USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 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 NoAdj-H: A 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot -121:sc= 0.0157 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0.00736 USER MOD Single : A 8 GLN : amide:sc= -0.681 K(o=-0.68,f=-1.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -160:sc= -0.0164 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -11.5! C(o=-12!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.55! C(o=-4.6!,f=-5.2!) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 76:sc= 0.516 USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00539) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 59 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.53) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -14.178 17.212 0.833 1.00 9.58 N ATOM 2 CA GLU A 4 -14.085 15.798 0.362 1.00 9.09 C ATOM 3 C GLU A 4 -12.652 15.498 -0.097 1.00 8.06 C ATOM 4 O GLU A 4 -11.981 16.343 -0.661 1.00 8.10 O ATOM 5 CB GLU A 4 -15.050 15.580 -0.809 1.00 9.77 C ATOM 6 CG GLU A 4 -16.366 14.996 -0.286 1.00 10.24 C ATOM 7 CD GLU A 4 -17.121 14.321 -1.435 1.00 11.04 C ATOM 8 OE1 GLU A 4 -16.809 13.180 -1.735 1.00 11.49 O ATOM 9 OE2 GLU A 4 -18.001 14.957 -1.994 1.00 11.36 O ATOM 0 HA GLU A 4 -14.350 15.130 1.182 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -15.237 16.524 -1.320 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -14.605 14.904 -1.540 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -16.166 14.273 0.505 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -16.978 15.785 0.151 1.00 10.24 H new ATOM 16 N LEU A 5 -12.181 14.295 0.140 1.00 7.36 N ATOM 17 CA LEU A 5 -10.793 13.928 -0.280 1.00 6.53 C ATOM 18 C LEU A 5 -10.851 13.060 -1.541 1.00 6.17 C ATOM 19 O LEU A 5 -11.868 12.461 -1.846 1.00 6.61 O ATOM 20 CB LEU A 5 -10.106 13.143 0.844 1.00 6.34 C ATOM 21 CG LEU A 5 -9.901 14.051 2.062 1.00 7.26 C ATOM 22 CD1 LEU A 5 -11.055 13.854 3.051 1.00 7.60 C ATOM 23 CD2 LEU A 5 -8.579 13.692 2.744 1.00 7.86 C ATOM 0 H LEU A 5 -12.700 13.552 0.607 1.00 7.36 H new ATOM 0 HA LEU A 5 -10.228 14.837 -0.488 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -10.712 12.280 1.120 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -9.146 12.761 0.498 1.00 6.34 H new ATOM 0 HG LEU A 5 -9.876 15.092 1.739 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -10.907 14.500 3.916 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -11.997 14.107 2.566 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -11.082 12.814 3.376 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -8.430 14.336 3.611 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -8.607 12.651 3.066 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -7.757 13.833 2.042 1.00 7.86 H new ATOM 35 N ARG A 6 -9.767 12.985 -2.276 1.00 5.61 N ATOM 36 CA ARG A 6 -9.757 12.152 -3.519 1.00 5.48 C ATOM 37 C ARG A 6 -9.283 10.730 -3.215 1.00 4.69 C ATOM 38 O ARG A 6 -9.594 9.802 -3.938 1.00 4.64 O ATOM 39 CB ARG A 6 -8.818 12.770 -4.549 1.00 6.06 C ATOM 40 CG ARG A 6 -9.588 13.767 -5.422 1.00 6.84 C ATOM 41 CD ARG A 6 -10.340 13.022 -6.528 1.00 7.76 C ATOM 42 NE ARG A 6 -11.292 13.956 -7.198 1.00 8.57 N ATOM 43 CZ ARG A 6 -12.363 13.492 -7.788 1.00 9.27 C ATOM 44 NH1 ARG A 6 -13.376 13.073 -7.073 1.00 9.70 N ATOM 45 NH2 ARG A 6 -12.423 13.452 -9.094 1.00 9.77 N ATOM 0 H ARG A 6 -8.891 13.464 -2.069 1.00 5.61 H new ATOM 0 HA ARG A 6 -10.774 12.116 -3.910 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -7.993 13.275 -4.046 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -8.382 11.989 -5.172 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -10.291 14.332 -4.810 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -8.898 14.487 -5.861 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -9.635 12.621 -7.256 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -10.881 12.174 -6.107 1.00 7.76 H new ATOM 0 HE ARG A 6 -11.107 14.959 -7.196 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -13.331 13.108 -6.055 1.00 9.70 H new ATOM 0 HH12 ARG A 6 -14.211 12.711 -7.534 1.00 9.70 H new ATOM 0 HH21 ARG A 6 -11.635 13.782 -9.651 1.00 9.77 H new ATOM 0 HH22 ARG A 6 -13.258 13.090 -9.555 1.00 9.77 H new ATOM 59 N CYS A 7 -8.529 10.561 -2.160 1.00 4.47 N ATOM 60 CA CYS A 7 -8.013 9.207 -1.793 1.00 4.05 C ATOM 61 C CYS A 7 -9.154 8.186 -1.777 1.00 4.38 C ATOM 62 O CYS A 7 -10.152 8.370 -1.102 1.00 4.93 O ATOM 63 CB CYS A 7 -7.364 9.238 -0.408 1.00 4.32 C ATOM 64 SG CYS A 7 -5.590 9.552 -0.574 1.00 4.79 S ATOM 0 H CYS A 7 -8.245 11.311 -1.530 1.00 4.47 H new ATOM 0 HA CYS A 7 -7.272 8.919 -2.539 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -7.825 10.014 0.203 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -7.529 8.290 0.103 1.00 4.32 H new ATOM 69 N GLN A 8 -9.011 7.109 -2.510 1.00 4.51 N ATOM 70 CA GLN A 8 -10.075 6.067 -2.535 1.00 5.30 C ATOM 71 C GLN A 8 -9.934 5.128 -1.319 1.00 5.47 C ATOM 72 O GLN A 8 -10.735 4.229 -1.137 1.00 6.21 O ATOM 73 CB GLN A 8 -9.960 5.257 -3.834 1.00 5.63 C ATOM 74 CG GLN A 8 -8.608 4.534 -3.895 1.00 6.22 C ATOM 75 CD GLN A 8 -8.749 3.252 -4.723 1.00 7.21 C ATOM 76 OE1 GLN A 8 -8.717 3.293 -5.936 1.00 7.78 O ATOM 77 NE2 GLN A 8 -8.907 2.106 -4.114 1.00 7.68 N ATOM 0 H GLN A 8 -8.198 6.909 -3.093 1.00 4.51 H new ATOM 0 HA GLN A 8 -11.051 6.551 -2.489 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -10.771 4.531 -3.890 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -10.065 5.919 -4.694 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -7.855 5.185 -4.339 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -8.267 4.293 -2.888 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -8.934 2.069 -3.095 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -9.003 1.248 -4.658 1.00 7.68 H new ATOM 86 N CYS A 9 -8.931 5.326 -0.486 1.00 5.04 N ATOM 87 CA CYS A 9 -8.757 4.442 0.705 1.00 5.45 C ATOM 88 C CYS A 9 -8.454 5.279 1.951 1.00 5.99 C ATOM 89 O CYS A 9 -7.340 5.730 2.151 1.00 6.13 O ATOM 90 CB CYS A 9 -7.602 3.462 0.462 1.00 5.08 C ATOM 91 SG CYS A 9 -8.261 1.827 0.045 1.00 5.12 S ATOM 0 H CYS A 9 -8.231 6.061 -0.585 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.682 3.888 0.863 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -6.968 3.826 -0.347 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -6.976 3.396 1.352 1.00 5.08 H new ATOM 96 N ILE A 10 -9.432 5.460 2.808 1.00 6.61 N ATOM 97 CA ILE A 10 -9.195 6.231 4.068 1.00 7.44 C ATOM 98 C ILE A 10 -8.278 5.390 4.969 1.00 7.48 C ATOM 99 O ILE A 10 -7.457 5.910 5.700 1.00 8.16 O ATOM 100 CB ILE A 10 -10.531 6.495 4.781 1.00 8.38 C ATOM 101 CG1 ILE A 10 -11.438 7.342 3.877 1.00 8.63 C ATOM 102 CG2 ILE A 10 -10.278 7.250 6.090 1.00 9.31 C ATOM 103 CD1 ILE A 10 -12.893 6.900 4.050 1.00 9.47 C ATOM 0 H ILE A 10 -10.382 5.107 2.688 1.00 6.61 H new ATOM 0 HA ILE A 10 -8.731 7.191 3.844 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.015 5.543 4.997 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -11.336 8.398 4.129 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -11.135 7.232 2.836 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -11.227 7.435 6.592 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -9.636 6.652 6.737 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -9.791 8.201 5.873 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -13.535 7.502 3.407 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -12.989 5.849 3.776 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -13.193 7.033 5.090 1.00 9.47 H new ATOM 115 N LYS A 11 -8.405 4.085 4.883 1.00 6.93 N ATOM 116 CA LYS A 11 -7.544 3.166 5.685 1.00 7.15 C ATOM 117 C LYS A 11 -6.684 2.355 4.707 1.00 6.42 C ATOM 118 O LYS A 11 -7.079 2.123 3.577 1.00 6.35 O ATOM 119 CB LYS A 11 -8.423 2.222 6.520 1.00 8.05 C ATOM 120 CG LYS A 11 -9.445 1.513 5.620 1.00 8.65 C ATOM 121 CD LYS A 11 -10.170 0.425 6.419 1.00 9.04 C ATOM 122 CE LYS A 11 -9.480 -0.925 6.199 1.00 9.50 C ATOM 123 NZ LYS A 11 -10.040 -1.584 4.983 1.00 9.69 N ATOM 0 H LYS A 11 -9.080 3.615 4.281 1.00 6.93 H new ATOM 0 HA LYS A 11 -6.910 3.735 6.365 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -7.799 1.485 7.025 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -8.941 2.787 7.296 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -10.165 2.234 5.233 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -8.942 1.072 4.760 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -10.168 0.677 7.480 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -11.213 0.366 6.108 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -8.406 -0.781 6.084 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -9.624 -1.564 7.070 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -9.570 -2.500 4.837 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -11.061 -1.736 5.109 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -9.880 -0.976 4.154 1.00 9.69 H new ATOM 137 N THR A 12 -5.511 1.936 5.111 1.00 6.02 N ATOM 138 CA THR A 12 -4.640 1.162 4.173 1.00 5.35 C ATOM 139 C THR A 12 -4.294 -0.218 4.739 1.00 5.31 C ATOM 140 O THR A 12 -4.800 -0.636 5.765 1.00 5.80 O ATOM 141 CB THR A 12 -3.350 1.938 3.879 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.135 2.937 4.872 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.457 2.581 2.498 1.00 5.32 C ATOM 0 H THR A 12 -5.121 2.094 6.040 1.00 6.02 H new ATOM 0 HA THR A 12 -5.198 1.022 3.247 1.00 5.35 H new ATOM 0 HB THR A 12 -2.503 1.252 3.897 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.518 3.615 4.526 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.543 3.134 2.283 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.597 1.805 1.745 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.307 3.263 2.479 1.00 5.32 H new ATOM 151 N TYR A 13 -3.442 -0.932 4.043 1.00 4.96 N ATOM 152 CA TYR A 13 -3.046 -2.301 4.469 1.00 5.03 C ATOM 153 C TYR A 13 -1.801 -2.238 5.359 1.00 5.08 C ATOM 154 O TYR A 13 -0.769 -1.725 4.966 1.00 4.67 O ATOM 155 CB TYR A 13 -2.738 -3.124 3.212 1.00 4.85 C ATOM 156 CG TYR A 13 -2.825 -4.602 3.494 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.679 -5.086 4.489 1.00 5.34 C ATOM 158 CD2 TYR A 13 -2.042 -5.486 2.747 1.00 5.75 C ATOM 159 CE1 TYR A 13 -3.748 -6.461 4.743 1.00 5.79 C ATOM 160 CE2 TYR A 13 -2.110 -6.863 2.997 1.00 6.30 C ATOM 161 CZ TYR A 13 -2.963 -7.351 3.996 1.00 6.23 C ATOM 162 OH TYR A 13 -3.029 -8.707 4.246 1.00 6.84 O ATOM 0 H TYR A 13 -2.999 -0.612 3.182 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.855 -2.761 5.037 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.439 -2.860 2.420 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.740 -2.878 2.849 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.285 -4.400 5.062 1.00 5.34 H new ATOM 0 HD2 TYR A 13 -1.385 -5.108 1.978 1.00 5.75 H new ATOM 0 HE1 TYR A 13 -4.405 -6.836 5.514 1.00 5.79 H new ATOM 0 HE2 TYR A 13 -1.506 -7.548 2.420 1.00 6.30 H new ATOM 0 HH TYR A 13 -2.423 -9.181 3.640 1.00 6.84 H new ATOM 172 N SER A 14 -1.893 -2.774 6.551 1.00 5.82 N ATOM 173 CA SER A 14 -0.721 -2.774 7.477 1.00 6.06 C ATOM 174 C SER A 14 -0.015 -4.130 7.399 1.00 6.51 C ATOM 175 O SER A 14 1.192 -4.215 7.531 1.00 6.88 O ATOM 176 CB SER A 14 -1.195 -2.528 8.911 1.00 6.42 C ATOM 177 OG SER A 14 -0.143 -1.926 9.655 1.00 6.80 O ATOM 0 H SER A 14 -2.735 -3.214 6.923 1.00 5.82 H new ATOM 0 HA SER A 14 -0.030 -1.983 7.186 1.00 6.06 H new ATOM 0 HB2 SER A 14 -2.072 -1.881 8.911 1.00 6.42 H new ATOM 0 HB3 SER A 14 -1.492 -3.469 9.375 1.00 6.42 H new ATOM 0 HG SER A 14 -0.443 -1.765 10.574 1.00 6.80 H new ATOM 183 N LYS A 15 -0.754 -5.192 7.171 1.00 6.59 N ATOM 184 CA LYS A 15 -0.121 -6.538 7.070 1.00 7.06 C ATOM 185 C LYS A 15 0.585 -6.638 5.715 1.00 6.32 C ATOM 186 O LYS A 15 0.058 -6.196 4.715 1.00 6.13 O ATOM 187 CB LYS A 15 -1.162 -7.663 7.176 1.00 7.75 C ATOM 188 CG LYS A 15 -2.445 -7.171 7.859 1.00 8.64 C ATOM 189 CD LYS A 15 -3.348 -8.365 8.172 1.00 9.43 C ATOM 190 CE LYS A 15 -4.259 -8.023 9.354 1.00 10.20 C ATOM 191 NZ LYS A 15 -4.993 -9.246 9.786 1.00 10.59 N ATOM 0 H LYS A 15 -1.767 -5.180 7.051 1.00 6.59 H new ATOM 0 HA LYS A 15 0.584 -6.654 7.893 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.398 -8.038 6.180 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.744 -8.497 7.740 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -2.199 -6.637 8.777 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -2.967 -6.467 7.211 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -3.948 -8.619 7.298 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -2.742 -9.240 8.408 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -3.668 -7.630 10.181 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -4.966 -7.244 9.069 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -5.612 -9.014 10.589 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -5.569 -9.602 8.997 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -4.311 -9.976 10.074 1.00 10.59 H new ATOM 205 N PRO A 16 1.767 -7.193 5.726 1.00 6.02 N ATOM 206 CA PRO A 16 2.590 -7.341 4.516 1.00 5.35 C ATOM 207 C PRO A 16 2.199 -8.594 3.727 1.00 5.50 C ATOM 208 O PRO A 16 1.585 -9.506 4.253 1.00 6.37 O ATOM 209 CB PRO A 16 4.005 -7.473 5.077 1.00 5.39 C ATOM 210 CG PRO A 16 3.859 -7.978 6.534 1.00 6.26 C ATOM 211 CD PRO A 16 2.397 -7.722 6.947 1.00 6.51 C ATOM 0 HA PRO A 16 2.475 -6.511 3.819 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.594 -8.171 4.482 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.524 -6.515 5.049 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.100 -9.039 6.602 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.546 -7.452 7.197 1.00 6.26 H new ATOM 0 HD2 PRO A 16 1.911 -8.638 7.282 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.334 -7.009 7.769 1.00 6.51 H new ATOM 219 N PHE A 17 2.564 -8.644 2.469 1.00 4.76 N ATOM 220 CA PHE A 17 2.230 -9.840 1.633 1.00 4.96 C ATOM 221 C PHE A 17 3.088 -9.847 0.354 1.00 4.78 C ATOM 222 O PHE A 17 3.553 -8.818 -0.103 1.00 4.77 O ATOM 223 CB PHE A 17 0.725 -9.846 1.294 1.00 4.69 C ATOM 224 CG PHE A 17 0.384 -8.796 0.256 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.385 -7.436 0.594 1.00 3.29 C ATOM 226 CD2 PHE A 17 0.052 -9.192 -1.046 1.00 3.74 C ATOM 227 CE1 PHE A 17 0.056 -6.476 -0.371 1.00 2.59 C ATOM 228 CE2 PHE A 17 -0.276 -8.231 -2.009 1.00 3.14 C ATOM 229 CZ PHE A 17 -0.274 -6.874 -1.671 1.00 2.38 C ATOM 0 H PHE A 17 3.079 -7.908 1.985 1.00 4.76 H new ATOM 0 HA PHE A 17 2.454 -10.746 2.196 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.438 -10.831 0.924 1.00 4.69 H new ATOM 0 HB3 PHE A 17 0.146 -9.665 2.200 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.639 -7.129 1.598 1.00 3.29 H new ATOM 0 HD2 PHE A 17 0.049 -10.240 -1.307 1.00 3.74 H new ATOM 0 HE1 PHE A 17 0.057 -5.428 -0.111 1.00 2.59 H new ATOM 0 HE2 PHE A 17 -0.531 -8.537 -3.013 1.00 3.14 H new ATOM 0 HZ PHE A 17 -0.527 -6.133 -2.414 1.00 2.38 H new ATOM 239 N HIS A 18 3.308 -11.015 -0.209 1.00 4.92 N ATOM 240 CA HIS A 18 4.145 -11.141 -1.445 1.00 5.06 C ATOM 241 C HIS A 18 3.476 -10.378 -2.622 1.00 4.32 C ATOM 242 O HIS A 18 2.265 -10.354 -2.733 1.00 4.10 O ATOM 243 CB HIS A 18 4.331 -12.636 -1.721 1.00 5.95 C ATOM 244 CG HIS A 18 4.793 -12.851 -3.116 1.00 6.25 C ATOM 245 ND1 HIS A 18 6.129 -12.971 -3.465 1.00 6.36 N ATOM 246 CD2 HIS A 18 4.091 -12.970 -4.259 1.00 6.72 C ATOM 247 CE1 HIS A 18 6.169 -13.155 -4.795 1.00 6.81 C ATOM 248 NE2 HIS A 18 4.951 -13.169 -5.320 1.00 7.07 N ATOM 0 H HIS A 18 2.937 -11.898 0.142 1.00 4.92 H new ATOM 0 HA HIS A 18 5.128 -10.687 -1.318 1.00 5.06 H new ATOM 0 HB2 HIS A 18 5.056 -13.054 -1.023 1.00 5.95 H new ATOM 0 HB3 HIS A 18 3.391 -13.162 -1.557 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.929 -12.928 -2.833 1.00 6.36 H new ATOM 0 HD2 HIS A 18 3.015 -12.918 -4.334 1.00 6.72 H new ATOM 0 HE1 HIS A 18 7.078 -13.276 -5.365 1.00 6.81 H new ATOM 256 N PRO A 19 4.304 -9.715 -3.423 1.00 4.16 N ATOM 257 CA PRO A 19 3.846 -8.858 -4.551 1.00 3.77 C ATOM 258 C PRO A 19 3.368 -9.613 -5.800 1.00 4.27 C ATOM 259 O PRO A 19 2.363 -9.246 -6.371 1.00 4.32 O ATOM 260 CB PRO A 19 5.083 -8.025 -4.894 1.00 3.96 C ATOM 261 CG PRO A 19 6.301 -8.814 -4.373 1.00 4.62 C ATOM 262 CD PRO A 19 5.778 -9.763 -3.281 1.00 4.65 C ATOM 0 HA PRO A 19 2.969 -8.288 -4.246 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.156 -7.864 -5.970 1.00 3.96 H new ATOM 0 HB3 PRO A 19 5.030 -7.041 -4.428 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.773 -9.375 -5.180 1.00 4.62 H new ATOM 0 HG3 PRO A 19 7.056 -8.139 -3.970 1.00 4.62 H new ATOM 0 HD2 PRO A 19 6.157 -10.775 -3.420 1.00 4.65 H new ATOM 0 HD3 PRO A 19 6.092 -9.438 -2.289 1.00 4.65 H new ATOM 270 N LYS A 20 4.085 -10.612 -6.266 1.00 4.91 N ATOM 271 CA LYS A 20 3.654 -11.327 -7.525 1.00 5.52 C ATOM 272 C LYS A 20 2.161 -11.708 -7.478 1.00 5.00 C ATOM 273 O LYS A 20 1.523 -11.811 -8.509 1.00 5.39 O ATOM 274 CB LYS A 20 4.504 -12.567 -7.774 1.00 6.44 C ATOM 275 CG LYS A 20 4.595 -12.839 -9.280 1.00 7.16 C ATOM 276 CD LYS A 20 6.053 -12.732 -9.735 1.00 7.91 C ATOM 277 CE LYS A 20 6.105 -12.286 -11.199 1.00 8.41 C ATOM 278 NZ LYS A 20 6.176 -10.797 -11.267 1.00 8.95 N ATOM 0 H LYS A 20 4.941 -10.964 -5.838 1.00 4.91 H new ATOM 0 HA LYS A 20 3.802 -10.633 -8.352 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.502 -12.424 -7.360 1.00 6.44 H new ATOM 0 HB3 LYS A 20 4.068 -13.427 -7.265 1.00 6.44 H new ATOM 0 HG2 LYS A 20 4.206 -13.832 -9.504 1.00 7.16 H new ATOM 0 HG3 LYS A 20 3.980 -12.124 -9.827 1.00 7.16 H new ATOM 0 HD2 LYS A 20 6.588 -12.019 -9.108 1.00 7.91 H new ATOM 0 HD3 LYS A 20 6.552 -13.694 -9.620 1.00 7.91 H new ATOM 0 HE2 LYS A 20 6.972 -12.724 -11.693 1.00 8.41 H new ATOM 0 HE3 LYS A 20 5.222 -12.643 -11.730 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 6.211 -10.496 -12.262 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 5.335 -10.388 -10.811 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 7.031 -10.467 -10.775 1.00 8.95 H new ATOM 292 N PHE A 21 1.586 -11.879 -6.301 1.00 4.37 N ATOM 293 CA PHE A 21 0.128 -12.204 -6.216 1.00 4.15 C ATOM 294 C PHE A 21 -0.662 -11.059 -6.866 1.00 3.56 C ATOM 295 O PHE A 21 -1.649 -11.273 -7.545 1.00 3.88 O ATOM 296 CB PHE A 21 -0.301 -12.321 -4.756 1.00 4.02 C ATOM 297 CG PHE A 21 0.504 -13.373 -4.017 1.00 4.64 C ATOM 298 CD1 PHE A 21 1.042 -14.476 -4.697 1.00 5.11 C ATOM 299 CD2 PHE A 21 0.701 -13.243 -2.636 1.00 5.12 C ATOM 300 CE1 PHE A 21 1.776 -15.440 -3.995 1.00 5.85 C ATOM 301 CE2 PHE A 21 1.432 -14.208 -1.936 1.00 5.85 C ATOM 302 CZ PHE A 21 1.971 -15.306 -2.616 1.00 6.13 C ATOM 0 H PHE A 21 2.066 -11.807 -5.404 1.00 4.37 H new ATOM 0 HA PHE A 21 -0.063 -13.149 -6.724 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.179 -11.357 -4.263 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.360 -12.573 -4.707 1.00 4.02 H new ATOM 0 HD1 PHE A 21 0.890 -14.581 -5.761 1.00 5.11 H new ATOM 0 HD2 PHE A 21 0.287 -12.395 -2.111 1.00 5.12 H new ATOM 0 HE1 PHE A 21 2.192 -16.288 -4.519 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.581 -14.106 -0.871 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.538 -16.050 -2.076 1.00 6.13 H new ATOM 312 N ILE A 22 -0.209 -9.845 -6.657 1.00 2.94 N ATOM 313 CA ILE A 22 -0.878 -8.645 -7.241 1.00 2.62 C ATOM 314 C ILE A 22 -0.783 -8.691 -8.766 1.00 3.41 C ATOM 315 O ILE A 22 0.293 -8.774 -9.330 1.00 4.13 O ATOM 316 CB ILE A 22 -0.170 -7.378 -6.735 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.221 -7.328 -5.204 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.861 -6.142 -7.305 1.00 2.53 C ATOM 319 CD1 ILE A 22 1.032 -6.622 -4.674 1.00 2.47 C ATOM 0 H ILE A 22 0.615 -9.635 -6.093 1.00 2.94 H new ATOM 0 HA ILE A 22 -1.926 -8.635 -6.942 1.00 2.62 H new ATOM 0 HB ILE A 22 0.870 -7.398 -7.061 1.00 2.18 H new ATOM 0 HG12 ILE A 22 -1.116 -6.799 -4.876 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.282 -8.338 -4.798 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.357 -5.245 -6.945 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.817 -6.170 -8.394 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.903 -6.127 -6.984 1.00 2.53 H new ATOM 0 HD11 ILE A 22 0.996 -6.586 -3.585 1.00 2.47 H new ATOM 0 HD12 ILE A 22 1.920 -7.170 -4.990 1.00 2.47 H new ATOM 0 HD13 ILE A 22 1.072 -5.607 -5.069 1.00 2.47 H new ATOM 331 N LYS A 23 -1.904 -8.618 -9.434 1.00 3.62 N ATOM 332 CA LYS A 23 -1.896 -8.632 -10.924 1.00 4.61 C ATOM 333 C LYS A 23 -1.772 -7.191 -11.444 1.00 5.00 C ATOM 334 O LYS A 23 -1.345 -6.967 -12.560 1.00 5.88 O ATOM 335 CB LYS A 23 -3.198 -9.252 -11.441 1.00 5.10 C ATOM 336 CG LYS A 23 -2.923 -10.004 -12.747 1.00 5.85 C ATOM 337 CD LYS A 23 -4.165 -9.956 -13.643 1.00 6.35 C ATOM 338 CE LYS A 23 -4.964 -11.254 -13.489 1.00 6.93 C ATOM 339 NZ LYS A 23 -5.409 -11.730 -14.831 1.00 7.72 N ATOM 0 H LYS A 23 -2.828 -8.549 -9.008 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.051 -9.223 -11.277 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -3.609 -9.933 -10.696 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -3.943 -8.474 -11.607 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -2.073 -9.557 -13.263 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -2.657 -11.039 -12.533 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -4.786 -9.101 -13.374 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -3.870 -9.821 -14.683 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -4.351 -12.015 -13.007 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -5.828 -11.087 -12.846 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -5.951 -12.611 -14.725 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -6.009 -11.006 -15.275 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -4.577 -11.905 -15.430 1.00 7.72 H new ATOM 353 N GLU A 24 -2.143 -6.213 -10.641 1.00 4.51 N ATOM 354 CA GLU A 24 -2.048 -4.794 -11.088 1.00 5.13 C ATOM 355 C GLU A 24 -1.723 -3.897 -9.880 1.00 4.55 C ATOM 356 O GLU A 24 -2.569 -3.650 -9.042 1.00 4.65 O ATOM 357 CB GLU A 24 -3.388 -4.374 -11.704 1.00 5.78 C ATOM 358 CG GLU A 24 -3.306 -2.924 -12.182 1.00 6.35 C ATOM 359 CD GLU A 24 -3.042 -2.891 -13.690 1.00 7.36 C ATOM 360 OE1 GLU A 24 -4.000 -2.965 -14.442 1.00 7.92 O ATOM 361 OE2 GLU A 24 -1.885 -2.793 -14.067 1.00 7.77 O ATOM 0 H GLU A 24 -2.506 -6.345 -9.697 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.257 -4.690 -11.831 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -3.636 -5.029 -12.540 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -4.186 -4.480 -10.969 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -4.236 -2.403 -11.955 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -2.510 -2.401 -11.652 1.00 6.35 H new HETATM 368 N MLE A 25 -0.503 -3.410 -9.780 1.00 4.25 N HETATM 369 CN MLE A 25 0.098 -2.873 -11.044 1.00 5.13 C HETATM 370 CA MLE A 25 -0.142 -2.535 -8.611 1.00 3.66 C HETATM 371 CB MLE A 25 1.225 -2.955 -8.045 1.00 3.52 C HETATM 372 CG MLE A 25 1.761 -1.850 -7.117 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.263 -2.463 -5.813 1.00 2.93 C HETATM 374 CD2 MLE A 25 2.909 -1.104 -7.810 1.00 3.54 C HETATM 375 C MLE A 25 -0.075 -1.067 -9.060 1.00 4.19 C HETATM 376 O MLE A 25 0.873 -0.650 -9.706 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.712 -1.804 -8.039 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.545 -0.654 -8.734 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.286 -0.323 -7.150 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.444 -2.983 -5.316 1.00 2.93 H new HETATM 0 HD12 MLE A 25 3.064 -3.170 -6.028 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.641 -1.675 -5.162 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.278 -1.866 -11.227 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.183 -2.843 -10.947 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.174 -3.519 -11.879 1.00 5.13 H new HETATM 0 HG MLE A 25 0.955 -1.150 -6.896 1.00 3.28 H new HETATM 0 HB3 MLE A 25 1.130 -3.891 -7.495 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.928 -3.133 -8.859 1.00 3.52 H new HETATM 0 HA MLE A 25 -0.904 -2.646 -7.839 1.00 3.66 H new ATOM 390 N ARG A 26 -1.058 -0.279 -8.727 1.00 4.14 N ATOM 391 CA ARG A 26 -1.017 1.148 -9.148 1.00 4.79 C ATOM 392 C ARG A 26 -1.089 2.059 -7.915 1.00 4.70 C ATOM 393 O ARG A 26 -1.915 1.872 -7.044 1.00 4.97 O ATOM 394 CB ARG A 26 -2.188 1.458 -10.093 1.00 5.59 C ATOM 395 CG ARG A 26 -3.489 0.864 -9.540 1.00 5.99 C ATOM 396 CD ARG A 26 -4.685 1.624 -10.118 1.00 6.35 C ATOM 397 NE ARG A 26 -5.952 1.037 -9.593 1.00 7.16 N ATOM 398 CZ ARG A 26 -7.061 1.162 -10.273 1.00 7.92 C ATOM 399 NH1 ARG A 26 -7.295 0.378 -11.294 1.00 8.32 N ATOM 400 NH2 ARG A 26 -7.937 2.071 -9.930 1.00 8.52 N ATOM 0 H ARG A 26 -1.878 -0.556 -8.188 1.00 4.14 H new ATOM 0 HA ARG A 26 -0.081 1.331 -9.675 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.294 2.536 -10.211 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -1.984 1.048 -11.082 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -3.557 -0.193 -9.798 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -3.496 0.927 -8.452 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -4.623 2.679 -9.850 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -4.671 1.570 -11.207 1.00 6.35 H new ATOM 0 HE ARG A 26 -5.953 0.538 -8.703 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -6.612 -0.331 -11.560 1.00 8.32 H new ATOM 0 HH12 ARG A 26 -8.161 0.476 -11.824 1.00 8.32 H new ATOM 0 HH21 ARG A 26 -7.754 2.681 -9.133 1.00 8.52 H new ATOM 0 HH22 ARG A 26 -8.803 2.170 -10.460 1.00 8.52 H new ATOM 414 N VAL A 27 -0.229 3.044 -7.837 1.00 4.69 N ATOM 415 CA VAL A 27 -0.240 3.971 -6.665 1.00 4.83 C ATOM 416 C VAL A 27 -0.924 5.292 -7.048 1.00 4.79 C ATOM 417 O VAL A 27 -0.953 5.671 -8.206 1.00 5.45 O ATOM 418 CB VAL A 27 1.203 4.245 -6.213 1.00 5.66 C ATOM 419 CG1 VAL A 27 1.746 3.019 -5.477 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.098 4.544 -7.423 1.00 6.04 C ATOM 0 H VAL A 27 0.483 3.246 -8.538 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.794 3.509 -5.848 1.00 4.83 H new ATOM 0 HB VAL A 27 1.204 5.110 -5.550 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.770 3.211 -5.156 1.00 6.10 H new ATOM 0 HG12 VAL A 27 1.125 2.813 -4.605 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.731 2.158 -6.145 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.116 4.736 -7.084 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.095 3.688 -8.098 1.00 6.04 H new ATOM 0 HG23 VAL A 27 1.719 5.421 -7.948 1.00 6.04 H new ATOM 430 N ILE A 28 -1.474 5.994 -6.083 1.00 4.28 N ATOM 431 CA ILE A 28 -2.159 7.292 -6.386 1.00 4.40 C ATOM 432 C ILE A 28 -1.200 8.453 -6.100 1.00 4.70 C ATOM 433 O ILE A 28 -0.330 8.354 -5.256 1.00 5.01 O ATOM 434 CB ILE A 28 -3.404 7.451 -5.499 1.00 4.45 C ATOM 435 CG1 ILE A 28 -4.254 6.176 -5.545 1.00 4.94 C ATOM 436 CG2 ILE A 28 -4.241 8.632 -6.000 1.00 4.49 C ATOM 437 CD1 ILE A 28 -5.254 6.188 -4.384 1.00 5.05 C ATOM 0 H ILE A 28 -1.478 5.724 -5.100 1.00 4.28 H new ATOM 0 HA ILE A 28 -2.455 7.298 -7.435 1.00 4.40 H new ATOM 0 HB ILE A 28 -3.084 7.631 -4.473 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -4.784 6.113 -6.495 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -3.614 5.296 -5.479 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -5.124 8.745 -5.371 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -3.646 9.544 -5.957 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -4.550 8.449 -7.029 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -5.859 5.282 -4.416 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -4.713 6.231 -3.439 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -5.902 7.060 -4.471 1.00 5.05 H new ATOM 449 N GLU A 29 -1.366 9.559 -6.787 1.00 5.08 N ATOM 450 CA GLU A 29 -0.480 10.734 -6.543 1.00 5.75 C ATOM 451 C GLU A 29 -1.013 11.540 -5.356 1.00 5.30 C ATOM 452 O GLU A 29 -2.104 11.305 -4.870 1.00 4.95 O ATOM 453 CB GLU A 29 -0.435 11.632 -7.785 1.00 6.63 C ATOM 454 CG GLU A 29 -1.853 11.924 -8.294 1.00 7.40 C ATOM 455 CD GLU A 29 -2.039 13.435 -8.452 1.00 8.35 C ATOM 456 OE1 GLU A 29 -2.310 14.086 -7.457 1.00 8.53 O ATOM 457 OE2 GLU A 29 -1.905 13.916 -9.565 1.00 9.09 O ATOM 0 H GLU A 29 -2.077 9.695 -7.505 1.00 5.08 H new ATOM 0 HA GLU A 29 0.526 10.376 -6.325 1.00 5.75 H new ATOM 0 HB2 GLU A 29 0.071 12.567 -7.546 1.00 6.63 H new ATOM 0 HB3 GLU A 29 0.146 11.147 -8.570 1.00 6.63 H new ATOM 0 HG2 GLU A 29 -2.018 11.425 -9.249 1.00 7.40 H new ATOM 0 HG3 GLU A 29 -2.590 11.527 -7.596 1.00 7.40 H new ATOM 464 N SER A 30 -0.245 12.488 -4.889 1.00 5.67 N ATOM 465 CA SER A 30 -0.686 13.320 -3.731 1.00 5.68 C ATOM 466 C SER A 30 -0.984 14.751 -4.195 1.00 6.20 C ATOM 467 O SER A 30 -0.500 15.200 -5.219 1.00 6.77 O ATOM 468 CB SER A 30 0.409 13.344 -2.659 1.00 6.35 C ATOM 469 OG SER A 30 1.688 13.206 -3.271 1.00 7.18 O ATOM 0 H SER A 30 0.675 12.723 -5.262 1.00 5.67 H new ATOM 0 HA SER A 30 -1.592 12.885 -3.310 1.00 5.68 H new ATOM 0 HB2 SER A 30 0.362 14.278 -2.100 1.00 6.35 H new ATOM 0 HB3 SER A 30 0.249 12.537 -1.945 1.00 6.35 H new ATOM 0 HG SER A 30 2.136 12.410 -2.917 1.00 7.18 H new ATOM 475 N GLY A 31 -1.780 15.463 -3.440 1.00 6.36 N ATOM 476 CA GLY A 31 -2.133 16.871 -3.805 1.00 7.19 C ATOM 477 C GLY A 31 -2.983 17.479 -2.679 1.00 7.66 C ATOM 478 O GLY A 31 -2.907 17.035 -1.548 1.00 7.75 O ATOM 0 H GLY A 31 -2.206 15.127 -2.576 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -1.228 17.460 -3.954 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.684 16.890 -4.745 1.00 7.19 H new ATOM 482 N PRO A 32 -3.797 18.456 -3.020 1.00 8.17 N ATOM 483 CA PRO A 32 -4.699 19.105 -2.045 1.00 8.85 C ATOM 484 C PRO A 32 -5.851 18.143 -1.720 1.00 8.11 C ATOM 485 O PRO A 32 -6.323 18.070 -0.602 1.00 8.52 O ATOM 486 CB PRO A 32 -5.185 20.360 -2.779 1.00 9.69 C ATOM 487 CG PRO A 32 -4.986 20.089 -4.287 1.00 9.20 C ATOM 488 CD PRO A 32 -3.901 18.997 -4.396 1.00 8.39 C ATOM 0 HA PRO A 32 -4.230 19.358 -1.094 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -6.233 20.559 -2.555 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -4.620 21.237 -2.464 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.917 19.759 -4.748 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -4.677 20.996 -4.807 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -4.184 18.223 -5.109 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -2.951 19.410 -4.735 1.00 8.39 H new ATOM 496 N HIS A 33 -6.271 17.386 -2.705 1.00 7.21 N ATOM 497 CA HIS A 33 -7.361 16.377 -2.517 1.00 6.64 C ATOM 498 C HIS A 33 -6.915 15.328 -1.484 1.00 5.94 C ATOM 499 O HIS A 33 -7.689 14.899 -0.647 1.00 6.05 O ATOM 500 CB HIS A 33 -7.642 15.676 -3.860 1.00 6.27 C ATOM 501 CG HIS A 33 -6.351 15.130 -4.440 1.00 5.79 C ATOM 502 ND1 HIS A 33 -5.474 15.920 -5.172 1.00 6.54 N ATOM 503 CD2 HIS A 33 -5.752 13.896 -4.352 1.00 4.91 C ATOM 504 CE1 HIS A 33 -4.404 15.165 -5.477 1.00 6.20 C ATOM 505 NE2 HIS A 33 -4.523 13.922 -5.006 1.00 5.23 N ATOM 0 H HIS A 33 -5.895 17.426 -3.652 1.00 7.21 H new ATOM 0 HA HIS A 33 -8.263 16.877 -2.165 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -8.356 14.866 -3.714 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -8.096 16.379 -4.559 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -6.171 13.036 -3.851 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -3.551 15.521 -6.036 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -3.857 13.156 -5.104 1.00 5.23 H new ATOM 513 N CYS A 34 -5.666 14.929 -1.537 1.00 5.51 N ATOM 514 CA CYS A 34 -5.132 13.930 -0.577 1.00 5.12 C ATOM 515 C CYS A 34 -3.633 14.193 -0.384 1.00 5.54 C ATOM 516 O CYS A 34 -2.817 13.815 -1.206 1.00 5.84 O ATOM 517 CB CYS A 34 -5.337 12.500 -1.107 1.00 4.12 C ATOM 518 SG CYS A 34 -5.321 11.352 0.288 1.00 4.37 S ATOM 0 H CYS A 34 -4.987 15.264 -2.221 1.00 5.51 H new ATOM 0 HA CYS A 34 -5.662 14.023 0.371 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.283 12.429 -1.643 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.549 12.244 -1.815 1.00 4.12 H new ATOM 523 N ALA A 35 -3.268 14.854 0.689 1.00 5.90 N ATOM 524 CA ALA A 35 -1.822 15.158 0.938 1.00 6.66 C ATOM 525 C ALA A 35 -1.032 13.860 1.143 1.00 6.33 C ATOM 526 O ALA A 35 0.099 13.743 0.709 1.00 6.77 O ATOM 527 CB ALA A 35 -1.690 16.034 2.187 1.00 7.59 C ATOM 0 H ALA A 35 -3.910 15.197 1.404 1.00 5.90 H new ATOM 0 HA ALA A 35 -1.420 15.685 0.073 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -0.638 16.255 2.367 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -2.236 16.966 2.037 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -2.103 15.506 3.047 1.00 7.59 H new ATOM 533 N ASN A 36 -1.616 12.890 1.802 1.00 5.85 N ATOM 534 CA ASN A 36 -0.902 11.602 2.043 1.00 5.88 C ATOM 535 C ASN A 36 -1.018 10.701 0.807 1.00 5.34 C ATOM 536 O ASN A 36 -2.102 10.430 0.324 1.00 5.26 O ATOM 537 CB ASN A 36 -1.527 10.895 3.251 1.00 6.50 C ATOM 538 CG ASN A 36 -0.917 11.442 4.547 1.00 7.27 C ATOM 539 OD1 ASN A 36 -0.689 12.630 4.673 1.00 7.78 O ATOM 540 ND2 ASN A 36 -0.645 10.621 5.524 1.00 7.61 N ATOM 0 H ASN A 36 -2.561 12.937 2.184 1.00 5.85 H new ATOM 0 HA ASN A 36 0.151 11.805 2.239 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.606 11.047 3.254 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.356 9.821 3.183 1.00 6.50 H new ATOM 0 HD21 ASN A 36 -0.242 10.976 6.391 1.00 7.61 H new ATOM 0 HD22 ASN A 36 -0.835 9.624 5.421 1.00 7.61 H new ATOM 547 N THR A 37 0.098 10.233 0.300 1.00 5.30 N ATOM 548 CA THR A 37 0.073 9.341 -0.901 1.00 5.18 C ATOM 549 C THR A 37 -0.438 7.954 -0.486 1.00 4.58 C ATOM 550 O THR A 37 -0.163 7.488 0.605 1.00 4.95 O ATOM 551 CB THR A 37 1.489 9.220 -1.483 1.00 5.98 C ATOM 552 OG1 THR A 37 2.093 10.507 -1.531 1.00 6.76 O ATOM 553 CG2 THR A 37 1.422 8.640 -2.897 1.00 6.31 C ATOM 0 H THR A 37 1.028 10.432 0.668 1.00 5.30 H new ATOM 0 HA THR A 37 -0.588 9.762 -1.658 1.00 5.18 H new ATOM 0 HB THR A 37 2.081 8.559 -0.850 1.00 5.98 H new ATOM 0 HG1 THR A 37 2.997 10.430 -1.901 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.430 8.557 -3.304 1.00 6.31 H new ATOM 0 HG22 THR A 37 0.961 7.653 -2.864 1.00 6.31 H new ATOM 0 HG23 THR A 37 0.827 9.297 -3.532 1.00 6.31 H new ATOM 561 N GLU A 38 -1.183 7.294 -1.342 1.00 3.94 N ATOM 562 CA GLU A 38 -1.718 5.944 -0.990 1.00 3.67 C ATOM 563 C GLU A 38 -1.407 4.953 -2.115 1.00 2.99 C ATOM 564 O GLU A 38 -1.443 5.294 -3.282 1.00 3.33 O ATOM 565 CB GLU A 38 -3.236 6.033 -0.792 1.00 4.35 C ATOM 566 CG GLU A 38 -3.606 5.578 0.626 1.00 4.96 C ATOM 567 CD GLU A 38 -2.893 6.458 1.663 1.00 5.76 C ATOM 568 OE1 GLU A 38 -3.192 7.640 1.721 1.00 6.28 O ATOM 569 OE2 GLU A 38 -2.056 5.931 2.380 1.00 6.10 O ATOM 0 H GLU A 38 -1.442 7.634 -2.268 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.248 5.600 -0.069 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.573 7.057 -0.954 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.744 5.410 -1.527 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -4.685 5.638 0.766 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -3.324 4.535 0.767 1.00 4.96 H new ATOM 576 N ILE A 39 -1.106 3.724 -1.767 1.00 2.48 N ATOM 577 CA ILE A 39 -0.795 2.702 -2.810 1.00 2.38 C ATOM 578 C ILE A 39 -2.061 1.876 -3.094 1.00 2.16 C ATOM 579 O ILE A 39 -2.993 1.871 -2.313 1.00 2.22 O ATOM 580 CB ILE A 39 0.336 1.795 -2.284 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.644 2.599 -2.225 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.532 0.587 -3.208 1.00 3.44 C ATOM 583 CD1 ILE A 39 2.189 2.603 -0.795 1.00 2.94 C ATOM 0 H ILE A 39 -1.063 3.387 -0.805 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.472 3.179 -3.735 1.00 2.38 H new ATOM 0 HB ILE A 39 0.066 1.440 -1.290 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.379 2.164 -2.902 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.468 3.621 -2.559 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.334 -0.041 -2.820 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.391 0.010 -3.253 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.793 0.933 -4.208 1.00 3.44 H new ATOM 0 HD11 ILE A 39 3.116 3.175 -0.761 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.457 3.058 -0.128 1.00 2.94 H new ATOM 0 HD13 ILE A 39 2.382 1.579 -0.476 1.00 2.94 H new ATOM 595 N ILE A 40 -2.099 1.177 -4.205 1.00 2.34 N ATOM 596 CA ILE A 40 -3.291 0.333 -4.536 1.00 2.36 C ATOM 597 C ILE A 40 -2.825 -0.890 -5.323 1.00 2.37 C ATOM 598 O ILE A 40 -1.991 -0.792 -6.202 1.00 3.02 O ATOM 599 CB ILE A 40 -4.311 1.104 -5.386 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.702 2.411 -4.689 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.562 0.237 -5.577 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.519 3.277 -5.649 1.00 4.01 C ATOM 0 H ILE A 40 -1.352 1.155 -4.899 1.00 2.34 H new ATOM 0 HA ILE A 40 -3.772 0.041 -3.602 1.00 2.36 H new ATOM 0 HB ILE A 40 -3.866 1.338 -6.353 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.283 2.197 -3.792 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -3.808 2.947 -4.370 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.291 0.778 -6.180 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.289 -0.689 -6.083 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -5.996 0.005 -4.604 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -5.797 4.207 -5.153 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -4.923 3.502 -6.533 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.420 2.740 -5.946 1.00 4.01 H new ATOM 614 N VAL A 41 -3.358 -2.037 -5.013 1.00 2.04 N ATOM 615 CA VAL A 41 -2.967 -3.272 -5.726 1.00 2.10 C ATOM 616 C VAL A 41 -4.221 -4.113 -5.998 1.00 2.33 C ATOM 617 O VAL A 41 -5.257 -3.910 -5.393 1.00 2.79 O ATOM 618 CB VAL A 41 -1.986 -4.062 -4.857 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.677 -3.284 -4.711 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.586 -4.315 -3.469 1.00 3.20 C ATOM 0 H VAL A 41 -4.059 -2.168 -4.283 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.489 -3.023 -6.673 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.789 -5.020 -5.339 1.00 2.21 H new ATOM 0 HG11 VAL A 41 0.017 -3.852 -4.091 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.237 -3.124 -5.695 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.877 -2.320 -4.242 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.876 -4.878 -2.863 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.800 -3.362 -2.986 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.509 -4.886 -3.570 1.00 3.20 H new ATOM 630 N LYS A 42 -4.135 -5.051 -6.902 1.00 2.44 N ATOM 631 CA LYS A 42 -5.313 -5.912 -7.213 1.00 2.97 C ATOM 632 C LYS A 42 -4.902 -7.384 -7.109 1.00 2.77 C ATOM 633 O LYS A 42 -4.311 -7.938 -8.019 1.00 2.98 O ATOM 634 CB LYS A 42 -5.817 -5.609 -8.630 1.00 3.77 C ATOM 635 CG LYS A 42 -7.167 -4.890 -8.549 1.00 4.68 C ATOM 636 CD LYS A 42 -7.874 -4.972 -9.904 1.00 5.42 C ATOM 637 CE LYS A 42 -8.828 -6.172 -9.915 1.00 5.72 C ATOM 638 NZ LYS A 42 -10.162 -5.757 -9.393 1.00 6.76 N ATOM 0 H LYS A 42 -3.295 -5.259 -7.442 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.114 -5.707 -6.502 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.094 -4.989 -9.160 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -5.919 -6.534 -9.197 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.787 -5.344 -7.776 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.019 -3.848 -8.267 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -8.428 -4.052 -10.093 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -7.140 -5.071 -10.703 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -8.928 -6.560 -10.929 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -8.422 -6.978 -9.303 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -10.807 -6.573 -9.401 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -10.060 -5.406 -8.419 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -10.550 -5.002 -9.994 1.00 6.76 H new ATOM 652 N LEU A 43 -5.203 -8.014 -5.998 1.00 3.01 N ATOM 653 CA LEU A 43 -4.835 -9.448 -5.801 1.00 3.31 C ATOM 654 C LEU A 43 -5.419 -10.313 -6.922 1.00 3.92 C ATOM 655 O LEU A 43 -6.490 -10.039 -7.442 1.00 4.54 O ATOM 656 CB LEU A 43 -5.388 -9.933 -4.462 1.00 4.01 C ATOM 657 CG LEU A 43 -4.458 -9.494 -3.324 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.139 -9.747 -1.976 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.149 -10.289 -3.390 1.00 3.91 C ATOM 0 H LEU A 43 -5.694 -7.588 -5.212 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.748 -9.534 -5.815 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.388 -9.528 -4.303 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.481 -11.019 -4.469 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.242 -8.431 -3.428 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.476 -9.434 -1.169 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -6.067 -9.178 -1.925 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.359 -10.810 -1.873 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.491 -9.974 -2.580 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.364 -11.353 -3.290 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.660 -10.106 -4.347 1.00 3.91 H new ATOM 671 N SER A 44 -4.712 -11.358 -7.283 1.00 3.99 N ATOM 672 CA SER A 44 -5.174 -12.280 -8.366 1.00 4.72 C ATOM 673 C SER A 44 -6.546 -12.888 -8.027 1.00 5.55 C ATOM 674 O SER A 44 -7.261 -13.330 -8.908 1.00 6.08 O ATOM 675 CB SER A 44 -4.152 -13.407 -8.540 1.00 4.98 C ATOM 676 OG SER A 44 -3.134 -12.982 -9.437 1.00 5.08 O ATOM 0 H SER A 44 -3.818 -11.614 -6.864 1.00 3.99 H new ATOM 0 HA SER A 44 -5.268 -11.708 -9.289 1.00 4.72 H new ATOM 0 HB2 SER A 44 -3.717 -13.671 -7.576 1.00 4.98 H new ATOM 0 HB3 SER A 44 -4.642 -14.302 -8.925 1.00 4.98 H new ATOM 0 HG SER A 44 -2.527 -12.367 -8.975 1.00 5.08 H new ATOM 682 N ASP A 45 -6.922 -12.912 -6.767 1.00 5.91 N ATOM 683 CA ASP A 45 -8.243 -13.486 -6.384 1.00 7.02 C ATOM 684 C ASP A 45 -9.372 -12.465 -6.636 1.00 7.25 C ATOM 685 O ASP A 45 -10.480 -12.636 -6.158 1.00 8.19 O ATOM 686 CB ASP A 45 -8.222 -13.865 -4.899 1.00 7.64 C ATOM 687 CG ASP A 45 -7.206 -14.987 -4.667 1.00 8.01 C ATOM 688 OD1 ASP A 45 -7.591 -16.140 -4.768 1.00 7.89 O ATOM 689 OD2 ASP A 45 -6.058 -14.674 -4.393 1.00 8.63 O ATOM 0 H ASP A 45 -6.365 -12.556 -5.990 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.429 -14.372 -6.992 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -7.962 -12.995 -4.295 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -9.214 -14.188 -4.582 1.00 7.64 H new ATOM 694 N GLY A 46 -9.107 -11.407 -7.376 1.00 6.57 N ATOM 695 CA GLY A 46 -10.162 -10.388 -7.647 1.00 7.07 C ATOM 696 C GLY A 46 -10.344 -9.495 -6.418 1.00 6.74 C ATOM 697 O GLY A 46 -11.445 -9.079 -6.108 1.00 7.17 O ATOM 0 H GLY A 46 -8.201 -11.212 -7.802 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.884 -9.783 -8.510 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -11.103 -10.881 -7.893 1.00 7.07 H new ATOM 701 N ARG A 47 -9.277 -9.205 -5.709 1.00 6.21 N ATOM 702 CA ARG A 47 -9.395 -8.347 -4.494 1.00 6.07 C ATOM 703 C ARG A 47 -8.717 -6.992 -4.748 1.00 5.32 C ATOM 704 O ARG A 47 -7.897 -6.855 -5.634 1.00 5.06 O ATOM 705 CB ARG A 47 -8.707 -9.059 -3.325 1.00 6.43 C ATOM 706 CG ARG A 47 -9.259 -8.547 -1.989 1.00 7.27 C ATOM 707 CD ARG A 47 -10.488 -9.366 -1.590 1.00 7.96 C ATOM 708 NE ARG A 47 -10.662 -9.316 -0.109 1.00 8.82 N ATOM 709 CZ ARG A 47 -11.414 -8.392 0.433 1.00 9.62 C ATOM 710 NH1 ARG A 47 -12.710 -8.563 0.505 1.00 10.15 N ATOM 711 NH2 ARG A 47 -10.870 -7.299 0.902 1.00 10.10 N ATOM 0 H ARG A 47 -8.333 -9.527 -5.922 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.446 -8.176 -4.259 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -8.864 -10.135 -3.403 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.631 -8.890 -3.370 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.494 -8.622 -1.216 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -9.524 -7.493 -2.074 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -11.376 -8.972 -2.084 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -10.372 -10.399 -1.918 1.00 7.96 H new ATOM 0 HE ARG A 47 -10.194 -10.003 0.482 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -13.133 -9.416 0.139 1.00 10.15 H new ATOM 0 HH12 ARG A 47 -13.297 -7.843 0.927 1.00 10.15 H new ATOM 0 HH21 ARG A 47 -9.860 -7.167 0.845 1.00 10.10 H new ATOM 0 HH22 ARG A 47 -11.456 -6.579 1.324 1.00 10.10 H new ATOM 725 N GLU A 48 -9.053 -5.996 -3.966 1.00 5.24 N ATOM 726 CA GLU A 48 -8.427 -4.651 -4.133 1.00 4.73 C ATOM 727 C GLU A 48 -7.977 -4.160 -2.755 1.00 4.69 C ATOM 728 O GLU A 48 -8.790 -3.841 -1.905 1.00 5.44 O ATOM 729 CB GLU A 48 -9.443 -3.671 -4.733 1.00 5.60 C ATOM 730 CG GLU A 48 -8.705 -2.457 -5.307 1.00 5.76 C ATOM 731 CD GLU A 48 -9.432 -1.957 -6.559 1.00 6.79 C ATOM 732 OE1 GLU A 48 -10.325 -1.137 -6.415 1.00 7.44 O ATOM 733 OE2 GLU A 48 -9.081 -2.400 -7.641 1.00 7.12 O ATOM 0 H GLU A 48 -9.739 -6.059 -3.214 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.573 -4.715 -4.807 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -10.020 -4.163 -5.516 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -10.151 -3.351 -3.968 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -8.656 -1.663 -4.562 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -7.678 -2.727 -5.554 1.00 5.76 H new ATOM 740 N LEU A 49 -6.689 -4.122 -2.519 1.00 4.08 N ATOM 741 CA LEU A 49 -6.185 -3.679 -1.185 1.00 4.35 C ATOM 742 C LEU A 49 -5.240 -2.491 -1.342 1.00 3.99 C ATOM 743 O LEU A 49 -4.236 -2.577 -2.015 1.00 3.87 O ATOM 744 CB LEU A 49 -5.406 -4.823 -0.530 1.00 4.67 C ATOM 745 CG LEU A 49 -6.157 -5.350 0.695 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.275 -6.293 0.250 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.180 -6.115 1.592 1.00 4.69 C ATOM 0 H LEU A 49 -5.967 -4.378 -3.192 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.039 -3.392 -0.571 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.259 -5.629 -1.249 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.416 -4.475 -0.235 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.588 -4.513 1.243 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.807 -6.666 1.126 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.970 -5.755 -0.395 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.847 -7.132 -0.299 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.709 -6.493 2.467 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.754 -6.950 1.036 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.381 -5.447 1.912 1.00 4.69 H new ATOM 759 N CYS A 50 -5.524 -1.400 -0.685 1.00 3.99 N ATOM 760 CA CYS A 50 -4.609 -0.233 -0.762 1.00 3.63 C ATOM 761 C CYS A 50 -3.513 -0.453 0.271 1.00 3.49 C ATOM 762 O CYS A 50 -3.768 -0.934 1.357 1.00 4.14 O ATOM 763 CB CYS A 50 -5.348 1.052 -0.456 1.00 3.72 C ATOM 764 SG CYS A 50 -6.957 1.062 -1.297 1.00 4.64 S ATOM 0 H CYS A 50 -6.349 -1.269 -0.100 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.195 -0.145 -1.767 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.491 1.151 0.620 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -4.755 1.908 -0.779 1.00 3.72 H new ATOM 769 N LEU A 51 -2.298 -0.147 -0.065 1.00 2.91 N ATOM 770 CA LEU A 51 -1.181 -0.384 0.881 1.00 2.96 C ATOM 771 C LEU A 51 -0.788 0.896 1.611 1.00 3.35 C ATOM 772 O LEU A 51 -0.995 2.003 1.139 1.00 3.56 O ATOM 773 CB LEU A 51 0.024 -0.926 0.123 1.00 2.71 C ATOM 774 CG LEU A 51 -0.348 -2.198 -0.664 1.00 2.56 C ATOM 775 CD1 LEU A 51 0.891 -3.074 -0.817 1.00 2.98 C ATOM 776 CD2 LEU A 51 -1.423 -3.005 0.077 1.00 2.61 C ATOM 0 H LEU A 51 -2.028 0.260 -0.960 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.514 -1.110 1.622 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.399 -0.166 -0.562 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.829 -1.149 0.823 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.734 -1.898 -1.638 1.00 2.56 H new ATOM 0 HD11 LEU A 51 0.633 -3.975 -1.373 1.00 2.98 H new ATOM 0 HD12 LEU A 51 1.662 -2.523 -1.356 1.00 2.98 H new ATOM 0 HD13 LEU A 51 1.265 -3.351 0.169 1.00 2.98 H new ATOM 0 HD21 LEU A 51 -1.669 -3.898 -0.498 1.00 2.61 H new ATOM 0 HD22 LEU A 51 -1.047 -3.297 1.058 1.00 2.61 H new ATOM 0 HD23 LEU A 51 -2.317 -2.394 0.198 1.00 2.61 H new ATOM 788 N ASP A 52 -0.208 0.718 2.769 1.00 3.84 N ATOM 789 CA ASP A 52 0.232 1.865 3.608 1.00 4.35 C ATOM 790 C ASP A 52 1.757 2.030 3.492 1.00 4.47 C ATOM 791 O ASP A 52 2.504 1.148 3.879 1.00 4.73 O ATOM 792 CB ASP A 52 -0.138 1.573 5.072 1.00 4.93 C ATOM 793 CG ASP A 52 -0.245 2.878 5.880 1.00 5.39 C ATOM 794 OD1 ASP A 52 0.489 3.809 5.588 1.00 5.40 O ATOM 795 OD2 ASP A 52 -1.057 2.916 6.789 1.00 5.96 O ATOM 0 H ASP A 52 -0.018 -0.198 3.175 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.256 2.780 3.273 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -1.086 1.037 5.112 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.615 0.924 5.519 1.00 4.93 H new ATOM 800 N PRO A 53 2.181 3.168 2.982 1.00 4.54 N ATOM 801 CA PRO A 53 3.618 3.472 2.821 1.00 4.96 C ATOM 802 C PRO A 53 4.297 3.687 4.187 1.00 5.21 C ATOM 803 O PRO A 53 5.504 3.814 4.267 1.00 5.67 O ATOM 804 CB PRO A 53 3.628 4.743 1.964 1.00 5.26 C ATOM 805 CG PRO A 53 2.237 5.393 2.132 1.00 5.04 C ATOM 806 CD PRO A 53 1.280 4.261 2.545 1.00 4.55 C ATOM 0 HA PRO A 53 4.177 2.660 2.356 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.416 5.423 2.287 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.822 4.505 0.918 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.263 6.177 2.889 1.00 5.04 H new ATOM 0 HG3 PRO A 53 1.910 5.859 1.202 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.615 4.575 3.349 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.649 3.949 1.713 1.00 4.55 H new ATOM 814 N LYS A 54 3.533 3.707 5.262 1.00 5.18 N ATOM 815 CA LYS A 54 4.126 3.886 6.614 1.00 5.61 C ATOM 816 C LYS A 54 5.068 2.714 6.930 1.00 5.02 C ATOM 817 O LYS A 54 6.035 2.872 7.653 1.00 5.42 O ATOM 818 CB LYS A 54 3.009 3.933 7.662 1.00 6.23 C ATOM 819 CG LYS A 54 2.593 5.388 7.903 1.00 7.12 C ATOM 820 CD LYS A 54 1.194 5.431 8.528 1.00 7.85 C ATOM 821 CE LYS A 54 1.289 5.180 10.036 1.00 8.63 C ATOM 822 NZ LYS A 54 1.677 6.442 10.735 1.00 9.56 N ATOM 0 H LYS A 54 2.518 3.605 5.250 1.00 5.18 H new ATOM 0 HA LYS A 54 4.689 4.819 6.635 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.153 3.351 7.322 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.351 3.483 8.594 1.00 6.23 H new ATOM 0 HG2 LYS A 54 3.311 5.877 8.562 1.00 7.12 H new ATOM 0 HG3 LYS A 54 2.598 5.938 6.962 1.00 7.12 H new ATOM 0 HD2 LYS A 54 0.732 6.400 8.340 1.00 7.85 H new ATOM 0 HD3 LYS A 54 0.556 4.678 8.065 1.00 7.85 H new ATOM 0 HE2 LYS A 54 0.332 4.823 10.416 1.00 8.63 H new ATOM 0 HE3 LYS A 54 2.023 4.400 10.239 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 2.158 6.211 11.628 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 2.319 6.992 10.128 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 0.825 7.003 10.936 1.00 9.56 H new ATOM 836 N GLU A 55 4.801 1.540 6.391 1.00 4.37 N ATOM 837 CA GLU A 55 5.688 0.374 6.661 1.00 4.14 C ATOM 838 C GLU A 55 6.850 0.374 5.670 1.00 3.84 C ATOM 839 O GLU A 55 6.886 1.143 4.727 1.00 3.83 O ATOM 840 CB GLU A 55 4.898 -0.928 6.497 1.00 4.19 C ATOM 841 CG GLU A 55 4.151 -1.251 7.795 1.00 4.76 C ATOM 842 CD GLU A 55 4.616 -2.603 8.349 1.00 5.39 C ATOM 843 OE1 GLU A 55 5.799 -2.740 8.619 1.00 6.13 O ATOM 844 OE2 GLU A 55 3.780 -3.479 8.501 1.00 5.43 O ATOM 0 H GLU A 55 4.008 1.348 5.779 1.00 4.37 H new ATOM 0 HA GLU A 55 6.069 0.447 7.680 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.190 -0.833 5.674 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.574 -1.744 6.243 1.00 4.19 H new ATOM 0 HG2 GLU A 55 4.329 -0.467 8.531 1.00 4.76 H new ATOM 0 HG3 GLU A 55 3.077 -1.275 7.609 1.00 4.76 H new ATOM 851 N ASN A 56 7.788 -0.504 5.877 1.00 3.90 N ATOM 852 CA ASN A 56 8.958 -0.603 4.958 1.00 3.93 C ATOM 853 C ASN A 56 8.721 -1.729 3.946 1.00 3.74 C ATOM 854 O ASN A 56 9.394 -1.812 2.935 1.00 3.89 O ATOM 855 CB ASN A 56 10.210 -0.900 5.769 1.00 4.29 C ATOM 856 CG ASN A 56 11.193 0.270 5.658 1.00 4.70 C ATOM 857 OD1 ASN A 56 10.851 1.398 5.957 1.00 4.90 O ATOM 858 ND2 ASN A 56 12.409 0.048 5.241 1.00 5.15 N ATOM 0 H ASN A 56 7.796 -1.166 6.653 1.00 3.90 H new ATOM 0 HA ASN A 56 9.085 0.339 4.424 1.00 3.93 H new ATOM 0 HB2 ASN A 56 9.946 -1.067 6.813 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.679 -1.816 5.408 1.00 4.29 H new ATOM 0 HD21 ASN A 56 13.071 0.820 5.166 1.00 5.15 H new ATOM 0 HD22 ASN A 56 12.697 -0.898 4.990 1.00 5.15 H new ATOM 865 N TRP A 57 7.766 -2.593 4.209 1.00 3.55 N ATOM 866 CA TRP A 57 7.473 -3.705 3.278 1.00 3.47 C ATOM 867 C TRP A 57 6.614 -3.190 2.125 1.00 3.28 C ATOM 868 O TRP A 57 6.772 -3.608 1.000 1.00 3.48 O ATOM 869 CB TRP A 57 6.758 -4.831 4.032 1.00 3.64 C ATOM 870 CG TRP A 57 5.346 -4.476 4.359 1.00 3.70 C ATOM 871 CD1 TRP A 57 4.934 -4.029 5.551 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.157 -4.553 3.517 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.568 -3.851 5.515 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.043 -4.146 4.282 1.00 3.80 C ATOM 875 CE3 TRP A 57 3.940 -4.933 2.184 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.755 -4.117 3.748 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.647 -4.901 1.641 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.557 -4.496 2.420 1.00 3.38 C ATOM 0 H TRP A 57 7.177 -2.565 5.041 1.00 3.55 H new ATOM 0 HA TRP A 57 8.402 -4.101 2.868 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.773 -5.738 3.428 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.299 -5.052 4.952 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.569 -3.839 6.403 1.00 4.08 H new ATOM 0 HE1 TRP A 57 3.013 -3.537 6.311 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.772 -5.251 1.573 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 0.919 -3.804 4.356 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.491 -5.191 0.613 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.565 -4.477 1.994 1.00 3.38 H new ATOM 889 N VAL A 58 5.718 -2.277 2.398 1.00 3.02 N ATOM 890 CA VAL A 58 4.859 -1.718 1.312 1.00 2.84 C ATOM 891 C VAL A 58 5.755 -0.969 0.316 1.00 2.99 C ATOM 892 O VAL A 58 5.613 -1.110 -0.883 1.00 3.21 O ATOM 893 CB VAL A 58 3.831 -0.760 1.932 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.413 0.313 0.925 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.595 -1.544 2.368 1.00 2.85 C ATOM 0 H VAL A 58 5.544 -1.894 3.327 1.00 3.02 H new ATOM 0 HA VAL A 58 4.329 -2.515 0.791 1.00 2.84 H new ATOM 0 HB VAL A 58 4.290 -0.276 2.794 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.685 0.980 1.386 1.00 2.80 H new ATOM 0 HG12 VAL A 58 4.288 0.886 0.620 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.968 -0.162 0.051 1.00 2.80 H new ATOM 0 HG21 VAL A 58 1.868 -0.862 2.807 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.153 -2.037 1.502 1.00 2.85 H new ATOM 0 HG23 VAL A 58 2.881 -2.294 3.106 1.00 2.85 H new ATOM 905 N GLN A 59 6.684 -0.185 0.812 1.00 3.12 N ATOM 906 CA GLN A 59 7.602 0.566 -0.089 1.00 3.61 C ATOM 907 C GLN A 59 8.628 -0.400 -0.712 1.00 3.90 C ATOM 908 O GLN A 59 9.118 -0.170 -1.803 1.00 4.47 O ATOM 909 CB GLN A 59 8.310 1.664 0.700 1.00 3.82 C ATOM 910 CG GLN A 59 9.134 1.031 1.808 1.00 4.33 C ATOM 911 CD GLN A 59 9.814 2.121 2.642 1.00 4.72 C ATOM 912 OE1 GLN A 59 11.017 2.284 2.583 1.00 4.84 O ATOM 913 NE2 GLN A 59 9.091 2.878 3.424 1.00 5.29 N ATOM 0 H GLN A 59 6.843 -0.036 1.808 1.00 3.12 H new ATOM 0 HA GLN A 59 7.027 1.027 -0.892 1.00 3.61 H new ATOM 0 HB2 GLN A 59 8.953 2.246 0.040 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.579 2.354 1.123 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.494 0.420 2.445 1.00 4.33 H new ATOM 0 HG3 GLN A 59 9.885 0.367 1.380 1.00 4.33 H new ATOM 0 HE21 GLN A 59 8.081 2.742 3.474 1.00 5.29 H new ATOM 0 HE22 GLN A 59 9.536 3.605 3.984 1.00 5.29 H new ATOM 922 N ARG A 60 8.927 -1.496 -0.043 1.00 3.65 N ATOM 923 CA ARG A 60 9.887 -2.492 -0.609 1.00 3.97 C ATOM 924 C ARG A 60 9.140 -3.320 -1.654 1.00 3.96 C ATOM 925 O ARG A 60 9.646 -3.590 -2.727 1.00 4.42 O ATOM 926 CB ARG A 60 10.396 -3.419 0.501 1.00 4.07 C ATOM 927 CG ARG A 60 11.803 -2.995 0.930 1.00 4.60 C ATOM 928 CD ARG A 60 12.394 -4.061 1.859 1.00 4.81 C ATOM 929 NE ARG A 60 13.849 -4.227 1.574 1.00 5.26 N ATOM 930 CZ ARG A 60 14.649 -4.674 2.507 1.00 5.84 C ATOM 931 NH1 ARG A 60 14.762 -5.962 2.709 1.00 6.25 N ATOM 932 NH2 ARG A 60 15.335 -3.833 3.236 1.00 6.35 N ATOM 0 H ARG A 60 8.544 -1.738 0.871 1.00 3.65 H new ATOM 0 HA ARG A 60 10.739 -1.980 -1.056 1.00 3.97 H new ATOM 0 HB2 ARG A 60 9.720 -3.383 1.355 1.00 4.07 H new ATOM 0 HB3 ARG A 60 10.409 -4.450 0.148 1.00 4.07 H new ATOM 0 HG2 ARG A 60 12.439 -2.867 0.054 1.00 4.60 H new ATOM 0 HG3 ARG A 60 11.765 -2.033 1.440 1.00 4.60 H new ATOM 0 HD2 ARG A 60 12.248 -3.771 2.900 1.00 4.81 H new ATOM 0 HD3 ARG A 60 11.875 -5.009 1.717 1.00 4.81 H new ATOM 0 HE ARG A 60 14.219 -3.992 0.653 1.00 5.26 H new ATOM 0 HH11 ARG A 60 14.226 -6.617 2.139 1.00 6.25 H new ATOM 0 HH12 ARG A 60 15.386 -6.311 3.436 1.00 6.25 H new ATOM 0 HH21 ARG A 60 15.246 -2.829 3.077 1.00 6.35 H new ATOM 0 HH22 ARG A 60 15.959 -4.180 3.964 1.00 6.35 H new ATOM 946 N VAL A 61 7.924 -3.704 -1.341 1.00 3.58 N ATOM 947 CA VAL A 61 7.095 -4.496 -2.296 1.00 3.55 C ATOM 948 C VAL A 61 6.859 -3.664 -3.562 1.00 3.25 C ATOM 949 O VAL A 61 6.960 -4.162 -4.667 1.00 3.52 O ATOM 950 CB VAL A 61 5.757 -4.833 -1.619 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.717 -5.251 -2.658 1.00 3.56 C ATOM 952 CG2 VAL A 61 5.968 -5.977 -0.623 1.00 4.31 C ATOM 0 H VAL A 61 7.468 -3.498 -0.452 1.00 3.58 H new ATOM 0 HA VAL A 61 7.602 -5.420 -2.572 1.00 3.55 H new ATOM 0 HB VAL A 61 5.394 -3.946 -1.099 1.00 3.59 H new ATOM 0 HG11 VAL A 61 3.777 -5.485 -2.158 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.559 -4.435 -3.364 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.072 -6.131 -3.194 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.021 -6.219 -0.141 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.341 -6.855 -1.151 1.00 4.31 H new ATOM 0 HG23 VAL A 61 6.693 -5.673 0.132 1.00 4.31 H new ATOM 962 N VAL A 62 6.562 -2.396 -3.402 1.00 2.99 N ATOM 963 CA VAL A 62 6.336 -1.511 -4.585 1.00 3.22 C ATOM 964 C VAL A 62 7.644 -1.397 -5.384 1.00 3.80 C ATOM 965 O VAL A 62 7.630 -1.360 -6.597 1.00 4.15 O ATOM 966 CB VAL A 62 5.885 -0.120 -4.107 1.00 3.53 C ATOM 967 CG1 VAL A 62 5.935 0.883 -5.266 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.450 -0.203 -3.574 1.00 3.34 C ATOM 0 H VAL A 62 6.466 -1.935 -2.497 1.00 2.99 H new ATOM 0 HA VAL A 62 5.560 -1.934 -5.223 1.00 3.22 H new ATOM 0 HB VAL A 62 6.556 0.215 -3.316 1.00 3.53 H new ATOM 0 HG11 VAL A 62 5.613 1.863 -4.913 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.955 0.951 -5.645 1.00 4.40 H new ATOM 0 HG13 VAL A 62 5.273 0.549 -6.065 1.00 4.40 H new ATOM 0 HG21 VAL A 62 4.130 0.782 -3.235 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.786 -0.547 -4.367 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.412 -0.904 -2.740 1.00 3.34 H new ATOM 978 N GLU A 63 8.773 -1.349 -4.711 1.00 4.04 N ATOM 979 CA GLU A 63 10.075 -1.247 -5.428 1.00 4.68 C ATOM 980 C GLU A 63 10.349 -2.547 -6.188 1.00 4.70 C ATOM 981 O GLU A 63 10.674 -2.524 -7.357 1.00 5.23 O ATOM 982 CB GLU A 63 11.205 -0.996 -4.422 1.00 5.11 C ATOM 983 CG GLU A 63 11.689 0.451 -4.543 1.00 5.73 C ATOM 984 CD GLU A 63 12.939 0.648 -3.681 1.00 6.00 C ATOM 985 OE1 GLU A 63 12.785 0.888 -2.494 1.00 6.46 O ATOM 986 OE2 GLU A 63 14.029 0.558 -4.223 1.00 6.04 O ATOM 0 H GLU A 63 8.842 -1.377 -3.694 1.00 4.04 H new ATOM 0 HA GLU A 63 10.029 -0.417 -6.133 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.853 -1.189 -3.409 1.00 5.11 H new ATOM 0 HB3 GLU A 63 12.031 -1.683 -4.608 1.00 5.11 H new ATOM 0 HG2 GLU A 63 11.912 0.685 -5.584 1.00 5.73 H new ATOM 0 HG3 GLU A 63 10.903 1.136 -4.224 1.00 5.73 H new ATOM 993 N LYS A 64 10.214 -3.681 -5.538 1.00 4.35 N ATOM 994 CA LYS A 64 10.461 -4.981 -6.225 1.00 4.71 C ATOM 995 C LYS A 64 9.454 -5.169 -7.370 1.00 4.54 C ATOM 996 O LYS A 64 9.764 -5.767 -8.385 1.00 5.00 O ATOM 997 CB LYS A 64 10.312 -6.128 -5.218 1.00 4.74 C ATOM 998 CG LYS A 64 11.301 -7.245 -5.563 1.00 5.62 C ATOM 999 CD LYS A 64 11.060 -8.444 -4.641 1.00 6.24 C ATOM 1000 CE LYS A 64 12.122 -9.517 -4.906 1.00 7.07 C ATOM 1001 NZ LYS A 64 13.262 -9.341 -3.960 1.00 7.79 N ATOM 0 H LYS A 64 9.942 -3.757 -4.558 1.00 4.35 H new ATOM 0 HA LYS A 64 11.471 -4.983 -6.634 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.496 -5.764 -4.207 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.292 -6.512 -5.237 1.00 4.74 H new ATOM 0 HG2 LYS A 64 11.180 -7.543 -6.604 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.324 -6.887 -5.451 1.00 5.62 H new ATOM 0 HD2 LYS A 64 11.100 -8.128 -3.599 1.00 6.24 H new ATOM 0 HD3 LYS A 64 10.064 -8.853 -4.812 1.00 6.24 H new ATOM 0 HE2 LYS A 64 11.688 -10.510 -4.786 1.00 7.07 H new ATOM 0 HE3 LYS A 64 12.476 -9.446 -5.934 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 13.980 -10.070 -4.143 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 13.683 -8.399 -4.095 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 12.919 -9.430 -2.982 1.00 7.79 H new ATOM 1015 N PHE A 65 8.252 -4.663 -7.211 1.00 4.02 N ATOM 1016 CA PHE A 65 7.215 -4.804 -8.272 1.00 3.99 C ATOM 1017 C PHE A 65 7.450 -3.765 -9.380 1.00 4.72 C ATOM 1018 O PHE A 65 7.382 -4.075 -10.553 1.00 5.31 O ATOM 1019 CB PHE A 65 5.841 -4.575 -7.635 1.00 3.16 C ATOM 1020 CG PHE A 65 4.778 -5.333 -8.398 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.495 -4.998 -9.727 1.00 2.97 C ATOM 1022 CD2 PHE A 65 4.077 -6.371 -7.775 1.00 3.45 C ATOM 1023 CE1 PHE A 65 3.512 -5.699 -10.432 1.00 3.10 C ATOM 1024 CE2 PHE A 65 3.093 -7.072 -8.481 1.00 3.48 C ATOM 1025 CZ PHE A 65 2.810 -6.737 -9.809 1.00 3.19 C ATOM 0 H PHE A 65 7.947 -4.154 -6.381 1.00 4.02 H new ATOM 0 HA PHE A 65 7.267 -5.800 -8.712 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.855 -4.902 -6.595 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.607 -3.510 -7.631 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.036 -4.197 -10.209 1.00 2.97 H new ATOM 0 HD2 PHE A 65 4.295 -6.631 -6.750 1.00 3.45 H new ATOM 0 HE1 PHE A 65 3.294 -5.439 -11.458 1.00 3.10 H new ATOM 0 HE2 PHE A 65 2.551 -7.873 -8.000 1.00 3.48 H new ATOM 0 HZ PHE A 65 2.051 -7.279 -10.353 1.00 3.19 H new ATOM 1035 N LEU A 66 7.718 -2.533 -9.012 1.00 4.92 N ATOM 1036 CA LEU A 66 7.948 -1.461 -10.034 1.00 5.86 C ATOM 1037 C LEU A 66 9.305 -1.660 -10.730 1.00 6.61 C ATOM 1038 O LEU A 66 9.457 -1.330 -11.891 1.00 7.33 O ATOM 1039 CB LEU A 66 7.925 -0.088 -9.350 1.00 6.18 C ATOM 1040 CG LEU A 66 7.516 0.987 -10.362 1.00 7.14 C ATOM 1041 CD1 LEU A 66 6.004 1.212 -10.290 1.00 7.61 C ATOM 1042 CD2 LEU A 66 8.242 2.296 -10.037 1.00 7.67 C ATOM 0 H LEU A 66 7.788 -2.223 -8.043 1.00 4.92 H new ATOM 0 HA LEU A 66 7.157 -1.517 -10.782 1.00 5.86 H new ATOM 0 HB2 LEU A 66 7.225 -0.099 -8.514 1.00 6.18 H new ATOM 0 HB3 LEU A 66 8.908 0.141 -8.939 1.00 6.18 H new ATOM 0 HG LEU A 66 7.786 0.660 -11.366 1.00 7.14 H new ATOM 0 HD11 LEU A 66 5.715 1.977 -11.011 1.00 7.61 H new ATOM 0 HD12 LEU A 66 5.486 0.281 -10.522 1.00 7.61 H new ATOM 0 HD13 LEU A 66 5.732 1.538 -9.286 1.00 7.61 H new ATOM 0 HD21 LEU A 66 7.952 3.061 -10.757 1.00 7.67 H new ATOM 0 HD22 LEU A 66 7.973 2.622 -9.032 1.00 7.67 H new ATOM 0 HD23 LEU A 66 9.319 2.138 -10.091 1.00 7.67 H new ATOM 1054 N LYS A 67 10.289 -2.185 -10.028 1.00 6.57 N ATOM 1055 CA LYS A 67 11.644 -2.398 -10.642 1.00 7.47 C ATOM 1056 C LYS A 67 11.517 -3.117 -11.996 1.00 7.85 C ATOM 1057 O LYS A 67 12.049 -2.661 -12.991 1.00 8.14 O ATOM 1058 CB LYS A 67 12.509 -3.243 -9.694 1.00 7.84 C ATOM 1059 CG LYS A 67 13.929 -3.377 -10.259 1.00 8.78 C ATOM 1060 CD LYS A 67 14.628 -2.014 -10.232 1.00 9.42 C ATOM 1061 CE LYS A 67 16.140 -2.205 -10.391 1.00 10.12 C ATOM 1062 NZ LYS A 67 16.490 -2.276 -11.841 1.00 10.40 N ATOM 0 H LYS A 67 10.210 -2.476 -9.053 1.00 6.57 H new ATOM 0 HA LYS A 67 12.111 -1.427 -10.803 1.00 7.47 H new ATOM 0 HB2 LYS A 67 12.543 -2.779 -8.708 1.00 7.84 H new ATOM 0 HB3 LYS A 67 12.065 -4.230 -9.566 1.00 7.84 H new ATOM 0 HG2 LYS A 67 14.497 -4.099 -9.673 1.00 8.78 H new ATOM 0 HG3 LYS A 67 13.890 -3.756 -11.280 1.00 8.78 H new ATOM 0 HD2 LYS A 67 14.245 -1.382 -11.034 1.00 9.42 H new ATOM 0 HD3 LYS A 67 14.413 -1.503 -9.294 1.00 9.42 H new ATOM 0 HE2 LYS A 67 16.672 -1.379 -9.919 1.00 10.12 H new ATOM 0 HE3 LYS A 67 16.456 -3.118 -9.886 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 17.517 -2.406 -11.944 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 15.994 -3.078 -12.279 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 16.203 -1.394 -12.311 1.00 10.40 H new ATOM 1076 N ARG A 68 10.823 -4.231 -12.041 1.00 8.12 N ATOM 1077 CA ARG A 68 10.670 -4.970 -13.336 1.00 8.78 C ATOM 1078 C ARG A 68 9.193 -5.274 -13.600 1.00 8.99 C ATOM 1079 O ARG A 68 8.406 -5.441 -12.685 1.00 8.81 O ATOM 1080 CB ARG A 68 11.462 -6.289 -13.315 1.00 9.33 C ATOM 1081 CG ARG A 68 11.659 -6.786 -11.876 1.00 9.61 C ATOM 1082 CD ARG A 68 11.937 -8.293 -11.890 1.00 10.05 C ATOM 1083 NE ARG A 68 13.376 -8.534 -12.203 1.00 10.53 N ATOM 1084 CZ ARG A 68 14.083 -9.339 -11.455 1.00 10.90 C ATOM 1085 NH1 ARG A 68 14.052 -10.629 -11.672 1.00 11.02 N ATOM 1086 NH2 ARG A 68 14.822 -8.855 -10.491 1.00 11.35 N ATOM 0 H ARG A 68 10.358 -4.659 -11.240 1.00 8.12 H new ATOM 0 HA ARG A 68 11.062 -4.336 -14.131 1.00 8.78 H new ATOM 0 HB2 ARG A 68 10.933 -7.045 -13.896 1.00 9.33 H new ATOM 0 HB3 ARG A 68 12.432 -6.143 -13.790 1.00 9.33 H new ATOM 0 HG2 ARG A 68 12.489 -6.257 -11.407 1.00 9.61 H new ATOM 0 HG3 ARG A 68 10.770 -6.575 -11.282 1.00 9.61 H new ATOM 0 HD2 ARG A 68 11.687 -8.728 -10.922 1.00 10.05 H new ATOM 0 HD3 ARG A 68 11.306 -8.782 -12.632 1.00 10.05 H new ATOM 0 HE ARG A 68 13.808 -8.070 -13.002 1.00 10.53 H new ATOM 0 HH11 ARG A 68 13.476 -11.006 -12.425 1.00 11.02 H new ATOM 0 HH12 ARG A 68 14.604 -11.258 -11.088 1.00 11.02 H new ATOM 0 HH21 ARG A 68 14.846 -7.849 -10.323 1.00 11.35 H new ATOM 0 HH22 ARG A 68 15.374 -9.483 -9.907 1.00 11.35 H new ATOM 1100 N ALA A 69 8.820 -5.352 -14.854 1.00 9.61 N ATOM 1101 CA ALA A 69 7.398 -5.648 -15.213 1.00 10.14 C ATOM 1102 C ALA A 69 7.317 -6.036 -16.694 1.00 10.89 C ATOM 1103 O ALA A 69 7.880 -5.377 -17.547 1.00 11.20 O ATOM 1104 CB ALA A 69 6.533 -4.407 -14.962 1.00 10.08 C ATOM 0 H ALA A 69 9.444 -5.222 -15.650 1.00 9.61 H new ATOM 0 HA ALA A 69 7.034 -6.472 -14.599 1.00 10.14 H new ATOM 0 HB1 ALA A 69 5.498 -4.626 -15.224 1.00 10.08 H new ATOM 0 HB2 ALA A 69 6.590 -4.131 -13.909 1.00 10.08 H new ATOM 0 HB3 ALA A 69 6.896 -3.581 -15.574 1.00 10.08 H new ATOM 1110 N GLU A 70 6.620 -7.103 -17.004 1.00 11.37 N ATOM 1111 CA GLU A 70 6.499 -7.542 -18.431 1.00 12.24 C ATOM 1112 C GLU A 70 5.339 -6.800 -19.113 1.00 12.45 C ATOM 1113 O GLU A 70 4.533 -6.160 -18.460 1.00 12.32 O ATOM 1114 CB GLU A 70 6.250 -9.056 -18.491 1.00 12.79 C ATOM 1115 CG GLU A 70 4.947 -9.409 -17.761 1.00 12.48 C ATOM 1116 CD GLU A 70 4.333 -10.664 -18.387 1.00 13.18 C ATOM 1117 OE1 GLU A 70 4.761 -11.751 -18.033 1.00 13.39 O ATOM 1118 OE2 GLU A 70 3.443 -10.517 -19.209 1.00 13.63 O ATOM 0 H GLU A 70 6.129 -7.690 -16.330 1.00 11.37 H new ATOM 0 HA GLU A 70 7.427 -7.309 -18.952 1.00 12.24 H new ATOM 0 HB2 GLU A 70 6.193 -9.381 -19.530 1.00 12.79 H new ATOM 0 HB3 GLU A 70 7.086 -9.588 -18.036 1.00 12.79 H new ATOM 0 HG2 GLU A 70 5.145 -9.578 -16.703 1.00 12.48 H new ATOM 0 HG3 GLU A 70 4.245 -8.577 -17.825 1.00 12.48 H new ATOM 1125 N ASN A 71 5.255 -6.889 -20.423 1.00 12.96 N ATOM 1126 CA ASN A 71 4.157 -6.203 -21.179 1.00 13.39 C ATOM 1127 C ASN A 71 4.208 -4.689 -20.920 1.00 13.77 C ATOM 1128 O ASN A 71 3.463 -4.158 -20.114 1.00 13.98 O ATOM 1129 CB ASN A 71 2.795 -6.767 -20.743 1.00 13.14 C ATOM 1130 CG ASN A 71 2.337 -7.834 -21.742 1.00 12.70 C ATOM 1131 OD1 ASN A 71 2.754 -8.972 -21.667 1.00 12.77 O ATOM 1132 ND2 ASN A 71 1.489 -7.512 -22.683 1.00 12.41 N ATOM 0 H ASN A 71 5.908 -7.414 -21.005 1.00 12.96 H new ATOM 0 HA ASN A 71 4.291 -6.382 -22.246 1.00 13.39 H new ATOM 0 HB2 ASN A 71 2.871 -7.198 -19.745 1.00 13.14 H new ATOM 0 HB3 ASN A 71 2.059 -5.965 -20.689 1.00 13.14 H new ATOM 0 HD21 ASN A 71 1.179 -8.216 -23.353 1.00 12.41 H new ATOM 0 HD22 ASN A 71 1.138 -6.557 -22.748 1.00 12.41 H new ATOM 1139 N SER A 72 5.085 -3.990 -21.602 1.00 14.02 N ATOM 1140 CA SER A 72 5.195 -2.512 -21.404 1.00 14.59 C ATOM 1141 C SER A 72 4.089 -1.802 -22.200 1.00 15.09 C ATOM 1142 O SER A 72 3.196 -1.258 -21.572 1.00 15.38 O ATOM 1143 CB SER A 72 6.572 -2.032 -21.877 1.00 14.66 C ATOM 1144 OG SER A 72 6.856 -0.770 -21.286 1.00 14.60 O ATOM 1145 OXT SER A 72 4.151 -1.817 -23.421 1.00 15.30 O ATOM 0 H SER A 72 5.730 -4.382 -22.288 1.00 14.02 H new ATOM 0 HA SER A 72 5.079 -2.277 -20.346 1.00 14.59 H new ATOM 0 HB2 SER A 72 7.338 -2.757 -21.601 1.00 14.66 H new ATOM 0 HB3 SER A 72 6.588 -1.950 -22.964 1.00 14.66 H new ATOM 0 HG SER A 72 7.736 -0.460 -21.584 1.00 14.60 H new TER 1151 SER A 72