.600 2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.132 -6.870 -0.320 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.159 -6.004 0.500 1.00 0.00 H new ATOM 340 N THR A 43 -4.335 -12.743 2.302 1.00 0.00 N ATOM 341 CA THR A 43 -3.363 -13.068 3.374 1.00 0.00 C ATOM 342 C THR A 43 -1.916 -12.645 3.091 1.00 0.00 C ATOM 343 O THR A 43 -1.175 -12.323 4.010 1.00 0.00 O ATOM 344 CB THR A 43 -3.480 -14.523 3.857 1.00 0.00 C ATOM 345 OG1 THR A 43 -4.860 -14.860 4.005 1.00 0.00 O ATOM 346 CG2 THR A 43 -2.766 -14.695 5.202 1.00 0.00 C ATOM 0 H THR A 43 -4.994 -12.022 2.595 1.00 0.00 H new ATOM 0 HA THR A 43 -3.661 -12.433 4.208 1.00 0.00 H new ATOM 0 HB THR A 43 -3.014 -15.181 3.123 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.939 -15.788 4.311 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.857 -15.730 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.712 -14.441 5.090 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.221 -14.037 5.942 1.00 0.00 H new ATOM 347 N CYS A 44 -1.529 -12.801 1.830 1.00 0.00 N ATOM 348 CA CYS A 44 -0.479 -12.010 1.158 1.00 0.00 C ATOM 349 C CYS A 44 -0.485 -12.011 -0.387 1.00 0.00 C ATOM 350 O CYS A 44 -0.954 -11.010 -0.913 1.00 0.00 O ATOM 351 CB CYS A 44 0.866 -12.052 1.918 1.00 0.00 C ATOM 352 SG CYS A 44 2.225 -11.177 1.063 1.00 0.00 S ATOM 0 H CYS A 44 -1.946 -13.503 1.218 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.767 -10.963 1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.728 -11.612 2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.155 -13.092 2.069 1.00 0.00 H new ATOM 0 HG CYS A 44 3.182 -10.931 1.908 1.00 0.00 H new ATOM 353 N HIS A 45 0.051 -12.959 -1.154 1.00 0.00 N ATOM 354 CA HIS A 45 0.974 -14.055 -0.800 1.00 0.00 C ATOM 355 C HIS A 45 2.272 -14.060 -1.604 1.00 0.00 C ATOM 356 O HIS A 45 2.284 -14.375 -2.790 1.00 0.00 O ATOM 357 CB HIS A 45 0.265 -15.420 -0.813 1.00 0.00 C ATOM 358 CG HIS A 45 -0.088 -15.883 0.601 1.00 0.00 C ATOM 359 ND1 HIS A 45 -1.194 -16.524 0.958 1.00 0.00 N ATOM 360 CD2 HIS A 45 0.658 -15.754 1.703 1.00 0.00 C ATOM 361 CE1 HIS A 45 -1.137 -16.793 2.255 1.00 0.00 C ATOM 362 NE2 HIS A 45 0.005 -16.292 2.725 1.00 0.00 N ATOM 0 H HIS A 45 -0.170 -12.988 -2.149 1.00 0.00 H new ATOM 0 HA HIS A 45 1.287 -13.859 0.226 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.643 -15.354 -1.412 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.908 -16.160 -1.289 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.963 -16.770 0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.631 -15.289 1.753 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.883 -17.323 2.828 1.00 0.00 H new ATOM 363 N ARG A 46 3.231 -13.344 -1.023 1.00 0.00 N ATOM 364 CA ARG A 46 4.635 -13.781 -1.133 1.00 0.00 C ATOM 365 C ARG A 46 4.931 -14.356 0.269 1.00 0.00 C ATOM 366 O ARG A 46 4.818 -15.560 0.514 1.00 0.00 O ATOM 367 CB ARG A 46 5.697 -12.733 -1.488 1.00 0.00 C ATOM 368 CG ARG A 46 5.543 -12.015 -2.824 1.00 0.00 C ATOM 369 CD ARG A 46 6.917 -11.461 -3.218 1.00 0.00 C ATOM 370 NE ARG A 46 6.838 -10.502 -4.331 1.00 0.00 N ATOM 371 CZ ARG A 46 7.861 -10.041 -5.069 1.00 0.00 C ATOM 372 NH1 ARG A 46 9.105 -10.477 -4.921 1.00 0.00 N ATOM 373 NH2 ARG A 46 7.655 -9.052 -5.924 1.00 0.00 N ATOM 0 H ARG A 46 3.080 -12.489 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 46 4.712 -14.465 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.708 -11.981 -0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.672 -13.221 -1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.175 -12.701 -3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.815 -11.208 -2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.371 -10.974 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.571 -12.286 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 46 5.910 -10.151 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.316 -11.191 -4.224 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.851 -10.098 -5.504 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.724 -8.645 -6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.427 -8.696 -6.488 1.00 0.00 H new ATOM 374 N ASP A 47 5.209 -13.441 1.193 1.00 0.00 N ATOM 375 CA ASP A 47 5.134 -13.610 2.649 1.00 0.00 C ATOM 376 C ASP A 47 4.486 -12.344 3.209 1.00 0.00 C ATOM 377 O ASP A 47 4.644 -11.266 2.640 1.00 0.00 O ATOM 378 CB ASP A 47 6.511 -13.913 3.269 1.00 0.00 C ATOM 379 CG ASP A 47 7.643 -12.909 2.995 1.00 0.00 C ATOM 380 OD1 ASP A 47 7.317 -11.714 2.824 1.00 0.00 O ATOM 381 OD2 ASP A 47 8.812 -13.345 2.985 1.00 0.00 O ATOM 0 H ASP A 47 5.512 -12.502 0.934 1.00 0.00 H new ATOM 0 HA ASP A 47 4.528 -14.478 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.385 -13.993 4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.834 -14.891 2.913 1.00 0.00 H new ATOM 382 N LYS A 48 4.102 -12.385 4.483 1.00 0.00 N ATOM 383 CA LYS A 48 3.376 -11.258 5.112 1.00 0.00 C ATOM 384 C LYS A 48 4.323 -10.282 5.856 1.00 0.00 C ATOM 385 O LYS A 48 3.925 -9.549 6.759 1.00 0.00 O ATOM 386 CB LYS A 48 2.241 -11.794 5.990 1.00 0.00 C ATOM 387 CG LYS A 48 2.621 -13.018 6.836 1.00 0.00 C ATOM 388 CD LYS A 48 1.533 -14.109 6.769 1.00 0.00 C ATOM 389 CE LYS A 48 1.513 -14.822 5.412 1.00 0.00 C ATOM 390 NZ LYS A 48 0.440 -15.830 5.388 1.00 0.00 N ATOM 0 H LYS A 48 4.275 -13.175 5.105 1.00 0.00 H new ATOM 0 HA LYS A 48 2.925 -10.655 4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.904 -10.998 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.397 -12.056 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.569 -13.425 6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.770 -12.714 7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.704 -14.840 7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.558 -13.660 6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.359 -14.097 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.476 -15.299 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.088 -15.940 4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.811 -16.740 5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.339 -15.523 6.005 1.00 0.00 H new ATOM 391 N ASN A 49 5.578 -10.275 5.390 1.00 0.00 N ATOM 392 CA ASN A 49 6.624 -9.261 5.663 1.00 0.00 C ATOM 393 C ASN A 49 7.253 -8.628 4.386 1.00 0.00 C ATOM 394 O ASN A 49 8.334 -8.047 4.418 1.00 0.00 O ATOM 395 CB ASN A 49 7.714 -9.916 6.529 1.00 0.00 C ATOM 396 CG ASN A 49 8.381 -11.112 5.831 1.00 0.00 C ATOM 397 OD1 ASN A 49 7.835 -12.198 5.751 1.00 0.00 O ATOM 398 ND2 ASN A 49 9.450 -10.845 5.108 1.00 0.00 N ATOM 0 H ASN A 49 5.918 -11.016 4.777 1.00 0.00 H new ATOM 0 HA ASN A 49 6.145 -8.432 6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.473 -9.173 6.775 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.275 -10.247 7.470 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.827 -11.550 4.475 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.901 -9.933 5.181 1.00 0.00 H new ATOM 399 N CYS A 50 6.562 -8.830 3.257 1.00 0.00 N ATOM 400 CA CYS A 50 6.937 -8.418 1.881 1.00 0.00 C ATOM 401 C CYS A 50 7.065 -6.882 1.894 1.00 0.00 C ATOM 402 O CYS A 50 6.105 -6.185 2.227 1.00 0.00 O ATOM 403 CB CYS A 50 5.747 -8.898 1.041 1.00 0.00 C ATOM 404 SG CYS A 50 5.748 -9.090 -0.766 1.00 0.00 S ATOM 0 H CYS A 50 5.666 -9.317 3.272 1.00 0.00 H new ATOM 0 HA CYS A 50 7.874 -8.820 1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.471 -9.872 1.444 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.928 -8.216 1.268 1.00 0.00 H new ATOM 0 HG CYS A 50 5.227 -8.033 -1.315 1.00 0.00 H new ATOM 405 N VAL A 51 8.194 -6.399 1.405 1.00 0.00 N ATOM 406 CA VAL A 51 8.831 -5.167 1.901 1.00 0.00 C ATOM 407 C VAL A 51 8.820 -4.091 0.822 1.00 0.00 C ATOM 408 O VAL A 51 9.356 -4.327 -0.256 1.00 0.00 O ATOM 409 CB VAL A 51 10.345 -5.355 2.086 1.00 0.00 C ATOM 410 CG1 VAL A 51 10.860 -4.386 3.135 1.00 0.00 C ATOM 411 CG2 VAL A 51 10.777 -6.721 2.548 1.00 0.00 C ATOM 0 H VAL A 51 8.708 -6.846 0.646 1.00 0.00 H new ATOM 0 HA VAL A 51 8.292 -4.917 2.815 1.00 0.00 H new ATOM 0 HB VAL A 51 10.753 -5.188 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.934 -4.524 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.661 -3.363 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.356 -4.574 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.862 -6.746 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.320 -6.940 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.462 -7.468 1.820 1.00 0.00 H new ATOM 412 N ILE A 52 8.420 -2.893 1.220 1.00 0.00 N ATOM 413 CA ILE A 52 8.729 -1.685 0.437 1.00 0.00 C ATOM 414 C ILE A 52 9.074 -0.396 1.193 1.00 0.00 C ATOM 415 O ILE A 52 8.310 0.145 1.985 1.00 0.00 O ATOM 416 CB ILE A 52 7.940 -1.344 -0.812 1.00 0.00 C ATOM 417 CG1 ILE A 52 6.640 -2.082 -1.158 1.00 0.00 C ATOM 418 CG2 ILE A 52 8.982 -1.411 -1.934 1.00 0.00 C ATOM 419 CD1 ILE A 52 6.766 -3.574 -1.457 1.00 0.00 C ATOM 0 H ILE A 52 7.885 -2.722 2.071 1.00 0.00 H new ATOM 0 HA ILE A 52 9.652 -2.133 0.070 1.00 0.00 H new ATOM 0 HB ILE A 52 7.482 -0.370 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.945 -1.957 -0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.192 -1.596 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.506 -1.178 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.775 -0.689 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.407 -2.414 -1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.782 -3.983 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.428 -3.719 -2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.178 -4.086 -0.587 1.00 0.00 H new ATOM 420 N ASN A 53 10.342 -0.088 0.989 1.00 0.00 N ATOM 421 CA ASN A 53 10.844 1.297 0.880 1.00 0.00 C ATOM 422 C ASN A 53 11.460 1.352 -0.536 1.00 0.00 C ATOM 423 O ASN A 53 10.682 1.519 -1.472 1.00 0.00 O ATOM 424 CB ASN A 53 11.739 1.758 2.039 1.00 0.00 C ATOM 425 CG ASN A 53 13.120 1.106 2.163 1.00 0.00 C ATOM 426 OD1 ASN A 53 13.338 -0.069 1.928 1.00 0.00 O ATOM 427 ND2 ASN A 53 14.125 1.937 2.261 1.00 0.00 N ATOM 0 H ASN A 53 11.073 -0.792 0.891 1.00 0.00 H new ATOM 0 HA ASN A 53 10.053 2.039 0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.881 2.835 1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.200 1.586 2.971 1.00 0.00 H new ATOM 0 HD21 ASN A 53 15.080 1.599 2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.954 2.923 2.458 1.00 0.00 H new ATOM 428 N LYS A 54 12.784 1.380 -0.685 1.00 0.00 N ATOM 429 CA LYS A 54 13.454 0.929 -1.929 1.00 0.00 C ATOM 430 C LYS A 54 14.789 0.155 -1.837 1.00 0.00 C ATOM 431 O LYS A 54 15.720 0.332 -2.623 1.00 0.00 O ATOM 432 CB LYS A 54 13.460 2.021 -3.009 1.00 0.00 C ATOM 433 CG LYS A 54 14.328 3.255 -2.745 1.00 0.00 C ATOM 434 CD LYS A 54 13.785 4.201 -1.666 1.00 0.00 C ATOM 435 CE LYS A 54 14.733 5.381 -1.429 1.00 0.00 C ATOM 436 NZ LYS A 54 14.130 6.305 -0.464 1.00 0.00 N ATOM 0 H LYS A 54 13.425 1.709 0.036 1.00 0.00 H new ATOM 0 HA LYS A 54 12.797 0.116 -2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.789 1.570 -3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.433 2.355 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.325 2.925 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.437 3.812 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.806 4.574 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.645 3.652 -0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.692 5.022 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.931 5.897 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.687 7.183 -0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.156 6.524 -0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.119 5.865 0.478 1.00 0.00 H new ATOM 437 N VAL A 55 14.836 -0.771 -0.882 1.00 0.00 N ATOM 438 CA VAL A 55 15.966 -1.724 -0.677 1.00 0.00 C ATOM 439 C VAL A 55 15.511 -3.180 -1.041 1.00 0.00 C ATOM 440 O VAL A 55 16.271 -4.150 -1.038 1.00 0.00 O ATOM 441 CB VAL A 55 16.249 -1.629 0.832 1.00 0.00 C ATOM 442 CG1 VAL A 55 17.257 -2.650 1.327 1.00 0.00 C ATOM 443 CG2 VAL A 55 16.740 -0.238 1.257 1.00 0.00 C ATOM 0 H VAL A 55 14.083 -0.897 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 55 16.836 -1.494 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 55 15.282 -1.837 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 55 17.407 -2.523 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.884 -3.655 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.205 -2.506 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 55 16.924 -0.230 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 55 17.664 -0.001 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.982 0.506 1.013 1.00 0.00 H new ATOM 444 N THR A 56 14.307 -3.203 -1.569 1.00 0.00 N ATOM 445 CA THR A 56 13.236 -4.148 -1.206 1.00 0.00 C ATOM 446 C THR A 56 12.608 -4.962 -2.353 1.00 0.00 C ATOM 447 O THR A 56 13.290 -5.572 -3.175 1.00 0.00 O ATOM 448 CB THR A 56 12.184 -3.183 -0.638 1.00 0.00 C ATOM 449 OG1 THR A 56 11.855 -2.126 -1.511 1.00 0.00 O ATOM 450 CG2 THR A 56 12.526 -2.689 0.752 1.00 0.00 C ATOM 0 H THR A 56 14.021 -2.544 -2.293 1.00 0.00 H new ATOM 0 HA THR A 56 13.622 -4.929 -0.551 1.00 0.00 H new ATOM 0 HB THR A 56 11.278 -3.782 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.737 -1.301 -0.996 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.746 -2.011 1.099 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.599 -3.538 1.432 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.480 -2.162 0.726 1.00 0.00 H new ATOM 451 N ARG A 57 11.297 -5.150 -2.175 1.00 0.00 N ATOM 452 CA ARG A 57 10.265 -5.421 -3.186 1.00 0.00 C ATOM 453 C ARG A 57 10.474 -6.701 -4.026 1.00 0.00 C ATOM 454 O ARG A 57 10.882 -6.660 -5.186 1.00 0.00 O ATOM 455 CB ARG A 57 9.912 -4.083 -3.789 1.00 0.00 C ATOM 456 CG ARG A 57 10.925 -3.495 -4.805 1.00 0.00 C ATOM 457 CD ARG A 57 10.592 -2.050 -5.206 1.00 0.00 C ATOM 458 NE ARG A 57 9.237 -1.943 -5.772 1.00 0.00 N ATOM 459 CZ ARG A 57 8.446 -0.873 -5.738 1.00 0.00 C ATOM 460 NH1 ARG A 57 8.842 0.284 -5.214 1.00 0.00 N ATOM 461 NH2 ARG A 57 7.211 -0.947 -6.192 1.00 0.00 N ATOM 0 H ARG A 57 10.893 -5.114 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 57 9.323 -5.799 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.946 -4.176 -4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.786 -3.366 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.926 -3.527 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.943 -4.120 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.675 -1.402 -4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.321 -1.697 -5.936 1.00 0.00 H new ATOM 0 HE ARG A 57 8.867 -2.772 -6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.779 0.372 -4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.208 1.083 -5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.859 -1.826 -6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.607 -0.125 -6.164 1.00 0.00 H new ATOM 462 N ASN A 58 10.009 -7.854 -3.525 1.00 0.00 N ATOM 463 CA ASN A 58 9.166 -8.096 -2.321 1.00 0.00 C ATOM 464 C ASN A 58 7.833 -7.316 -2.292 1.00 0.00 C ATOM 465 O ASN A 58 7.497 -6.669 -1.303 1.00 0.00 O ATOM 466 CB ASN A 58 9.904 -7.989 -0.975 1.00 0.00 C ATOM 467 CG ASN A 58 10.988 -9.065 -0.810 1.00 0.00 C ATOM 468 OD1 ASN A 58 10.901 -10.183 -1.300 1.00 0.00 O ATOM 469 ND2 ASN A 58 12.016 -8.766 -0.046 1.00 0.00 N ATOM 0 H ASN A 58 10.229 -8.734 -3.991 1.00 0.00 H new ATOM 0 HA ASN A 58 8.905 -9.147 -2.443 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.360 -7.003 -0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.184 -8.076 -0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.737 -9.465 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.093 -7.835 0.365 1.00 0.00 H new ATOM 470 N ARG A 59 7.144 -7.307 -3.425 1.00 0.00 N ATOM 471 CA ARG A 59 5.875 -6.605 -3.564 1.00 0.00 C ATOM 472 C ARG A 59 4.765 -7.590 -3.967 1.00 0.00 C ATOM 473 O ARG A 59 4.904 -8.397 -4.876 1.00 0.00 O ATOM 474 CB ARG A 59 5.945 -5.463 -4.563 1.00 0.00 C ATOM 475 CG ARG A 59 4.654 -4.714 -4.931 1.00 0.00 C ATOM 476 CD ARG A 59 4.006 -4.009 -3.723 1.00 0.00 C ATOM 477 NE ARG A 59 2.791 -3.297 -4.131 1.00 0.00 N ATOM 478 CZ ARG A 59 2.652 -1.967 -4.240 1.00 0.00 C ATOM 479 NH1 ARG A 59 3.647 -1.130 -3.992 1.00 0.00 N ATOM 480 NH2 ARG A 59 1.494 -1.456 -4.631 1.00 0.00 N ATOM 0 H ARG A 59 7.448 -7.785 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 59 5.645 -6.168 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.652 -4.729 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.370 -5.858 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.875 -3.975 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.941 -5.418 -5.360 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.763 -4.743 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.714 -3.308 -3.282 1.00 0.00 H new ATOM 0 HE ARG A 59 1.974 -3.866 -4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.558 -1.490 -3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.503 -0.125 -4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.712 -2.073 -4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.385 -0.445 -4.715 1.00 0.00 H new ATOM 481 N CYS A 60 3.619 -7.396 -3.322 1.00 0.00 N ATOM 482 CA CYS A 60 2.455 -8.291 -3.407 1.00 0.00 C ATOM 483 C CYS A 60 1.200 -7.548 -2.893 1.00 0.00 C ATOM 484 O CYS A 60 1.275 -6.349 -2.625 1.00 0.00 O ATOM 485 CB CYS A 60 2.756 -9.442 -2.476 1.00 0.00 C ATOM 486 SG CYS A 60 1.800 -10.963 -2.665 1.00 0.00 S ATOM 0 H CYS A 60 3.464 -6.595 -2.710 1.00 0.00 H new ATOM 0 HA CYS A 60 2.273 -8.623 -4.429 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.810 -9.695 -2.589 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.621 -9.088 -1.454 1.00 0.00 H new ATOM 0 HG CYS A 60 2.497 -11.834 -3.333 1.00 0.00 H new ATOM 487 N GLN A 61 0.114 -8.279 -2.625 1.00 0.00 N ATOM 488 CA GLN A 61 -1.134 -7.671 -2.116 1.00 0.00 C ATOM 489 C GLN A 61 -1.123 -7.350 -0.616 1.00 0.00 C ATOM 490 O GLN A 61 -0.538 -6.355 -0.209 1.00 0.00 O ATOM 491 CB GLN A 61 -2.408 -8.463 -2.444 1.00 0.00 C ATOM 492 CG GLN A 61 -2.487 -9.229 -3.760 1.00 0.00 C ATOM 493 CD GLN A 61 -3.747 -10.098 -3.765 1.00 0.00 C ATOM 494 OE1 GLN A 61 -3.778 -11.209 -3.241 1.00 0.00 O ATOM 495 NE2 GLN A 61 -4.837 -9.557 -4.234 1.00 0.00 N ATOM 0 H GLN A 61 0.067 -9.290 -2.749 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.162 -6.731 -2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.567 -9.179 -1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.244 -7.765 -2.420 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.508 -8.533 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.601 -9.852 -3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.803 -8.634 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.724 -10.057 -4.167 1.00 0.00 H new ATOM 496 N TYR A 62 -1.616 -8.291 0.192 1.00 0.00 N ATOM 497 CA TYR A 62 -1.991 -8.027 1.605 1.00 0.00 C ATOM 498 C TYR A 62 -0.901 -7.378 2.427 1.00 0.00 C ATOM 499 O TYR A 62 -1.093 -6.268 2.903 1.00 0.00 O ATOM 500 CB TYR A 62 -2.479 -9.346 2.243 1.00 0.00 C ATOM 501 CG TYR A 62 -2.752 -9.344 3.753 1.00 0.00 C ATOM 502 CD1 TYR A 62 -1.673 -9.398 4.673 1.00 0.00 C ATOM 503 CD2 TYR A 62 -4.085 -9.439 4.202 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.930 -9.568 6.042 1.00 0.00 C ATOM 505 CE2 TYR A 62 -4.352 -9.612 5.571 1.00 0.00 C ATOM 506 CZ TYR A 62 -3.268 -9.677 6.471 1.00 0.00 C ATOM 507 OH TYR A 62 -3.527 -9.832 7.799 1.00 0.00 O ATOM 0 H TYR A 62 -1.770 -9.256 -0.101 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.795 -7.291 1.598 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.396 -9.646 1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.735 -10.115 2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.656 -9.308 4.320 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.899 -9.379 3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.118 -9.614 6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.368 -9.694 5.927 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.495 -9.891 7.939 1.00 0.00 H new ATOM 508 N CYS A 63 0.290 -7.940 2.301 1.00 0.00 N ATOM 509 CA CYS A 63 1.514 -7.381 2.873 1.00 0.00 C ATOM 510 C CYS A 63 1.627 -5.849 2.815 1.00 0.00 C ATOM 511 O CYS A 63 1.384 -5.212 3.844 1.00 0.00 O ATOM 512 CB CYS A 63 2.660 -8.015 2.075 1.00 0.00 C ATOM 513 SG CYS A 63 2.485 -7.816 0.270 1.00 0.00 S ATOM 0 H CYS A 63 0.441 -8.811 1.792 1.00 0.00 H new ATOM 0 HA CYS A 63 1.532 -7.607 3.939 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.603 -7.570 2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 63 2.713 -9.078 2.312 1.00 0.00 H new ATOM 0 HG CYS A 63 3.571 -8.221 -0.319 1.00 0.00 H new ATOM 514 N ARG A 64 1.540 -5.314 1.607 1.00 0.00 N ATOM 515 CA ARG A 64 1.611 -3.864 1.412 1.00 0.00 C ATOM 516 C ARG A 64 0.273 -3.140 1.264 1.00 0.00 C ATOM 517 O ARG A 64 0.271 -1.986 1.662 1.00 0.00 O ATOM 518 CB ARG A 64 2.645 -3.418 0.384 1.00 0.00 C ATOM 519 CG ARG A 64 4.038 -3.821 0.854 1.00 0.00 C ATOM 520 CD ARG A 64 4.492 -2.910 1.996 1.00 0.00 C ATOM 521 NE ARG A 64 5.697 -3.421 2.674 1.00 0.00 N ATOM 522 CZ ARG A 64 6.491 -2.721 3.484 1.00 0.00 C ATOM 523 NH1 ARG A 64 6.303 -1.440 3.740 1.00 0.00 N ATOM 524 NH2 ARG A 64 7.371 -3.354 4.248 1.00 0.00 N ATOM 0 H ARG A 64 1.421 -5.853 0.749 1.00 0.00 H new ATOM 0 HA ARG A 64 1.983 -3.525 2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.431 -3.872 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.594 -2.338 0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.032 -4.859 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.743 -3.757 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.693 -1.913 1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.684 -2.810 2.721 1.00 0.00 H new ATOM 0 HE ARG A 64 5.945 -4.396 2.509 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.522 -0.943 3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.938 -0.947 4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.438 -4.371 4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.981 -2.824 4.870 1.00 0.00 H new ATOM 525 N LEU A 65 -0.843 -3.838 0.980 1.00 0.00 N ATOM 526 CA LEU A 65 -2.178 -3.238 1.230 1.00 0.00 C ATOM 527 C LEU A 65 -2.249 -2.808 2.692 1.00 0.00 C ATOM 528 O LEU A 65 -2.317 -1.618 2.958 1.00 0.00 O ATOM 529 CB LEU A 65 -3.332 -4.243 1.159 1.00 0.00 C ATOM 530 CG LEU A 65 -4.274 -4.397 -0.028 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.673 -3.075 -0.654 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.726 -5.243 -1.149 1.00 0.00 C ATOM 0 H LEU A 65 -0.857 -4.781 0.592 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.278 -2.453 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.887 -5.225 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.966 -4.036 2.021 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.135 -4.890 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.344 -3.258 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.180 -2.459 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.782 -2.557 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.460 -5.301 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.807 -4.795 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.514 -6.246 -0.778 1.00 0.00 H new ATOM 533 N GLN A 66 -1.801 -3.730 3.540 1.00 0.00 N ATOM 534 CA GLN A 66 -1.937 -3.687 4.998 1.00 0.00 C ATOM 535 C GLN A 66 -0.812 -2.926 5.720 1.00 0.00 C ATOM 536 O GLN A 66 -1.073 -2.210 6.678 1.00 0.00 O ATOM 537 CB GLN A 66 -2.279 -5.088 5.496 1.00 0.00 C ATOM 538 CG GLN A 66 -3.817 -5.242 5.468 1.00 0.00 C ATOM 539 CD GLN A 66 -4.406 -5.685 4.122 1.00 0.00 C ATOM 540 OE1 GLN A 66 -3.908 -6.549 3.433 1.00 0.00 O ATOM 541 NE2 GLN A 66 -5.532 -5.136 3.709 1.00 0.00 N ATOM 0 H GLN A 66 -1.311 -4.565 3.218 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.778 -3.052 5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.809 -5.842 4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.899 -5.236 6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.107 -5.966 6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.266 -4.289 5.747 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.977 -4.406 4.265 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.957 -5.441 2.834 1.00 0.00 H new ATOM 542 N LYS A 67 0.388 -2.959 5.143 1.00 0.00 N ATOM 543 CA LYS A 67 1.462 -2.033 5.570 1.00 0.00 C ATOM 544 C LYS A 67 1.341 -0.583 5.076 1.00 0.00 C ATOM 545 O LYS A 67 1.745 0.329 5.788 1.00 0.00 O ATOM 546 CB LYS A 67 2.849 -2.625 5.273 1.00 0.00 C ATOM 547 CG LYS A 67 3.124 -3.881 6.103 1.00 0.00 C ATOM 548 CD LYS A 67 4.404 -4.577 5.646 1.00 0.00 C ATOM 549 CE LYS A 67 4.581 -5.961 6.279 1.00 0.00 C ATOM 550 NZ LYS A 67 3.578 -6.900 5.769 1.00 0.00 N ATOM 0 H LYS A 67 0.649 -3.599 4.393 1.00 0.00 H new ATOM 0 HA LYS A 67 1.330 -1.943 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.920 -2.868 4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.615 -1.878 5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.209 -3.613 7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.283 -4.568 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.391 -4.677 4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.262 -3.954 5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.581 -6.338 6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.495 -5.884 7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.769 -7.850 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.631 -6.592 6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.622 -6.925 4.730 1.00 0.00 H new ATOM 551 N CYS A 68 0.688 -0.377 3.935 1.00 0.00 N ATOM 552 CA CYS A 68 0.285 0.985 3.537 1.00 0.00 C ATOM 553 C CYS A 68 -1.018 1.426 4.241 1.00 0.00 C ATOM 554 O CYS A 68 -1.157 2.590 4.616 1.00 0.00 O ATOM 555 CB CYS A 68 0.269 1.194 2.017 1.00 0.00 C ATOM 556 SG CYS A 68 -1.112 0.458 1.078 1.00 0.00 S ATOM 0 H CYS A 68 0.428 -1.112 3.277 1.00 0.00 H new ATOM 0 HA CYS A 68 1.064 1.659 3.893 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.272 2.267 1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.200 0.796 1.613 1.00 0.00 H new ATOM 0 HG CYS A 68 -0.962 -0.832 1.025 1.00 0.00 H new ATOM 557 N PHE A 69 -1.892 0.463 4.523 1.00 0.00 N ATOM 558 CA PHE A 69 -3.006 0.555 5.505 1.00 0.00 C ATOM 559 C PHE A 69 -2.644 0.935 6.939 1.00 0.00 C ATOM 560 O PHE A 69 -3.506 1.351 7.706 1.00 0.00 O ATOM 561 CB PHE A 69 -3.826 -0.734 5.585 1.00 0.00 C ATOM 562 CG PHE A 69 -5.019 -0.821 4.641 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.038 0.142 4.818 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.211 -1.935 3.778 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.245 0.020 4.109 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.417 -2.066 3.080 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.381 -1.063 3.207 1.00 0.00 C ATOM 0 H PHE A 69 -1.855 -0.446 4.063 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.575 1.385 5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.164 -1.576 5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.186 -0.850 6.607 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.889 0.969 5.496 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.432 -2.674 3.662 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.046 0.731 4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.599 -2.927 2.454 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.267 -1.116 2.592 1.00 0.00 H new ATOM 568 N GLU A 70 -1.413 0.675 7.329 1.00 0.00 N ATOM 569 CA GLU A 70 -0.833 1.277 8.556 1.00 0.00 C ATOM 570 C GLU A 70 -0.933 2.804 8.591 1.00 0.00 C ATOM 571 O GLU A 70 -0.994 3.422 9.648 1.00 0.00 O ATOM 572 CB GLU A 70 0.620 0.844 8.682 1.00 0.00 C ATOM 573 CG GLU A 70 0.638 -0.654 9.031 1.00 0.00 C ATOM 574 CD GLU A 70 2.027 -1.140 9.440 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.864 -1.331 8.535 1.00 0.00 O ATOM 576 OE2 GLU A 70 2.205 -1.376 10.653 1.00 0.00 O ATOM 0 H GLU A 70 -0.779 0.053 6.827 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.419 0.916 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.154 1.025 7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.125 1.422 9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.064 -0.844 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.294 -1.229 8.171 1.00 0.00 H new ATOM 577 N VAL A 71 -1.050 3.372 7.387 1.00 0.00 N ATOM 578 CA VAL A 71 -1.325 4.802 7.144 1.00 0.00 C ATOM 579 C VAL A 71 -2.700 4.863 6.430 1.00 0.00 C ATOM 580 O VAL A 71 -2.776 5.315 5.282 1.00 0.00 O ATOM 581 CB VAL A 71 -0.149 5.394 6.354 1.00 0.00 C ATOM 582 CG1 VAL A 71 -0.291 6.918 6.224 1.00 0.00 C ATOM 583 CG2 VAL A 71 1.215 5.132 6.998 1.00 0.00 C ATOM 0 H VAL A 71 -0.954 2.837 6.524 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.398 5.408 8.047 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.186 4.898 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.553 7.315 5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.218 7.154 5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.309 7.368 7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.998 5.579 6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.238 5.573 7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.382 4.057 7.073 1.00 0.00 H new ATOM 584 N GLY A 72 -3.652 4.117 7.004 1.00 0.00 N ATOM 585 CA GLY A 72 -5.081 3.903 6.618 1.00 0.00 C ATOM 586 C GLY A 72 -5.644 4.802 5.530 1.00 0.00 C ATOM 587 O GLY A 72 -6.595 5.571 5.684 1.00 0.00 O ATOM 0 H GLY A 72 -3.431 3.583 7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.193 2.868 6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.695 4.026 7.510 1.00 0.00 H new ATOM 588 N MET A 73 -5.206 4.340 4.378 1.00 0.00 N ATOM 589 CA MET A 73 -5.562 4.889 3.063 1.00 0.00 C ATOM 590 C MET A 73 -7.002 4.439 2.814 1.00 0.00 C ATOM 591 O MET A 73 -7.388 3.322 3.186 1.00 0.00 O ATOM 592 CB MET A 73 -4.726 4.193 1.982 1.00 0.00 C ATOM 593 CG MET A 73 -3.510 3.367 2.403 1.00 0.00 C ATOM 594 SD MET A 73 -1.923 3.774 1.569 1.00 0.00 S ATOM 595 CE MET A 73 -2.278 3.535 -0.153 1.00 0.00 C ATOM 0 H MET A 73 -4.570 3.545 4.316 1.00 0.00 H new ATOM 0 HA MET A 73 -5.414 5.969 3.036 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.392 3.536 1.423 1.00 0.00 H new ATOM 0 HB3 MET A 73 -4.379 4.960 1.290 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.372 3.484 3.478 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.732 2.315 2.223 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.366 3.667 -0.734 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.664 2.528 -0.308 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.022 4.263 -0.475 1.00 0.00 H new ATOM 596 N SER A 74 -7.764 5.262 2.121 1.00 0.00 N ATOM 597 CA SER A 74 -9.147 4.874 1.829 1.00 0.00 C ATOM 598 C SER A 74 -9.595 4.536 0.413 1.00 0.00 C ATOM 599 O SER A 74 -10.527 5.062 -0.182 1.00 0.00 O ATOM 600 CB SER A 74 -10.145 5.802 2.558 1.00 0.00 C ATOM 601 OG SER A 74 -10.069 5.554 3.965 1.00 0.00 O ATOM 0 H SER A 74 -7.474 6.170 1.758 1.00 0.00 H new ATOM 0 HA SER A 74 -9.153 3.863 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.912 6.846 2.347 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.158 5.622 2.198 1.00 0.00 H new ATOM 0 HG SER A 74 -10.698 6.140 4.435 1.00 0.00 H new ATOM 602 N LYS A 75 -8.936 3.458 -0.016 1.00 0.00 N ATOM 603 CA LYS A 75 -9.689 2.236 -0.361 1.00 0.00 C ATOM 604 C LYS A 75 -9.594 1.375 0.904 1.00 0.00 C ATOM 605 O LYS A 75 -8.765 0.498 1.054 1.00 0.00 O ATOM 606 CB LYS A 75 -9.195 1.572 -1.648 1.00 0.00 C ATOM 607 CG LYS A 75 -9.228 2.532 -2.848 1.00 0.00 C ATOM 608 CD LYS A 75 -10.557 3.198 -3.210 1.00 0.00 C ATOM 609 CE LYS A 75 -11.511 2.236 -3.916 1.00 0.00 C ATOM 610 NZ LYS A 75 -12.463 2.953 -4.766 1.00 0.00 N ATOM 0 H LYS A 75 -7.924 3.397 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.731 2.431 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.177 1.212 -1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.813 0.701 -1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.501 3.322 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.883 1.982 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.030 3.577 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.368 4.057 -3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.939 1.533 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.053 1.650 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.432 2.767 -4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.271 3.974 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.364 2.628 -5.749 1.00 0.00 H new ATOM 611 N GLU A 76 -10.684 1.463 1.656 1.00 0.00 N ATOM 612 CA GLU A 76 -10.666 1.372 3.112 1.00 0.00 C ATOM 613 C GLU A 76 -11.186 -0.035 3.474 1.00 0.00 C ATOM 614 O GLU A 76 -10.484 -1.023 3.302 1.00 0.00 O ATOM 615 CB GLU A 76 -11.585 2.520 3.520 1.00 0.00 C ATOM 616 CG GLU A 76 -11.565 2.844 5.021 1.00 0.00 C ATOM 617 CD GLU A 76 -12.402 4.081 5.376 1.00 0.00 C ATOM 618 OE1 GLU A 76 -13.480 4.250 4.767 1.00 0.00 O ATOM 619 OE2 GLU A 76 -12.006 4.755 6.357 1.00 0.00 O ATOM 0 H GLU A 76 -11.617 1.601 1.268 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.703 1.470 3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.300 3.413 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.606 2.274 3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.940 1.985 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.535 3.005 5.339 1.00 0.00 H new ATOM 620 N SER A 77 -12.486 -0.142 3.765 1.00 0.00 N ATOM 621 CA SER A 77 -13.203 -1.427 3.662 1.00 0.00 C ATOM 622 C SER A 77 -14.157 -1.215 2.494 1.00 0.00 C ATOM 623 O SER A 77 -15.340 -0.895 2.596 1.00 0.00 O ATOM 624 CB SER A 77 -13.934 -1.748 4.976 1.00 0.00 C ATOM 625 OG SER A 77 -14.239 -3.144 4.972 1.00 0.00 O ATOM 0 H SER A 77 -13.066 0.639 4.073 1.00 0.00 H new ATOM 0 HA SER A 77 -12.547 -2.281 3.494 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.310 -1.495 5.833 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.846 -1.157 5.061 1.00 0.00 H new ATOM 0 HG SER A 77 -15.129 -3.283 4.586 1.00 0.00 H new ATOM 626 N VAL A 78 -13.499 -1.320 1.352 1.00 0.00 N ATOM 627 CA VAL A 78 -13.990 -0.816 0.061 1.00 0.00 C ATOM 628 C VAL A 78 -14.421 -1.914 -0.886 1.00 0.00 C ATOM 629 O VAL A 78 -13.864 -3.007 -0.908 1.00 0.00 O ATOM 630 CB VAL A 78 -12.900 0.133 -0.463 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.102 -0.259 -1.692 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.192 1.625 -0.361 1.00 0.00 C ATOM 0 H VAL A 78 -12.585 -1.768 1.285 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.922 -0.261 0.170 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.170 -0.069 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.379 0.524 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.576 -1.195 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.777 -0.388 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.350 2.189 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.091 1.860 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.345 1.895 0.684 1.00 0.00 H new ATOM 633 N ARG A 79 -15.632 -1.738 -1.396 1.00 0.00 N ATOM 634 CA ARG A 79 -16.596 -0.686 -0.982 1.00 0.00 C ATOM 635 C ARG A 79 -17.788 -1.414 -0.320 1.00 0.00 C ATOM 636 O ARG A 79 -18.851 -1.625 -0.905 1.00 0.00 O ATOM 637 CB ARG A 79 -17.076 0.127 -2.184 1.00 0.00 C ATOM 638 CG ARG A 79 -15.992 0.974 -2.829 1.00 0.00 C ATOM 639 CD ARG A 79 -16.660 1.894 -3.848 1.00 0.00 C ATOM 640 NE ARG A 79 -15.675 2.675 -4.615 1.00 0.00 N ATOM 641 CZ ARG A 79 -15.587 4.002 -4.673 1.00 0.00 C ATOM 642 NH1 ARG A 79 -16.408 4.803 -4.016 1.00 0.00 N ATOM 643 NH2 ARG A 79 -14.725 4.572 -5.508 1.00 0.00 N ATOM 0 H ARG A 79 -15.999 -2.336 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.124 0.014 -0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -17.483 -0.554 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.891 0.778 -1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.465 1.559 -2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.251 0.340 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.263 1.299 -4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.339 2.573 -3.333 1.00 0.00 H new ATOM 0 HE ARG A 79 -14.991 2.146 -5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -17.147 4.409 -3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -16.302 5.815 -4.091 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.132 3.993 -6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.656 5.589 -5.554 1.00 0.00 H new ATOM 644 N ASN A 80 -17.509 -1.895 0.889 1.00 0.00 N ATOM 645 CA ASN A 80 -18.286 -2.998 1.478 1.00 0.00 C ATOM 646 C ASN A 80 -18.915 -2.715 2.865 1.00 0.00 C ATOM 647 O ASN A 80 -19.854 -3.466 3.219 1.00 0.00 O ATOM 648 CB ASN A 80 -17.348 -4.216 1.443 1.00 0.00 C ATOM 649 CG ASN A 80 -16.185 -4.141 2.436 1.00 0.00 C ATOM 650 OD1 ASN A 80 -16.339 -3.797 3.596 1.00 0.00 O ATOM 651 ND2 ASN A 80 -14.975 -4.409 1.966 1.00 0.00 N ATOM 652 OXT ASN A 80 -18.458 -1.754 3.517 1.00 0.00 O ATOM 0 H ASN A 80 -16.756 -1.545 1.482 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.190 -3.171 0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -17.930 -5.114 1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.945 -4.321 0.436 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.162 -4.328 2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -14.857 -4.696 0.994 1.00 0.00 H new