USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=33 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 -94:sc= 1.21 USER MOD Set 1.2: A 80 ASN : amide:sc= 0.784 K(o=2,f=-0.7!) USER MOD Set 2.1: A 44 CYS SG : rot 49:sc= -5.26! USER MOD Set 2.2: A 50 CYS SG : rot 49:sc= -2.47! USER MOD Set 2.3: A 58 ASN : amide:sc= 0.334 K(o=-9.2,f=-12) USER MOD Set 2.4: A 60 CYS SG : rot 122:sc= 0.644! USER MOD Set 2.5: A 61 GLN : amide:sc= 0.363 K(o=-9.2,f=-18!) USER MOD Set 2.6: A 63 CYS SG : rot -172:sc= -2.83! USER MOD Set 3.1: A 53 ASN :FLIP amide:sc= -0.716 F(o=-7.8!,f=-3.9) USER MOD Set 3.2: A 56 THR OG1 : rot -99:sc= -3.14! USER MOD Set 4.1: A 40 MET CE :methyl -136:sc= 0 (180deg=-1.92) USER MOD Set 4.2: A 42 TYR OH : rot 88:sc= 0.00349 USER MOD Set 4.3: A 66 GLN :FLIP amide:sc= -0.502 F(o=-1.5,f=-0.5) USER MOD Set 5.1: A 20 TYR OH : rot 70:sc= -1.52! USER MOD Set 5.2: A 29 LYS NZ :NH3+ 174:sc= -4.16! (180deg=-4.46!) USER MOD Set 5.3: A 37 GLN :FLIP amide:sc= -1.48 F(o=-35!,f=-21) USER MOD Set 5.4: A 38 LYS NZ :NH3+ -145:sc=-0.00975 (180deg=-2.58!) USER MOD Set 5.5: A 75 LYS NZ :NH3+ -118:sc= -14.2! (180deg=-14.2!) USER MOD Set 6.1: A 8 CYS SG : rot -63:sc= -1.3! USER MOD Set 6.2: A 11 CYS SG : rot -39:sc= 0.00719 USER MOD Set 6.3: A 25 CYS SG : rot 125:sc= 0.259 USER MOD Set 6.4: A 28 CYS SG : rot 156:sc= 1 USER MOD Set 6.5: A 68 CYS SG : rot 96:sc= -0.0371 USER MOD Set 7.1: A 18 TYR OH : rot -141:sc= 0.0426 USER MOD Set 7.2: A 23 SER OG : rot 39:sc= 0.999 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0183 (180deg=-0.236) USER MOD Single : A 12 GLN : amide:sc= -0.268! X(o=-0.27!,f=-0.72) USER MOD Single : A 16 SER OG : rot 87:sc= 0.692 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -1.63 F(o=-2.5,f=-1.6) USER MOD Single : A 35 SER OG : rot 110:sc= -0.59 USER MOD Single : A 39 ASN : amide:sc= -0.489 K(o=-0.49,f=-6!) USER MOD Single : A 43 THR OG1 : rot -19:sc= 1.11 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.731 F(o=-1.4,f=-0.73) USER MOD Single : A 48 LYS NZ :NH3+ -139:sc= -3.06! (180deg=-5.76!) USER MOD Single : A 49 ASN : amide:sc= -0.506 K(o=-0.51,f=-3.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.126) USER MOD Single : A 73 MET CE :methyl 169:sc= -1.09 (180deg=-1.14) USER MOD Single : A 74 SER OG : rot 14:sc= 1.37 USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.444 9.531 0.456 1.00 0.00 N ATOM 47 CA LYS A 6 6.292 8.623 0.278 1.00 0.00 C ATOM 48 C LYS A 6 6.103 7.817 -1.016 1.00 0.00 C ATOM 49 O LYS A 6 6.098 6.607 -0.840 1.00 0.00 O ATOM 50 CB LYS A 6 5.043 9.166 0.953 1.00 0.00 C ATOM 51 CG LYS A 6 4.879 10.702 0.937 1.00 0.00 C ATOM 52 CD LYS A 6 5.571 11.448 2.088 1.00 0.00 C ATOM 53 CE LYS A 6 5.457 12.971 1.958 1.00 0.00 C ATOM 54 NZ LYS A 6 6.112 13.472 0.739 1.00 0.00 N ATOM 0 HA LYS A 6 6.618 7.740 0.827 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.172 8.722 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.039 8.831 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.269 11.083 -0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.815 10.938 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.132 11.134 3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.624 11.168 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.405 13.256 1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.906 13.444 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.222 14.504 0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.048 13.029 0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.529 13.237 -0.090 1.00 0.00 H new ATOM 55 N PRO A 7 5.562 8.310 -2.142 1.00 0.00 N ATOM 56 CA PRO A 7 4.368 9.167 -2.317 1.00 0.00 C ATOM 57 C PRO A 7 3.047 8.484 -1.990 1.00 0.00 C ATOM 58 O PRO A 7 1.994 8.938 -2.396 1.00 0.00 O ATOM 59 CB PRO A 7 4.332 9.449 -3.794 1.00 0.00 C ATOM 60 CG PRO A 7 5.182 8.378 -4.466 1.00 0.00 C ATOM 61 CD PRO A 7 6.278 8.258 -3.418 1.00 0.00 C ATOM 0 HA PRO A 7 4.455 10.027 -1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.309 9.422 -4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.723 10.444 -4.008 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.641 7.444 -4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.561 8.690 -5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.832 7.326 -3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.001 9.070 -3.503 1.00 0.00 H new ATOM 62 N CYS A 8 3.117 7.540 -1.075 1.00 0.00 N ATOM 63 CA CYS A 8 2.386 6.283 -1.247 1.00 0.00 C ATOM 64 C CYS A 8 1.421 5.669 -0.218 1.00 0.00 C ATOM 65 O CYS A 8 0.417 5.117 -0.649 1.00 0.00 O ATOM 66 CB CYS A 8 3.449 5.283 -1.601 1.00 0.00 C ATOM 67 SG CYS A 8 2.825 3.605 -1.948 1.00 0.00 S ATOM 0 H CYS A 8 3.661 7.608 -0.215 1.00 0.00 H new ATOM 0 HA CYS A 8 1.621 6.556 -1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.992 5.643 -2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.165 5.228 -0.781 1.00 0.00 H new ATOM 0 HG CYS A 8 2.261 3.122 -0.881 1.00 0.00 H new ATOM 68 N PHE A 9 1.623 5.754 1.088 1.00 0.00 N ATOM 69 CA PHE A 9 2.632 6.549 1.786 1.00 0.00 C ATOM 70 C PHE A 9 4.009 5.886 2.101 1.00 0.00 C ATOM 71 O PHE A 9 4.915 6.491 2.669 1.00 0.00 O ATOM 72 CB PHE A 9 1.951 7.228 2.987 1.00 0.00 C ATOM 73 CG PHE A 9 2.816 8.046 3.927 1.00 0.00 C ATOM 74 CD1 PHE A 9 2.808 9.438 3.714 1.00 0.00 C ATOM 75 CD2 PHE A 9 3.273 7.512 5.154 1.00 0.00 C ATOM 76 CE1 PHE A 9 3.222 10.316 4.713 1.00 0.00 C ATOM 77 CE2 PHE A 9 3.652 8.382 6.199 1.00 0.00 C ATOM 78 CZ PHE A 9 3.592 9.778 5.969 1.00 0.00 C ATOM 0 H PHE A 9 1.042 5.229 1.742 1.00 0.00 H new ATOM 0 HA PHE A 9 2.986 7.294 1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.167 7.880 2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.460 6.453 3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.477 9.830 2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.332 6.442 5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.260 11.380 4.534 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.980 7.992 7.151 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.836 10.453 6.776 1.00 0.00 H new ATOM 79 N VAL A 10 4.252 4.825 1.336 1.00 0.00 N ATOM 80 CA VAL A 10 5.269 3.791 1.604 1.00 0.00 C ATOM 81 C VAL A 10 6.294 3.418 0.490 1.00 0.00 C ATOM 82 O VAL A 10 7.478 3.260 0.764 1.00 0.00 O ATOM 83 CB VAL A 10 4.353 2.667 2.059 1.00 0.00 C ATOM 84 CG1 VAL A 10 4.678 1.213 1.761 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.810 2.839 3.495 1.00 0.00 C ATOM 0 H VAL A 10 3.730 4.648 0.478 1.00 0.00 H new ATOM 0 HA VAL A 10 6.026 4.122 2.315 1.00 0.00 H new ATOM 0 HB VAL A 10 3.567 2.846 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.897 0.574 2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.736 1.067 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.635 0.954 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.165 1.996 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.643 2.878 4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.238 3.765 3.559 1.00 0.00 H new ATOM 86 N CYS A 11 5.818 3.430 -0.745 1.00 0.00 N ATOM 87 CA CYS A 11 6.451 2.911 -1.988 1.00 0.00 C ATOM 88 C CYS A 11 6.565 4.098 -2.976 1.00 0.00 C ATOM 89 O CYS A 11 5.560 4.502 -3.556 1.00 0.00 O ATOM 90 CB CYS A 11 5.509 1.832 -2.557 1.00 0.00 C ATOM 91 SG CYS A 11 5.380 1.659 -4.386 1.00 0.00 S ATOM 0 H CYS A 11 4.902 3.833 -0.940 1.00 0.00 H new ATOM 0 HA CYS A 11 7.439 2.485 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.824 0.870 -2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.509 2.027 -2.170 1.00 0.00 H new ATOM 0 HG CYS A 11 5.394 2.837 -4.935 1.00 0.00 H new ATOM 92 N GLN A 12 7.598 4.918 -3.053 1.00 0.00 N ATOM 93 CA GLN A 12 8.588 5.401 -2.066 1.00 0.00 C ATOM 94 C GLN A 12 9.204 6.705 -2.627 1.00 0.00 C ATOM 95 O GLN A 12 9.555 6.754 -3.793 1.00 0.00 O ATOM 96 CB GLN A 12 9.646 4.417 -1.573 1.00 0.00 C ATOM 97 CG GLN A 12 10.499 4.963 -0.415 1.00 0.00 C ATOM 98 CD GLN A 12 9.867 6.008 0.530 1.00 0.00 C ATOM 99 OE1 GLN A 12 10.421 7.084 0.734 1.00 0.00 O ATOM 100 NE2 GLN A 12 8.690 5.775 1.066 1.00 0.00 N ATOM 0 H GLN A 12 7.806 5.338 -3.959 1.00 0.00 H new ATOM 0 HA GLN A 12 8.036 5.569 -1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.155 3.499 -1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.301 4.153 -2.404 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.817 4.115 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.399 5.404 -0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.222 4.884 0.902 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.244 6.486 1.646 1.00 0.00 H new ATOM 124 N SER A 16 2.453 12.465 -4.426 1.00 0.00 N ATOM 125 CA SER A 16 1.547 12.501 -5.588 1.00 0.00 C ATOM 126 C SER A 16 0.195 13.139 -5.192 1.00 0.00 C ATOM 127 O SER A 16 0.087 13.870 -4.208 1.00 0.00 O ATOM 128 CB SER A 16 1.458 11.041 -6.042 1.00 0.00 C ATOM 129 OG SER A 16 0.721 10.906 -7.257 1.00 0.00 O ATOM 0 HA SER A 16 1.897 13.123 -6.412 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.463 10.642 -6.181 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.984 10.446 -5.261 1.00 0.00 H new ATOM 0 HG SER A 16 1.325 11.020 -8.020 1.00 0.00 H new ATOM 130 N GLY A 17 -0.855 12.690 -5.875 1.00 0.00 N ATOM 131 CA GLY A 17 -2.244 13.177 -5.792 1.00 0.00 C ATOM 132 C GLY A 17 -3.134 12.046 -5.273 1.00 0.00 C ATOM 133 O GLY A 17 -3.159 10.945 -5.830 1.00 0.00 O ATOM 0 H GLY A 17 -0.760 11.928 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.303 14.039 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.587 13.507 -6.772 1.00 0.00 H new ATOM 134 N TYR A 18 -3.827 12.354 -4.184 1.00 0.00 N ATOM 135 CA TYR A 18 -4.594 11.365 -3.410 1.00 0.00 C ATOM 136 C TYR A 18 -5.940 11.827 -2.847 1.00 0.00 C ATOM 137 O TYR A 18 -6.021 12.576 -1.880 1.00 0.00 O ATOM 138 CB TYR A 18 -3.796 10.647 -2.303 1.00 0.00 C ATOM 139 CG TYR A 18 -2.894 11.554 -1.472 1.00 0.00 C ATOM 140 CD1 TYR A 18 -1.818 12.268 -2.045 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.230 11.671 -0.107 1.00 0.00 C ATOM 142 CE1 TYR A 18 -1.084 13.150 -1.245 1.00 0.00 C ATOM 143 CE2 TYR A 18 -2.502 12.540 0.692 1.00 0.00 C ATOM 144 CZ TYR A 18 -1.417 13.258 0.130 1.00 0.00 C ATOM 145 OH TYR A 18 -0.456 13.721 0.972 1.00 0.00 O ATOM 0 H TYR A 18 -3.878 13.299 -3.805 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.819 10.648 -4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.498 10.146 -1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.183 9.871 -2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.566 12.135 -3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.042 11.093 0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.280 13.737 -1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.760 12.668 1.733 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.492 13.223 1.815 1.00 0.00 H new ATOM 146 N HIS A 19 -6.969 11.474 -3.610 1.00 0.00 N ATOM 147 CA HIS A 19 -8.001 10.475 -3.245 1.00 0.00 C ATOM 148 C HIS A 19 -8.349 10.387 -1.745 1.00 0.00 C ATOM 149 O HIS A 19 -9.435 10.795 -1.337 1.00 0.00 O ATOM 150 CB HIS A 19 -7.576 9.099 -3.784 1.00 0.00 C ATOM 151 CG HIS A 19 -7.223 9.136 -5.272 1.00 0.00 C ATOM 152 ND1 HIS A 19 -5.998 9.114 -5.773 1.00 0.00 N flip ATOM 153 CD2 HIS A 19 -8.072 9.360 -6.280 1.00 0.00 C flip ATOM 154 CE1 HIS A 19 -6.085 9.360 -7.084 1.00 0.00 C flip ATOM 155 NE2 HIS A 19 -7.367 9.506 -7.391 1.00 0.00 N flip ATOM 0 H HIS A 19 -7.124 11.881 -4.532 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.925 10.819 -3.710 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.716 8.741 -3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.383 8.384 -3.623 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.148 9.413 -6.202 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.256 9.428 -7.773 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -7.743 9.697 -8.320 1.00 0.00 H new ATOM 156 N TYR A 20 -7.422 9.847 -0.949 1.00 0.00 N ATOM 157 CA TYR A 20 -7.631 9.524 0.476 1.00 0.00 C ATOM 158 C TYR A 20 -6.485 10.100 1.329 1.00 0.00 C ATOM 159 O TYR A 20 -5.335 10.017 0.911 1.00 0.00 O ATOM 160 CB TYR A 20 -7.684 8.005 0.664 1.00 0.00 C ATOM 161 CG TYR A 20 -8.554 7.183 -0.306 1.00 0.00 C ATOM 162 CD1 TYR A 20 -9.879 7.580 -0.596 1.00 0.00 C ATOM 163 CD2 TYR A 20 -7.894 6.212 -1.088 1.00 0.00 C ATOM 164 CE1 TYR A 20 -10.526 7.039 -1.717 1.00 0.00 C ATOM 165 CE2 TYR A 20 -8.547 5.650 -2.189 1.00 0.00 C ATOM 166 CZ TYR A 20 -9.853 6.103 -2.518 1.00 0.00 C ATOM 167 OH TYR A 20 -10.398 5.871 -3.745 1.00 0.00 O ATOM 0 H TYR A 20 -6.485 9.615 -1.278 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.574 9.966 0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.664 7.626 0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -8.035 7.807 1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.387 8.291 0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.890 5.904 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.534 7.340 -1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.067 4.884 -2.780 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.274 6.660 -4.313 1.00 0.00 H new ATOM 168 N GLY A 21 -6.760 10.221 2.621 1.00 0.00 N ATOM 169 CA GLY A 21 -6.002 11.020 3.618 1.00 0.00 C ATOM 170 C GLY A 21 -4.745 10.360 4.210 1.00 0.00 C ATOM 171 O GLY A 21 -4.664 10.050 5.400 1.00 0.00 O ATOM 0 H GLY A 21 -7.558 9.745 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.707 11.959 3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.675 11.270 4.438 1.00 0.00 H new ATOM 172 N VAL A 22 -3.851 10.053 3.289 1.00 0.00 N ATOM 173 CA VAL A 22 -2.478 9.508 3.498 1.00 0.00 C ATOM 174 C VAL A 22 -1.460 10.461 2.850 1.00 0.00 C ATOM 175 O VAL A 22 -1.349 11.628 3.214 1.00 0.00 O ATOM 176 CB VAL A 22 -2.559 8.037 3.015 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.042 7.853 1.583 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.335 7.200 2.891 1.00 0.00 C ATOM 0 H VAL A 22 -4.057 10.178 2.298 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.113 9.465 4.524 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.204 7.730 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.064 6.791 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.044 8.269 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.364 8.367 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.608 6.205 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.649 7.661 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.849 7.119 3.863 1.00 0.00 H new ATOM 179 N SER A 23 -0.506 9.845 2.178 1.00 0.00 N ATOM 180 CA SER A 23 -0.039 10.278 0.855 1.00 0.00 C ATOM 181 C SER A 23 -0.151 9.062 -0.053 1.00 0.00 C ATOM 182 O SER A 23 0.135 7.955 0.411 1.00 0.00 O ATOM 183 CB SER A 23 1.381 10.773 0.829 1.00 0.00 C ATOM 184 OG SER A 23 1.529 11.546 -0.364 1.00 0.00 O ATOM 0 H SER A 23 -0.022 9.020 2.531 1.00 0.00 H new ATOM 0 HA SER A 23 -0.650 11.123 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.595 11.378 1.710 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.081 9.938 0.837 1.00 0.00 H new ATOM 0 HG SER A 23 0.715 12.070 -0.518 1.00 0.00 H new ATOM 185 N ALA A 24 -0.860 9.186 -1.161 1.00 0.00 N ATOM 186 CA ALA A 24 -0.862 8.075 -2.118 1.00 0.00 C ATOM 187 C ALA A 24 -0.339 8.363 -3.510 1.00 0.00 C ATOM 188 O ALA A 24 -0.690 9.329 -4.180 1.00 0.00 O ATOM 189 CB ALA A 24 -2.125 7.184 -2.140 1.00 0.00 C ATOM 0 H ALA A 24 -1.419 9.999 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.087 7.463 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.004 6.400 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.268 6.731 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.995 7.792 -2.389 1.00 0.00 H new ATOM 190 N CYS A 25 0.278 7.275 -3.971 1.00 0.00 N ATOM 191 CA CYS A 25 1.265 7.206 -5.078 1.00 0.00 C ATOM 192 C CYS A 25 0.573 7.159 -6.461 1.00 0.00 C ATOM 193 O CYS A 25 1.203 6.919 -7.480 1.00 0.00 O ATOM 194 CB CYS A 25 1.925 5.855 -4.849 1.00 0.00 C ATOM 195 SG CYS A 25 3.250 5.162 -5.903 1.00 0.00 S ATOM 0 H CYS A 25 0.100 6.356 -3.565 1.00 0.00 H new ATOM 0 HA CYS A 25 1.934 8.067 -5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.327 5.882 -3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.120 5.120 -4.853 1.00 0.00 H new ATOM 0 HG CYS A 25 4.275 4.855 -5.165 1.00 0.00 H new ATOM 196 N GLU A 26 -0.660 7.671 -6.429 1.00 0.00 N ATOM 197 CA GLU A 26 -1.746 7.682 -7.443 1.00 0.00 C ATOM 198 C GLU A 26 -2.039 6.283 -8.027 1.00 0.00 C ATOM 199 O GLU A 26 -3.098 5.722 -7.749 1.00 0.00 O ATOM 200 CB GLU A 26 -1.625 8.826 -8.460 1.00 0.00 C ATOM 201 CG GLU A 26 -0.387 8.821 -9.363 1.00 0.00 C ATOM 202 CD GLU A 26 -0.359 10.048 -10.284 1.00 0.00 C ATOM 203 OE1 GLU A 26 -1.209 10.110 -11.197 1.00 0.00 O ATOM 204 OE2 GLU A 26 0.532 10.897 -10.058 1.00 0.00 O ATOM 0 H GLU A 26 -0.971 8.153 -5.586 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.665 7.932 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.510 8.809 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.643 9.769 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.513 8.805 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.378 7.912 -9.965 1.00 0.00 H new ATOM 205 N GLY A 27 -0.958 5.640 -8.459 1.00 0.00 N ATOM 206 CA GLY A 27 -0.889 4.198 -8.772 1.00 0.00 C ATOM 207 C GLY A 27 -1.228 3.346 -7.541 1.00 0.00 C ATOM 208 O GLY A 27 -1.905 2.330 -7.682 1.00 0.00 O ATOM 0 H GLY A 27 -0.069 6.117 -8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.582 3.965 -9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.111 3.948 -9.127 1.00 0.00 H new ATOM 209 N CYS A 28 -0.877 3.819 -6.336 1.00 0.00 N ATOM 210 CA CYS A 28 -1.243 3.085 -5.113 1.00 0.00 C ATOM 211 C CYS A 28 -2.725 3.068 -4.745 1.00 0.00 C ATOM 212 O CYS A 28 -3.190 2.011 -4.343 1.00 0.00 O ATOM 213 CB CYS A 28 -0.359 3.161 -3.896 1.00 0.00 C ATOM 214 SG CYS A 28 1.091 2.124 -4.287 1.00 0.00 S ATOM 0 H CYS A 28 -0.355 4.682 -6.182 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.996 2.101 -5.513 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.063 4.189 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.877 2.794 -3.010 1.00 0.00 H new ATOM 0 HG CYS A 28 2.107 2.513 -3.575 1.00 0.00 H new ATOM 215 N LYS A 29 -3.441 4.147 -4.994 1.00 0.00 N ATOM 216 CA LYS A 29 -4.922 4.127 -4.970 1.00 0.00 C ATOM 217 C LYS A 29 -5.470 3.071 -5.951 1.00 0.00 C ATOM 218 O LYS A 29 -6.349 2.289 -5.592 1.00 0.00 O ATOM 219 CB LYS A 29 -5.406 5.536 -5.318 1.00 0.00 C ATOM 220 CG LYS A 29 -6.925 5.680 -5.333 1.00 0.00 C ATOM 221 CD LYS A 29 -7.491 5.554 -6.758 1.00 0.00 C ATOM 222 CE LYS A 29 -9.020 5.591 -6.752 1.00 0.00 C ATOM 223 NZ LYS A 29 -9.548 4.420 -6.052 1.00 0.00 N ATOM 0 H LYS A 29 -3.037 5.057 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.290 3.847 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.991 6.241 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.015 5.813 -6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.370 4.916 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.204 6.647 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.108 6.365 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.149 4.621 -7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.368 6.502 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.395 5.613 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.581 4.505 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.315 3.560 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.124 4.361 -5.104 1.00 0.00 H new ATOM 224 N GLY A 30 -4.891 3.022 -7.154 1.00 0.00 N ATOM 225 CA GLY A 30 -5.154 1.990 -8.189 1.00 0.00 C ATOM 226 C GLY A 30 -4.979 0.571 -7.629 1.00 0.00 C ATOM 227 O GLY A 30 -5.956 -0.153 -7.487 1.00 0.00 O ATOM 0 H GLY A 30 -4.205 3.714 -7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.168 2.108 -8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.476 2.136 -9.030 1.00 0.00 H new ATOM 228 N PHE A 31 -3.780 0.308 -7.108 1.00 0.00 N ATOM 229 CA PHE A 31 -3.433 -0.905 -6.350 1.00 0.00 C ATOM 230 C PHE A 31 -4.403 -1.259 -5.198 1.00 0.00 C ATOM 231 O PHE A 31 -4.859 -2.397 -5.084 1.00 0.00 O ATOM 232 CB PHE A 31 -1.991 -0.703 -5.860 1.00 0.00 C ATOM 233 CG PHE A 31 -1.496 -1.554 -4.689 1.00 0.00 C ATOM 234 CD1 PHE A 31 -1.035 -2.875 -4.901 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.743 -1.076 -3.373 1.00 0.00 C ATOM 236 CE1 PHE A 31 -0.861 -3.728 -3.783 1.00 0.00 C ATOM 237 CE2 PHE A 31 -1.608 -1.933 -2.280 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.186 -3.265 -2.488 1.00 0.00 C ATOM 0 H PHE A 31 -2.994 0.952 -7.203 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.523 -1.772 -7.004 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.325 -0.881 -6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.879 0.345 -5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.819 -3.227 -5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.036 -0.048 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.481 -4.730 -3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.825 -1.581 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.111 -3.938 -1.647 1.00 0.00 H new ATOM 239 N PHE A 32 -4.856 -0.199 -4.532 1.00 0.00 N ATOM 240 CA PHE A 32 -5.566 -0.270 -3.242 1.00 0.00 C ATOM 241 C PHE A 32 -6.958 -0.822 -3.544 1.00 0.00 C ATOM 242 O PHE A 32 -7.284 -1.927 -3.111 1.00 0.00 O ATOM 243 CB PHE A 32 -5.500 1.168 -2.720 1.00 0.00 C ATOM 244 CG PHE A 32 -5.234 1.285 -1.245 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.121 0.597 -0.702 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.166 1.940 -0.430 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.016 0.457 0.699 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.083 1.781 0.939 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.043 1.018 1.504 1.00 0.00 C ATOM 0 H PHE A 32 -4.741 0.755 -4.874 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.160 -0.927 -2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.718 1.702 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.442 1.667 -2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.363 0.185 -1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.937 2.559 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.180 -0.061 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.819 2.244 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.026 0.856 2.572 1.00 0.00 H new ATOM 250 N ARG A 33 -7.639 -0.193 -4.501 1.00 0.00 N ATOM 251 CA ARG A 33 -8.872 -0.776 -5.063 1.00 0.00 C ATOM 252 C ARG A 33 -8.703 -2.111 -5.789 1.00 0.00 C ATOM 253 O ARG A 33 -9.537 -3.001 -5.673 1.00 0.00 O ATOM 254 CB ARG A 33 -9.662 0.159 -5.964 1.00 0.00 C ATOM 255 CG ARG A 33 -8.995 0.812 -7.175 1.00 0.00 C ATOM 256 CD ARG A 33 -10.102 1.283 -8.124 1.00 0.00 C ATOM 257 NE ARG A 33 -11.033 2.212 -7.448 1.00 0.00 N ATOM 258 CZ ARG A 33 -11.544 3.339 -7.943 1.00 0.00 C ATOM 259 NH1 ARG A 33 -11.292 3.774 -9.164 1.00 0.00 N ATOM 260 NH2 ARG A 33 -12.250 4.109 -7.121 1.00 0.00 N ATOM 0 H ARG A 33 -7.370 0.705 -4.903 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.439 -0.958 -4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.523 -0.399 -6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.048 0.962 -5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.376 1.653 -6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.338 0.102 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.657 1.776 -8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.654 0.421 -8.498 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.315 1.963 -6.500 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.679 3.239 -9.779 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.711 4.645 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.384 3.829 -6.149 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.658 4.980 -7.462 1.00 0.00 H new ATOM 261 N ARG A 34 -7.606 -2.233 -6.527 1.00 0.00 N ATOM 262 CA ARG A 34 -7.364 -3.444 -7.317 1.00 0.00 C ATOM 263 C ARG A 34 -7.403 -4.725 -6.508 1.00 0.00 C ATOM 264 O ARG A 34 -8.167 -5.625 -6.847 1.00 0.00 O ATOM 265 CB ARG A 34 -6.025 -3.323 -8.090 1.00 0.00 C ATOM 266 CG ARG A 34 -5.636 -4.525 -8.972 1.00 0.00 C ATOM 267 CD ARG A 34 -4.518 -5.377 -8.374 1.00 0.00 C ATOM 268 NE ARG A 34 -5.034 -6.435 -7.474 1.00 0.00 N ATOM 269 CZ ARG A 34 -4.317 -7.165 -6.619 1.00 0.00 C ATOM 270 NH1 ARG A 34 -3.016 -6.998 -6.440 1.00 0.00 N ATOM 271 NH2 ARG A 34 -4.910 -8.150 -5.974 1.00 0.00 N ATOM 0 H ARG A 34 -6.877 -1.523 -6.598 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.191 -3.516 -8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.073 -2.436 -8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.226 -3.156 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.515 -5.150 -9.130 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.323 -4.162 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.945 -5.836 -9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.832 -4.735 -7.820 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.036 -6.623 -7.512 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.516 -6.284 -6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.514 -7.584 -5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.899 -8.342 -6.133 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.380 -8.721 -5.316 1.00 0.00 H new ATOM 272 N SER A 35 -6.785 -4.663 -5.337 1.00 0.00 N ATOM 273 CA SER A 35 -7.059 -5.689 -4.335 1.00 0.00 C ATOM 274 C SER A 35 -8.416 -5.487 -3.674 1.00 0.00 C ATOM 275 O SER A 35 -9.395 -6.076 -4.132 1.00 0.00 O ATOM 276 CB SER A 35 -5.946 -5.786 -3.315 1.00 0.00 C ATOM 277 OG SER A 35 -4.669 -5.980 -3.945 1.00 0.00 O ATOM 0 H SER A 35 -6.116 -3.944 -5.061 1.00 0.00 H new ATOM 0 HA SER A 35 -7.099 -6.645 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.922 -4.877 -2.714 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.146 -6.613 -2.634 1.00 0.00 H new ATOM 0 HG SER A 35 -4.129 -5.168 -3.846 1.00 0.00 H new ATOM 278 N ILE A 36 -8.541 -4.448 -2.863 1.00 0.00 N ATOM 279 CA ILE A 36 -9.635 -4.360 -1.892 1.00 0.00 C ATOM 280 C ILE A 36 -11.036 -4.388 -2.483 1.00 0.00 C ATOM 281 O ILE A 36 -11.812 -5.277 -2.157 1.00 0.00 O ATOM 282 CB ILE A 36 -9.488 -3.171 -0.938 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.136 -3.256 -0.240 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.534 -3.079 0.161 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.736 -1.856 0.167 1.00 0.00 C ATOM 0 H ILE A 36 -7.903 -3.652 -2.853 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.531 -5.285 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.605 -2.293 -1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.198 -3.905 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.389 -3.688 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.337 -2.203 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.525 -2.993 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.492 -3.975 0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.770 -1.886 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.664 -1.226 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.485 -1.446 0.844 1.00 0.00 H new ATOM 286 N GLN A 37 -11.218 -3.551 -3.490 1.00 0.00 N ATOM 287 CA GLN A 37 -12.543 -3.255 -4.020 1.00 0.00 C ATOM 288 C GLN A 37 -13.234 -4.508 -4.611 1.00 0.00 C ATOM 289 O GLN A 37 -14.454 -4.645 -4.578 1.00 0.00 O ATOM 290 CB GLN A 37 -12.359 -2.189 -5.086 1.00 0.00 C ATOM 291 CG GLN A 37 -13.693 -1.547 -5.434 1.00 0.00 C ATOM 292 CD GLN A 37 -13.555 -0.396 -6.439 1.00 0.00 C ATOM 293 OE1 GLN A 37 -12.781 -0.549 -7.481 1.00 0.00 O flip ATOM 294 NE2 GLN A 37 -14.041 0.706 -6.213 1.00 0.00 N flip ATOM 0 H GLN A 37 -10.459 -3.059 -3.962 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.194 -2.909 -3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -11.664 -1.428 -4.731 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -11.918 -2.632 -5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.359 -2.305 -5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.160 -1.173 -4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.647 0.840 -5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.840 1.489 -6.834 1.00 0.00 H new ATOM 295 N LYS A 38 -12.383 -5.312 -5.230 1.00 0.00 N ATOM 296 CA LYS A 38 -12.722 -6.480 -6.059 1.00 0.00 C ATOM 297 C LYS A 38 -12.042 -7.815 -5.697 1.00 0.00 C ATOM 298 O LYS A 38 -12.718 -8.786 -5.356 1.00 0.00 O ATOM 299 CB LYS A 38 -12.486 -6.013 -7.495 1.00 0.00 C ATOM 300 CG LYS A 38 -11.092 -5.408 -7.770 1.00 0.00 C ATOM 301 CD LYS A 38 -11.021 -4.670 -9.104 1.00 0.00 C ATOM 302 CE LYS A 38 -11.737 -3.318 -9.057 1.00 0.00 C ATOM 303 NZ LYS A 38 -10.996 -2.386 -8.188 1.00 0.00 N ATOM 0 H LYS A 38 -11.375 -5.166 -5.169 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.757 -6.772 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.635 -6.860 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.243 -5.270 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.834 -4.720 -6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.347 -6.204 -7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.977 -4.517 -9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.467 -5.288 -9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.818 -2.905 -10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.753 -3.448 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.668 -1.771 -7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.438 -2.926 -7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.359 -1.803 -8.768 1.00 0.00 H new ATOM 304 N ASN A 39 -10.712 -7.836 -5.761 1.00 0.00 N ATOM 305 CA ASN A 39 -9.926 -9.076 -5.731 1.00 0.00 C ATOM 306 C ASN A 39 -8.789 -9.194 -4.676 1.00 0.00 C ATOM 307 O ASN A 39 -7.649 -9.545 -4.978 1.00 0.00 O ATOM 308 CB ASN A 39 -9.493 -9.430 -7.166 1.00 0.00 C ATOM 309 CG ASN A 39 -8.610 -8.399 -7.875 1.00 0.00 C ATOM 310 OD1 ASN A 39 -7.461 -8.154 -7.537 1.00 0.00 O ATOM 311 ND2 ASN A 39 -9.091 -7.874 -8.974 1.00 0.00 N ATOM 0 H ASN A 39 -10.144 -6.992 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.601 -9.839 -5.343 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.958 -10.379 -7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.389 -9.586 -7.767 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.507 -7.263 -9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.049 -8.076 -9.259 1.00 0.00 H new ATOM 312 N MET A 40 -9.158 -9.000 -3.409 1.00 0.00 N ATOM 313 CA MET A 40 -8.256 -9.240 -2.272 1.00 0.00 C ATOM 314 C MET A 40 -8.564 -10.480 -1.460 1.00 0.00 C ATOM 315 O MET A 40 -8.914 -10.507 -0.275 1.00 0.00 O ATOM 316 CB MET A 40 -8.238 -8.031 -1.356 1.00 0.00 C ATOM 317 CG MET A 40 -9.646 -7.629 -0.900 1.00 0.00 C ATOM 318 SD MET A 40 -10.141 -8.032 0.822 1.00 0.00 S ATOM 319 CE MET A 40 -9.464 -6.656 1.710 1.00 0.00 C ATOM 0 H MET A 40 -10.086 -8.674 -3.138 1.00 0.00 H new ATOM 0 HA MET A 40 -7.277 -9.412 -2.719 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.623 -8.248 -0.483 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.772 -7.192 -1.873 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.745 -6.552 -1.033 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.362 -8.101 -1.573 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.975 -7.013 2.616 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.736 -6.141 1.083 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.264 -5.966 1.978 1.00 0.00 H new ATOM 320 N ILE A 41 -8.048 -11.527 -2.067 1.00 0.00 N ATOM 321 CA ILE A 41 -8.169 -12.837 -1.460 1.00 0.00 C ATOM 322 C ILE A 41 -6.743 -13.358 -1.152 1.00 0.00 C ATOM 323 O ILE A 41 -5.991 -13.801 -2.018 1.00 0.00 O ATOM 324 CB ILE A 41 -9.104 -13.703 -2.307 1.00 0.00 C ATOM 325 CG1 ILE A 41 -10.527 -13.223 -2.027 1.00 0.00 C ATOM 326 CG2 ILE A 41 -8.946 -15.222 -2.029 1.00 0.00 C ATOM 327 CD1 ILE A 41 -11.602 -13.743 -3.003 1.00 0.00 C ATOM 0 H ILE A 41 -7.552 -11.502 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.663 -12.839 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.852 -13.590 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.802 -13.524 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.536 -12.133 -2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.636 -15.781 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.923 -15.528 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.167 -15.425 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.576 -13.345 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.361 -13.420 -4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.630 -14.832 -2.966 1.00 0.00 H new ATOM 328 N TYR A 42 -6.348 -12.874 0.017 1.00 0.00 N ATOM 329 CA TYR A 42 -4.949 -12.752 0.463 1.00 0.00 C ATOM 330 C TYR A 42 -4.754 -12.885 1.977 1.00 0.00 C ATOM 331 O TYR A 42 -5.653 -12.643 2.768 1.00 0.00 O ATOM 332 CB TYR A 42 -4.387 -11.384 -0.006 1.00 0.00 C ATOM 333 CG TYR A 42 -5.140 -10.096 0.340 1.00 0.00 C ATOM 334 CD1 TYR A 42 -6.128 -10.023 1.356 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.614 -8.928 -0.249 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.567 -8.763 1.806 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.052 -7.668 0.191 1.00 0.00 C ATOM 338 CZ TYR A 42 -6.016 -7.608 1.221 1.00 0.00 C ATOM 339 OH TYR A 42 -6.252 -6.400 1.800 1.00 0.00 O ATOM 0 H TYR A 42 -7.012 -12.540 0.715 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.410 -13.586 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.379 -11.290 0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.293 -11.425 -1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.540 -10.927 1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.877 -9.002 -1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.312 -8.685 2.584 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.659 -6.763 -0.250 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.567 -6.223 2.478 1.00 0.00 H new ATOM 340 N THR A 43 -3.621 -13.488 2.308 1.00 0.00 N ATOM 341 CA THR A 43 -2.906 -13.241 3.577 1.00 0.00 C ATOM 342 C THR A 43 -1.447 -13.565 3.267 1.00 0.00 C ATOM 343 O THR A 43 -1.108 -14.700 2.952 1.00 0.00 O ATOM 344 CB THR A 43 -3.377 -14.064 4.769 1.00 0.00 C ATOM 345 OG1 THR A 43 -4.804 -14.051 4.871 1.00 0.00 O ATOM 346 CG2 THR A 43 -2.802 -13.421 6.029 1.00 0.00 C ATOM 0 H THR A 43 -3.159 -14.170 1.707 1.00 0.00 H new ATOM 0 HA THR A 43 -3.088 -12.213 3.889 1.00 0.00 H new ATOM 0 HB THR A 43 -3.046 -15.095 4.648 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.161 -13.291 4.366 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.121 -13.987 6.904 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.713 -13.421 5.973 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.161 -12.395 6.110 1.00 0.00 H new ATOM 347 N CYS A 44 -0.628 -12.534 3.418 1.00 0.00 N ATOM 348 CA CYS A 44 0.726 -12.468 2.840 1.00 0.00 C ATOM 349 C CYS A 44 1.621 -13.695 3.157 1.00 0.00 C ATOM 350 O CYS A 44 2.049 -13.845 4.289 1.00 0.00 O ATOM 351 CB CYS A 44 1.417 -11.193 3.289 1.00 0.00 C ATOM 352 SG CYS A 44 2.579 -10.521 2.053 1.00 0.00 S ATOM 0 H CYS A 44 -0.880 -11.702 3.952 1.00 0.00 H new ATOM 0 HA CYS A 44 0.589 -12.473 1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.662 -10.440 3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.957 -11.389 4.215 1.00 0.00 H new ATOM 0 HG CYS A 44 1.996 -10.469 0.892 1.00 0.00 H new ATOM 353 N HIS A 45 2.016 -14.523 2.174 1.00 0.00 N ATOM 354 CA HIS A 45 1.804 -14.455 0.711 1.00 0.00 C ATOM 355 C HIS A 45 1.922 -13.113 -0.039 1.00 0.00 C ATOM 356 O HIS A 45 0.957 -12.542 -0.528 1.00 0.00 O ATOM 357 CB HIS A 45 0.624 -15.405 0.358 1.00 0.00 C ATOM 358 CG HIS A 45 -0.404 -14.947 -0.691 1.00 0.00 C ATOM 359 ND1 HIS A 45 -1.589 -14.412 -0.421 1.00 0.00 N flip ATOM 360 CD2 HIS A 45 -0.321 -15.120 -2.007 1.00 0.00 C flip ATOM 361 CE1 HIS A 45 -2.231 -14.248 -1.572 1.00 0.00 C flip ATOM 362 NE2 HIS A 45 -1.457 -14.682 -2.556 1.00 0.00 N flip ATOM 0 H HIS A 45 2.556 -15.356 2.411 1.00 0.00 H new ATOM 0 HA HIS A 45 2.719 -14.818 0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.050 -16.348 0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.083 -15.617 1.280 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.519 -15.541 -2.539 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -3.220 -13.830 -1.687 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.687 -14.682 -3.550 1.00 0.00 H new ATOM 363 N ARG A 46 3.147 -12.575 -0.062 1.00 0.00 N ATOM 364 CA ARG A 46 4.417 -13.346 -0.051 1.00 0.00 C ATOM 365 C ARG A 46 4.931 -13.583 1.387 1.00 0.00 C ATOM 366 O ARG A 46 4.931 -14.705 1.884 1.00 0.00 O ATOM 367 CB ARG A 46 5.511 -12.655 -0.874 1.00 0.00 C ATOM 368 CG ARG A 46 5.039 -12.179 -2.253 1.00 0.00 C ATOM 369 CD ARG A 46 6.196 -11.856 -3.207 1.00 0.00 C ATOM 370 NE ARG A 46 6.759 -13.104 -3.752 1.00 0.00 N ATOM 371 CZ ARG A 46 8.020 -13.308 -4.142 1.00 0.00 C ATOM 372 NH1 ARG A 46 8.948 -12.362 -4.055 1.00 0.00 N ATOM 373 NH2 ARG A 46 8.339 -14.420 -4.784 1.00 0.00 N ATOM 0 H ARG A 46 3.297 -11.566 -0.090 1.00 0.00 H new ATOM 0 HA ARG A 46 4.191 -14.310 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.888 -11.799 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.345 -13.344 -1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.411 -12.949 -2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.418 -11.292 -2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.843 -11.221 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.969 -11.298 -2.679 1.00 0.00 H new ATOM 0 HE ARG A 46 6.120 -13.894 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.707 -11.444 -3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.902 -12.553 -4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.623 -15.119 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.301 -14.578 -5.083 1.00 0.00 H new ATOM 374 N ASP A 47 5.477 -12.543 2.005 1.00 0.00 N ATOM 375 CA ASP A 47 5.595 -12.390 3.460 1.00 0.00 C ATOM 376 C ASP A 47 5.078 -10.992 3.834 1.00 0.00 C ATOM 377 O ASP A 47 5.242 -10.069 3.053 1.00 0.00 O ATOM 378 CB ASP A 47 7.002 -12.657 4.020 1.00 0.00 C ATOM 379 CG ASP A 47 8.157 -11.846 3.414 1.00 0.00 C ATOM 380 OD1 ASP A 47 7.903 -10.708 2.953 1.00 0.00 O ATOM 381 OD2 ASP A 47 9.286 -12.379 3.419 1.00 0.00 O ATOM 0 H ASP A 47 5.866 -11.751 1.493 1.00 0.00 H new ATOM 0 HA ASP A 47 4.986 -13.163 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.981 -12.468 5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.225 -13.716 3.887 1.00 0.00 H new ATOM 382 N LYS A 48 4.738 -10.758 5.094 1.00 0.00 N ATOM 383 CA LYS A 48 4.080 -9.479 5.464 1.00 0.00 C ATOM 384 C LYS A 48 5.049 -8.315 5.761 1.00 0.00 C ATOM 385 O LYS A 48 4.615 -7.203 6.044 1.00 0.00 O ATOM 386 CB LYS A 48 3.075 -9.687 6.597 1.00 0.00 C ATOM 387 CG LYS A 48 3.640 -10.518 7.746 1.00 0.00 C ATOM 388 CD LYS A 48 2.812 -11.789 7.965 1.00 0.00 C ATOM 389 CE LYS A 48 3.641 -13.047 7.699 1.00 0.00 C ATOM 390 NZ LYS A 48 4.000 -13.182 6.277 1.00 0.00 N ATOM 0 H LYS A 48 4.894 -11.405 5.867 1.00 0.00 H new ATOM 0 HA LYS A 48 3.541 -9.162 4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.759 -8.716 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.186 -10.179 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.674 -10.786 7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.648 -9.923 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.436 -11.809 8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.944 -11.778 7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.549 -13.016 8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.078 -13.925 8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.904 -14.176 5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.366 -12.591 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.983 -12.874 6.136 1.00 0.00 H new ATOM 391 N ASN A 49 6.301 -8.513 5.339 1.00 0.00 N ATOM 392 CA ASN A 49 7.361 -7.485 5.260 1.00 0.00 C ATOM 393 C ASN A 49 7.883 -7.210 3.828 1.00 0.00 C ATOM 394 O ASN A 49 8.885 -6.536 3.619 1.00 0.00 O ATOM 395 CB ASN A 49 8.522 -7.942 6.165 1.00 0.00 C ATOM 396 CG ASN A 49 9.134 -9.265 5.690 1.00 0.00 C ATOM 397 OD1 ASN A 49 8.556 -10.334 5.836 1.00 0.00 O ATOM 398 ND2 ASN A 49 10.188 -9.182 4.921 1.00 0.00 N ATOM 0 H ASN A 49 6.624 -9.429 5.029 1.00 0.00 H new ATOM 0 HA ASN A 49 6.928 -6.541 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.293 -7.172 6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.162 -8.056 7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.534 -10.011 4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.665 -8.288 4.804 1.00 0.00 H new ATOM 399 N CYS A 50 7.212 -7.832 2.858 1.00 0.00 N ATOM 400 CA CYS A 50 7.413 -7.757 1.389 1.00 0.00 C ATOM 401 C CYS A 50 7.483 -6.293 0.952 1.00 0.00 C ATOM 402 O CYS A 50 6.471 -5.597 0.937 1.00 0.00 O ATOM 403 CB CYS A 50 6.180 -8.476 0.841 1.00 0.00 C ATOM 404 SG CYS A 50 5.899 -8.892 -0.911 1.00 0.00 S ATOM 0 H CYS A 50 6.442 -8.460 3.089 1.00 0.00 H new ATOM 0 HA CYS A 50 8.339 -8.208 1.032 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.118 -9.418 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.324 -7.875 1.146 1.00 0.00 H new ATOM 0 HG CYS A 50 6.960 -9.465 -1.397 1.00 0.00 H new ATOM 405 N VAL A 51 8.583 -5.967 0.282 1.00 0.00 N ATOM 406 CA VAL A 51 9.283 -4.697 0.490 1.00 0.00 C ATOM 407 C VAL A 51 8.848 -3.690 -0.546 1.00 0.00 C ATOM 408 O VAL A 51 9.022 -3.899 -1.738 1.00 0.00 O ATOM 409 CB VAL A 51 10.791 -4.814 0.191 1.00 0.00 C ATOM 410 CG1 VAL A 51 11.561 -3.717 0.898 1.00 0.00 C ATOM 411 CG2 VAL A 51 11.384 -6.089 0.752 1.00 0.00 C ATOM 0 H VAL A 51 9.016 -6.570 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 51 9.069 -4.419 1.522 1.00 0.00 H new ATOM 0 HB VAL A 51 10.873 -4.769 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.623 -3.816 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.207 -2.745 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.407 -3.800 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.448 -6.129 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.250 -6.108 1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.882 -6.949 0.309 1.00 0.00 H new ATOM 412 N ILE A 52 8.184 -2.667 -0.049 1.00 0.00 N ATOM 413 CA ILE A 52 8.110 -1.418 -0.802 1.00 0.00 C ATOM 414 C ILE A 52 8.310 -0.148 0.026 1.00 0.00 C ATOM 415 O ILE A 52 7.421 0.323 0.731 1.00 0.00 O ATOM 416 CB ILE A 52 7.086 -1.260 -1.933 1.00 0.00 C ATOM 417 CG1 ILE A 52 5.858 -2.174 -2.000 1.00 0.00 C ATOM 418 CG2 ILE A 52 7.827 -1.266 -3.276 1.00 0.00 C ATOM 419 CD1 ILE A 52 6.133 -3.664 -2.142 1.00 0.00 C ATOM 0 H ILE A 52 7.698 -2.666 0.848 1.00 0.00 H new ATOM 0 HA ILE A 52 9.013 -1.563 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 52 6.614 -0.309 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.267 -2.020 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.242 -1.858 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.109 -1.154 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.537 -0.440 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.362 -2.208 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.188 -4.206 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.691 -3.845 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.717 -4.009 -1.289 1.00 0.00 H new ATOM 420 N ASN A 53 9.610 -0.030 0.257 1.00 0.00 N ATOM 421 CA ASN A 53 10.309 1.166 0.760 1.00 0.00 C ATOM 422 C ASN A 53 11.286 1.610 -0.343 1.00 0.00 C ATOM 423 O ASN A 53 10.863 1.592 -1.499 1.00 0.00 O ATOM 424 CB ASN A 53 10.951 0.828 2.118 1.00 0.00 C ATOM 425 CG ASN A 53 11.855 -0.408 2.133 1.00 0.00 C ATOM 426 OD1 ASN A 53 12.666 -0.621 1.118 1.00 0.00 O flip ATOM 427 ND2 ASN A 53 11.682 -1.288 2.953 1.00 0.00 N flip ATOM 0 H ASN A 53 10.251 -0.806 0.092 1.00 0.00 H new ATOM 0 HA ASN A 53 9.651 2.012 0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.535 1.687 2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.156 0.684 2.850 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.056 -1.133 3.743 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.163 -2.182 2.851 1.00 0.00 H new ATOM 428 N LYS A 54 12.555 1.932 -0.061 1.00 0.00 N ATOM 429 CA LYS A 54 13.501 2.154 -1.183 1.00 0.00 C ATOM 430 C LYS A 54 14.721 1.262 -1.468 1.00 0.00 C ATOM 431 O LYS A 54 15.151 1.191 -2.609 1.00 0.00 O ATOM 432 CB LYS A 54 13.902 3.639 -1.344 1.00 0.00 C ATOM 433 CG LYS A 54 14.593 4.233 -0.118 1.00 0.00 C ATOM 434 CD LYS A 54 15.033 5.656 -0.433 1.00 0.00 C ATOM 435 CE LYS A 54 15.666 6.335 0.772 1.00 0.00 C ATOM 436 NZ LYS A 54 16.152 7.660 0.345 1.00 0.00 N ATOM 0 H LYS A 54 12.943 2.042 0.876 1.00 0.00 H new ATOM 0 HA LYS A 54 12.821 1.776 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.565 3.734 -2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.009 4.224 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.914 4.230 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.455 3.626 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.746 5.641 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.173 6.236 -0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.939 6.437 1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.489 5.734 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.590 8.146 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.855 7.544 -0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.354 8.226 -0.007 1.00 0.00 H new ATOM 437 N VAL A 55 15.039 0.335 -0.550 1.00 0.00 N ATOM 438 CA VAL A 55 15.987 -0.761 -0.836 1.00 0.00 C ATOM 439 C VAL A 55 15.094 -2.011 -0.919 1.00 0.00 C ATOM 440 O VAL A 55 14.643 -2.567 0.087 1.00 0.00 O ATOM 441 CB VAL A 55 16.971 -0.932 0.311 1.00 0.00 C ATOM 442 CG1 VAL A 55 17.941 -2.071 0.050 1.00 0.00 C ATOM 443 CG2 VAL A 55 17.832 0.320 0.561 1.00 0.00 C ATOM 0 H VAL A 55 14.656 0.320 0.395 1.00 0.00 H new ATOM 0 HA VAL A 55 16.568 -0.576 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 55 16.344 -1.132 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.629 -2.163 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 55 17.386 -3.002 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.506 -1.867 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 55 18.513 0.133 1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.408 0.551 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.186 1.163 0.804 1.00 0.00 H new ATOM 444 N THR A 56 14.461 -1.907 -2.066 1.00 0.00 N ATOM 445 CA THR A 56 13.131 -2.485 -2.288 1.00 0.00 C ATOM 446 C THR A 56 12.827 -3.436 -3.462 1.00 0.00 C ATOM 447 O THR A 56 13.441 -3.420 -4.521 1.00 0.00 O ATOM 448 CB THR A 56 12.204 -1.264 -2.246 1.00 0.00 C ATOM 449 OG1 THR A 56 10.990 -1.649 -1.610 1.00 0.00 O ATOM 450 CG2 THR A 56 11.897 -0.573 -3.569 1.00 0.00 C ATOM 0 H THR A 56 14.843 -1.422 -2.878 1.00 0.00 H new ATOM 0 HA THR A 56 12.992 -3.243 -1.517 1.00 0.00 H new ATOM 0 HB THR A 56 12.759 -0.507 -1.692 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.310 -1.839 -2.290 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.232 0.272 -3.392 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.825 -0.217 -4.017 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.415 -1.279 -4.245 1.00 0.00 H new ATOM 451 N ARG A 57 11.570 -3.814 -3.266 1.00 0.00 N ATOM 452 CA ARG A 57 10.573 -4.448 -4.139 1.00 0.00 C ATOM 453 C ARG A 57 10.728 -5.927 -4.458 1.00 0.00 C ATOM 454 O ARG A 57 11.797 -6.532 -4.459 1.00 0.00 O ATOM 455 CB ARG A 57 9.804 -3.540 -5.055 1.00 0.00 C ATOM 456 CG ARG A 57 10.584 -2.867 -6.202 1.00 0.00 C ATOM 457 CD ARG A 57 10.909 -3.844 -7.331 1.00 0.00 C ATOM 458 NE ARG A 57 9.680 -4.298 -8.017 1.00 0.00 N ATOM 459 CZ ARG A 57 9.166 -5.536 -8.020 1.00 0.00 C ATOM 460 NH1 ARG A 57 9.750 -6.546 -7.397 1.00 0.00 N ATOM 461 NH2 ARG A 57 8.106 -5.803 -8.760 1.00 0.00 N ATOM 0 H ARG A 57 11.158 -3.660 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 57 9.752 -4.643 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.989 -4.115 -5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.351 -2.755 -4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.999 -2.037 -6.599 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.510 -2.446 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.574 -3.365 -8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.443 -4.705 -6.928 1.00 0.00 H new ATOM 0 HE ARG A 57 9.168 -3.592 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.623 -6.397 -6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.327 -7.474 -7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.681 -5.069 -9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.712 -6.744 -8.765 1.00 0.00 H new ATOM 462 N ASN A 58 9.531 -6.454 -4.260 1.00 0.00 N ATOM 463 CA ASN A 58 9.280 -7.833 -3.880 1.00 0.00 C ATOM 464 C ASN A 58 8.198 -8.455 -4.784 1.00 0.00 C ATOM 465 O ASN A 58 8.507 -9.426 -5.462 1.00 0.00 O ATOM 466 CB ASN A 58 8.987 -7.735 -2.378 1.00 0.00 C ATOM 467 CG ASN A 58 9.437 -8.977 -1.605 1.00 0.00 C ATOM 468 OD1 ASN A 58 8.720 -9.938 -1.391 1.00 0.00 O ATOM 469 ND2 ASN A 58 10.663 -8.950 -1.129 1.00 0.00 N ATOM 0 H ASN A 58 8.674 -5.911 -4.364 1.00 0.00 H new ATOM 0 HA ASN A 58 10.104 -8.531 -4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.489 -6.857 -1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.917 -7.588 -2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.014 -9.735 -0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.262 -8.145 -1.309 1.00 0.00 H new ATOM 470 N ARG A 59 6.979 -7.933 -4.973 1.00 0.00 N ATOM 471 CA ARG A 59 6.117 -6.968 -4.258 1.00 0.00 C ATOM 472 C ARG A 59 4.762 -7.704 -4.207 1.00 0.00 C ATOM 473 O ARG A 59 4.446 -8.500 -5.094 1.00 0.00 O ATOM 474 CB ARG A 59 6.036 -5.683 -5.054 1.00 0.00 C ATOM 475 CG ARG A 59 5.571 -5.779 -6.516 1.00 0.00 C ATOM 476 CD ARG A 59 5.278 -4.401 -7.120 1.00 0.00 C ATOM 477 NE ARG A 59 6.456 -3.517 -7.089 1.00 0.00 N ATOM 478 CZ ARG A 59 6.454 -2.237 -6.713 1.00 0.00 C ATOM 479 NH1 ARG A 59 5.368 -1.617 -6.271 1.00 0.00 N ATOM 480 NH2 ARG A 59 7.554 -1.505 -6.839 1.00 0.00 N ATOM 0 H ARG A 59 6.473 -8.244 -5.802 1.00 0.00 H new ATOM 0 HA ARG A 59 6.471 -6.683 -3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.361 -5.006 -4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.023 -5.220 -5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.338 -6.278 -7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.674 -6.396 -6.571 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.944 -4.522 -8.150 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.460 -3.933 -6.572 1.00 0.00 H new ATOM 0 HE ARG A 59 7.348 -3.917 -7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.484 -2.121 -6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.417 -0.636 -5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.402 -1.921 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.551 -0.526 -6.551 1.00 0.00 H new ATOM 481 N CYS A 60 3.934 -7.393 -3.226 1.00 0.00 N ATOM 482 CA CYS A 60 2.638 -8.091 -3.067 1.00 0.00 C ATOM 483 C CYS A 60 1.521 -7.145 -2.638 1.00 0.00 C ATOM 484 O CYS A 60 1.753 -6.019 -2.206 1.00 0.00 O ATOM 485 CB CYS A 60 2.811 -9.226 -2.052 1.00 0.00 C ATOM 486 SG CYS A 60 1.432 -9.750 -1.000 1.00 0.00 S ATOM 0 H CYS A 60 4.118 -6.673 -2.527 1.00 0.00 H new ATOM 0 HA CYS A 60 2.342 -8.497 -4.034 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.142 -10.104 -2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.628 -8.941 -1.390 1.00 0.00 H new ATOM 0 HG CYS A 60 1.195 -11.013 -1.193 1.00 0.00 H new ATOM 487 N GLN A 61 0.312 -7.687 -2.734 1.00 0.00 N ATOM 488 CA GLN A 61 -0.879 -7.099 -2.133 1.00 0.00 C ATOM 489 C GLN A 61 -0.872 -6.820 -0.627 1.00 0.00 C ATOM 490 O GLN A 61 -0.329 -5.794 -0.210 1.00 0.00 O ATOM 491 CB GLN A 61 -2.202 -7.784 -2.553 1.00 0.00 C ATOM 492 CG GLN A 61 -2.135 -9.206 -3.159 1.00 0.00 C ATOM 493 CD GLN A 61 -1.589 -10.289 -2.217 1.00 0.00 C ATOM 494 OE1 GLN A 61 -1.656 -10.223 -0.996 1.00 0.00 O ATOM 495 NE2 GLN A 61 -1.008 -11.332 -2.764 1.00 0.00 N ATOM 0 H GLN A 61 0.130 -8.556 -3.236 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.829 -6.107 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.846 -7.827 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.695 -7.137 -3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.136 -9.495 -3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.511 -9.175 -4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.942 -11.405 -3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.622 -12.069 -2.174 1.00 0.00 H new ATOM 496 N TYR A 62 -1.266 -7.793 0.177 1.00 0.00 N ATOM 497 CA TYR A 62 -1.584 -7.592 1.602 1.00 0.00 C ATOM 498 C TYR A 62 -0.527 -6.859 2.408 1.00 0.00 C ATOM 499 O TYR A 62 -0.806 -5.741 2.803 1.00 0.00 O ATOM 500 CB TYR A 62 -1.920 -8.984 2.193 1.00 0.00 C ATOM 501 CG TYR A 62 -2.298 -9.008 3.677 1.00 0.00 C ATOM 502 CD1 TYR A 62 -1.293 -9.206 4.645 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.664 -9.075 4.011 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.664 -9.514 5.967 1.00 0.00 C ATOM 505 CE2 TYR A 62 -4.047 -9.376 5.331 1.00 0.00 C ATOM 506 CZ TYR A 62 -3.032 -9.603 6.291 1.00 0.00 C ATOM 507 OH TYR A 62 -3.377 -10.078 7.510 1.00 0.00 O ATOM 0 H TYR A 62 -1.379 -8.758 -0.133 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.436 -6.915 1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.744 -9.411 1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.059 -9.637 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.251 -9.122 4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.416 -8.896 3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.910 -9.680 6.723 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.090 -9.432 5.605 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.353 -10.082 7.595 1.00 0.00 H new ATOM 508 N CYS A 63 0.718 -7.243 2.203 1.00 0.00 N ATOM 509 CA CYS A 63 1.870 -6.625 2.894 1.00 0.00 C ATOM 510 C CYS A 63 1.901 -5.092 2.844 1.00 0.00 C ATOM 511 O CYS A 63 1.818 -4.424 3.873 1.00 0.00 O ATOM 512 CB CYS A 63 3.139 -7.162 2.212 1.00 0.00 C ATOM 513 SG CYS A 63 3.168 -6.861 0.410 1.00 0.00 S ATOM 0 H CYS A 63 0.976 -7.989 1.557 1.00 0.00 H new ATOM 0 HA CYS A 63 1.796 -6.885 3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.013 -6.695 2.666 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.217 -8.233 2.396 1.00 0.00 H new ATOM 0 HG CYS A 63 4.176 -7.489 -0.119 1.00 0.00 H new ATOM 514 N ARG A 64 1.745 -4.577 1.627 1.00 0.00 N ATOM 515 CA ARG A 64 1.810 -3.133 1.372 1.00 0.00 C ATOM 516 C ARG A 64 0.457 -2.488 1.000 1.00 0.00 C ATOM 517 O ARG A 64 0.371 -1.262 1.003 1.00 0.00 O ATOM 518 CB ARG A 64 2.942 -2.819 0.394 1.00 0.00 C ATOM 519 CG ARG A 64 4.324 -3.200 0.943 1.00 0.00 C ATOM 520 CD ARG A 64 4.739 -2.420 2.188 1.00 0.00 C ATOM 521 NE ARG A 64 6.172 -2.067 2.177 1.00 0.00 N ATOM 522 CZ ARG A 64 7.174 -2.725 2.765 1.00 0.00 C ATOM 523 NH1 ARG A 64 6.989 -3.862 3.429 1.00 0.00 N ATOM 524 NH2 ARG A 64 8.364 -2.157 2.867 1.00 0.00 N ATOM 0 H ARG A 64 1.571 -5.139 0.794 1.00 0.00 H new ATOM 0 HA ARG A 64 2.051 -2.650 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.767 -3.352 -0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.930 -1.754 0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.329 -4.265 1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.069 -3.041 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.144 -1.510 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.520 -3.014 3.076 1.00 0.00 H new ATOM 0 HE ARG A 64 6.426 -1.224 1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.054 -4.263 3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.782 -4.333 3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.515 -1.218 2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.131 -2.657 3.316 1.00 0.00 H new ATOM 525 N LEU A 65 -0.622 -3.288 0.970 1.00 0.00 N ATOM 526 CA LEU A 65 -1.958 -2.775 1.321 1.00 0.00 C ATOM 527 C LEU A 65 -1.890 -2.271 2.759 1.00 0.00 C ATOM 528 O LEU A 65 -1.887 -1.066 2.956 1.00 0.00 O ATOM 529 CB LEU A 65 -3.061 -3.852 1.356 1.00 0.00 C ATOM 530 CG LEU A 65 -4.060 -4.032 0.238 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.543 -2.702 -0.340 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.526 -4.828 -0.929 1.00 0.00 C ATOM 0 H LEU A 65 -0.599 -4.274 0.712 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.203 -2.030 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.556 -4.810 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.638 -3.677 2.264 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.877 -4.572 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.259 -2.891 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.022 -2.117 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.693 -2.148 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.298 -4.916 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.657 -4.321 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.236 -5.822 -0.589 1.00 0.00 H new ATOM 533 N GLN A 66 -1.342 -3.152 3.584 1.00 0.00 N ATOM 534 CA GLN A 66 -1.404 -3.098 5.048 1.00 0.00 C ATOM 535 C GLN A 66 -0.380 -2.134 5.682 1.00 0.00 C ATOM 536 O GLN A 66 -0.709 -1.425 6.627 1.00 0.00 O ATOM 537 CB GLN A 66 -1.400 -4.532 5.575 1.00 0.00 C ATOM 538 CG GLN A 66 -2.652 -5.324 5.117 1.00 0.00 C ATOM 539 CD GLN A 66 -4.012 -4.620 5.157 1.00 0.00 C ATOM 540 OE1 GLN A 66 -4.771 -4.741 4.080 1.00 0.00 O flip ATOM 541 NE2 GLN A 66 -4.444 -4.035 6.142 1.00 0.00 N flip ATOM 0 H GLN A 66 -0.819 -3.959 3.243 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.338 -2.636 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.502 -5.043 5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.359 -4.518 6.664 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.479 -5.656 4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.723 -6.220 5.734 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.862 -3.939 6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.386 -3.643 6.130 1.00 0.00 H new ATOM 542 N LYS A 67 0.812 -2.058 5.103 1.00 0.00 N ATOM 543 CA LYS A 67 1.732 -0.950 5.426 1.00 0.00 C ATOM 544 C LYS A 67 1.364 0.440 4.882 1.00 0.00 C ATOM 545 O LYS A 67 1.472 1.411 5.615 1.00 0.00 O ATOM 546 CB LYS A 67 3.201 -1.288 5.168 1.00 0.00 C ATOM 547 CG LYS A 67 3.726 -2.276 6.206 1.00 0.00 C ATOM 548 CD LYS A 67 5.248 -2.417 6.101 1.00 0.00 C ATOM 549 CE LYS A 67 5.828 -3.332 7.185 1.00 0.00 C ATOM 550 NZ LYS A 67 5.682 -2.715 8.520 1.00 0.00 N ATOM 0 H LYS A 67 1.168 -2.728 4.422 1.00 0.00 H new ATOM 0 HA LYS A 67 1.590 -0.852 6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.310 -1.712 4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.798 -0.376 5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.456 -1.938 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.255 -3.248 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.506 -2.813 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.707 -1.431 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.318 -4.295 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.881 -3.524 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.253 -3.243 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.008 -1.728 8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.682 -2.740 8.806 1.00 0.00 H new ATOM 551 N CYS A 68 0.802 0.510 3.674 1.00 0.00 N ATOM 552 CA CYS A 68 0.159 1.765 3.219 1.00 0.00 C ATOM 553 C CYS A 68 -1.065 2.130 4.084 1.00 0.00 C ATOM 554 O CYS A 68 -1.198 3.267 4.527 1.00 0.00 O ATOM 555 CB CYS A 68 -0.186 1.737 1.720 1.00 0.00 C ATOM 556 SG CYS A 68 1.248 1.799 0.598 1.00 0.00 S ATOM 0 H CYS A 68 0.773 -0.258 3.003 1.00 0.00 H new ATOM 0 HA CYS A 68 0.895 2.558 3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.753 0.830 1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -0.839 2.581 1.497 1.00 0.00 H new ATOM 0 HG CYS A 68 1.568 0.592 0.236 1.00 0.00 H new ATOM 557 N PHE A 69 -1.844 1.107 4.443 1.00 0.00 N ATOM 558 CA PHE A 69 -2.910 1.123 5.471 1.00 0.00 C ATOM 559 C PHE A 69 -2.574 1.596 6.885 1.00 0.00 C ATOM 560 O PHE A 69 -3.461 2.017 7.622 1.00 0.00 O ATOM 561 CB PHE A 69 -3.584 -0.239 5.632 1.00 0.00 C ATOM 562 CG PHE A 69 -4.806 -0.442 4.737 1.00 0.00 C ATOM 563 CD1 PHE A 69 -5.895 0.427 4.980 1.00 0.00 C ATOM 564 CD2 PHE A 69 -4.934 -1.556 3.864 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.119 0.208 4.318 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.156 -1.793 3.233 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.200 -0.882 3.420 1.00 0.00 C ATOM 0 H PHE A 69 -1.750 0.190 4.005 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.554 1.888 5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.855 -1.020 5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.885 -0.362 6.672 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.789 1.253 5.668 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.094 -2.213 3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.969 0.852 4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.293 -2.665 2.611 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.109 -1.017 2.853 1.00 0.00 H new ATOM 568 N GLU A 70 -1.329 1.393 7.300 1.00 0.00 N ATOM 569 CA GLU A 70 -0.798 2.020 8.534 1.00 0.00 C ATOM 570 C GLU A 70 -1.052 3.543 8.587 1.00 0.00 C ATOM 571 O GLU A 70 -1.199 4.131 9.660 1.00 0.00 O ATOM 572 CB GLU A 70 0.692 1.737 8.640 1.00 0.00 C ATOM 573 CG GLU A 70 0.878 0.251 8.951 1.00 0.00 C ATOM 574 CD GLU A 70 2.339 -0.172 9.149 1.00 0.00 C ATOM 575 OE1 GLU A 70 3.208 0.304 8.393 1.00 0.00 O ATOM 576 OE2 GLU A 70 2.562 -1.049 10.012 1.00 0.00 O ATOM 0 H GLU A 70 -0.658 0.802 6.810 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.329 1.583 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.195 1.996 7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.140 2.348 9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.315 0.007 9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.449 -0.335 8.139 1.00 0.00 H new ATOM 577 N VAL A 71 -1.166 4.115 7.394 1.00 0.00 N ATOM 578 CA VAL A 71 -1.554 5.511 7.160 1.00 0.00 C ATOM 579 C VAL A 71 -2.858 5.443 6.321 1.00 0.00 C ATOM 580 O VAL A 71 -2.809 5.560 5.103 1.00 0.00 O ATOM 581 CB VAL A 71 -0.390 6.210 6.438 1.00 0.00 C ATOM 582 CG1 VAL A 71 -0.650 7.718 6.319 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.944 6.069 7.165 1.00 0.00 C ATOM 0 H VAL A 71 -0.986 3.606 6.529 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.747 6.086 8.066 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.332 5.722 5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.186 8.192 5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.566 7.886 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.755 8.149 7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.722 6.585 6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.865 6.508 8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.200 5.013 7.254 1.00 0.00 H new ATOM 584 N GLY A 72 -3.843 4.783 6.945 1.00 0.00 N ATOM 585 CA GLY A 72 -5.224 4.486 6.476 1.00 0.00 C ATOM 586 C GLY A 72 -5.806 5.379 5.383 1.00 0.00 C ATOM 587 O GLY A 72 -6.663 6.243 5.556 1.00 0.00 O ATOM 0 H GLY A 72 -3.690 4.404 7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.242 3.458 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.889 4.533 7.338 1.00 0.00 H new ATOM 588 N MET A 73 -5.315 5.000 4.228 1.00 0.00 N ATOM 589 CA MET A 73 -5.803 5.379 2.890 1.00 0.00 C ATOM 590 C MET A 73 -7.153 4.646 2.812 1.00 0.00 C ATOM 591 O MET A 73 -7.270 3.492 3.233 1.00 0.00 O ATOM 592 CB MET A 73 -4.956 4.658 1.824 1.00 0.00 C ATOM 593 CG MET A 73 -3.666 3.955 2.259 1.00 0.00 C ATOM 594 SD MET A 73 -2.142 4.463 1.368 1.00 0.00 S ATOM 595 CE MET A 73 -2.559 4.113 -0.322 1.00 0.00 C ATOM 0 H MET A 73 -4.509 4.376 4.176 1.00 0.00 H new ATOM 0 HA MET A 73 -5.806 6.459 2.742 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.592 3.914 1.345 1.00 0.00 H new ATOM 0 HB3 MET A 73 -4.692 5.390 1.061 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.518 4.133 3.324 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.799 2.881 2.131 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.809 4.551 -0.980 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.589 3.034 -0.473 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.536 4.539 -0.551 1.00 0.00 H new ATOM 596 N SER A 74 -8.138 5.265 2.187 1.00 0.00 N ATOM 597 CA SER A 74 -9.439 4.597 2.063 1.00 0.00 C ATOM 598 C SER A 74 -9.935 4.180 0.676 1.00 0.00 C ATOM 599 O SER A 74 -10.965 4.603 0.162 1.00 0.00 O ATOM 600 CB SER A 74 -10.491 5.401 2.847 1.00 0.00 C ATOM 601 OG SER A 74 -10.602 6.701 2.260 1.00 0.00 O ATOM 0 H SER A 74 -8.078 6.193 1.769 1.00 0.00 H new ATOM 0 HA SER A 74 -9.270 3.612 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.454 4.891 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.201 5.482 3.895 1.00 0.00 H new ATOM 0 HG SER A 74 -10.161 6.703 1.385 1.00 0.00 H new ATOM 602 N LYS A 75 -9.183 3.198 0.210 1.00 0.00 N ATOM 603 CA LYS A 75 -9.818 1.943 -0.222 1.00 0.00 C ATOM 604 C LYS A 75 -9.692 1.062 1.011 1.00 0.00 C ATOM 605 O LYS A 75 -8.621 0.622 1.400 1.00 0.00 O ATOM 606 CB LYS A 75 -9.226 1.335 -1.498 1.00 0.00 C ATOM 607 CG LYS A 75 -9.291 2.280 -2.715 1.00 0.00 C ATOM 608 CD LYS A 75 -10.662 2.855 -3.097 1.00 0.00 C ATOM 609 CE LYS A 75 -11.590 1.876 -3.789 1.00 0.00 C ATOM 610 NZ LYS A 75 -12.422 2.536 -4.808 1.00 0.00 N ATOM 0 H LYS A 75 -8.168 3.230 0.119 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.853 2.084 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.187 1.063 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.759 0.414 -1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.617 3.116 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.900 1.742 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.151 3.222 -2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.511 3.715 -3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.002 1.086 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.232 1.399 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.425 2.443 -4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.170 3.544 -4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.259 2.088 -5.732 1.00 0.00 H new ATOM 611 N GLU A 76 -10.813 0.952 1.702 1.00 0.00 N ATOM 612 CA GLU A 76 -10.859 0.800 3.154 1.00 0.00 C ATOM 613 C GLU A 76 -11.269 -0.669 3.434 1.00 0.00 C ATOM 614 O GLU A 76 -10.473 -1.578 3.194 1.00 0.00 O ATOM 615 CB GLU A 76 -11.910 1.831 3.589 1.00 0.00 C ATOM 616 CG GLU A 76 -11.907 2.089 5.105 1.00 0.00 C ATOM 617 CD GLU A 76 -13.064 3.009 5.489 1.00 0.00 C ATOM 618 OE1 GLU A 76 -12.860 4.240 5.450 1.00 0.00 O ATOM 619 OE2 GLU A 76 -14.149 2.438 5.754 1.00 0.00 O ATOM 0 H GLU A 76 -11.735 0.966 1.267 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.927 0.974 3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.728 2.770 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.898 1.484 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.991 1.144 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.960 2.541 5.402 1.00 0.00 H new ATOM 620 N SER A 77 -12.537 -0.895 3.745 1.00 0.00 N ATOM 621 CA SER A 77 -13.207 -2.189 3.521 1.00 0.00 C ATOM 622 C SER A 77 -14.190 -1.900 2.392 1.00 0.00 C ATOM 623 O SER A 77 -15.352 -1.515 2.538 1.00 0.00 O ATOM 624 CB SER A 77 -13.926 -2.697 4.772 1.00 0.00 C ATOM 625 OG SER A 77 -14.366 -4.035 4.520 1.00 0.00 O ATOM 0 H SER A 77 -13.142 -0.188 4.163 1.00 0.00 H new ATOM 0 HA SER A 77 -12.497 -2.979 3.275 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.257 -2.672 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.775 -2.056 5.010 1.00 0.00 H new ATOM 0 HG SER A 77 -15.292 -4.020 4.200 1.00 0.00 H new ATOM 626 N VAL A 78 -13.550 -1.926 1.237 1.00 0.00 N ATOM 627 CA VAL A 78 -14.032 -1.339 -0.015 1.00 0.00 C ATOM 628 C VAL A 78 -14.399 -2.374 -1.064 1.00 0.00 C ATOM 629 O VAL A 78 -13.864 -3.477 -1.081 1.00 0.00 O ATOM 630 CB VAL A 78 -12.960 -0.320 -0.426 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.069 -0.615 -1.610 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.298 1.153 -0.242 1.00 0.00 C ATOM 0 H VAL A 78 -12.640 -2.375 1.134 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.988 -0.830 0.111 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.275 -0.545 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.373 0.211 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.510 -1.532 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.680 -0.736 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.457 1.763 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.179 1.401 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.501 1.351 0.810 1.00 0.00 H new ATOM 633 N ARG A 79 -15.546 -2.133 -1.679 1.00 0.00 N ATOM 634 CA ARG A 79 -16.539 -1.098 -1.297 1.00 0.00 C ATOM 635 C ARG A 79 -17.787 -1.827 -0.756 1.00 0.00 C ATOM 636 O ARG A 79 -18.806 -1.991 -1.423 1.00 0.00 O ATOM 637 CB ARG A 79 -16.916 -0.210 -2.494 1.00 0.00 C ATOM 638 CG ARG A 79 -15.801 0.726 -2.937 1.00 0.00 C ATOM 639 CD ARG A 79 -16.419 1.811 -3.828 1.00 0.00 C ATOM 640 NE ARG A 79 -15.428 2.728 -4.418 1.00 0.00 N ATOM 641 CZ ARG A 79 -14.852 3.786 -3.837 1.00 0.00 C ATOM 642 NH1 ARG A 79 -15.052 4.107 -2.571 1.00 0.00 N ATOM 643 NH2 ARG A 79 -14.188 4.660 -4.591 1.00 0.00 N ATOM 0 H ARG A 79 -15.839 -2.668 -2.496 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.113 -0.442 -0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -17.198 -0.847 -3.332 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.793 0.382 -2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.314 1.175 -2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.035 0.175 -3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.982 1.333 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.131 2.390 -3.240 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.149 2.534 -5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -15.669 3.537 -1.992 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.590 4.924 -2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.123 4.518 -5.599 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.744 5.471 -4.161 1.00 0.00 H new ATOM 644 N ASN A 80 -17.598 -2.342 0.455 1.00 0.00 N ATOM 645 CA ASN A 80 -18.428 -3.456 0.951 1.00 0.00 C ATOM 646 C ASN A 80 -19.148 -3.222 2.291 1.00 0.00 C ATOM 647 O ASN A 80 -18.758 -2.258 2.992 1.00 0.00 O ATOM 648 CB ASN A 80 -17.500 -4.687 0.930 1.00 0.00 C ATOM 649 CG ASN A 80 -16.379 -4.662 1.988 1.00 0.00 C ATOM 650 OD1 ASN A 80 -16.571 -4.284 3.132 1.00 0.00 O ATOM 651 ND2 ASN A 80 -15.171 -4.989 1.583 1.00 0.00 N ATOM 652 OXT ASN A 80 -20.123 -3.968 2.556 1.00 0.00 O ATOM 0 H ASN A 80 -16.888 -2.017 1.111 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.294 -3.591 0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -18.103 -5.583 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.047 -4.768 -0.058 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.383 -4.928 2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.022 -5.304 0.624 1.00 0.00 H new