USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 4 ASN : amide:sc= -1.44 K(o=-3,f=-7.8!) USER MOD Set 1.2: A 60 ASN : amide:sc= -1.57! C(o=-3!,f=-19!) USER MOD Set 2.1: A 24 MET CE :methyl -141:sc= -4.59! (180deg=-4.23!) USER MOD Set 2.2: A 51 TYR OH : rot 165:sc= -0.0125 USER MOD Set 3.1: A 1 LEU N :NH3+ 133:sc= 0.404 (180deg=0) USER MOD Set 3.2: A 19 ASN : amide:sc= -0.549 K(o=-0.15,f=-5!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= -0.698 (180deg=-0.716) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -102:sc= 0.959 (180deg=-1.73) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.54 K(o=-2.5,f=-6.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.344 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.81! USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.604 12.149 -2.390 1.00 0.00 N ATOM 2 CA LEU A 1 5.575 11.219 -1.274 1.00 0.00 C ATOM 3 C LEU A 1 6.471 10.020 -1.592 1.00 0.00 C ATOM 4 O LEU A 1 6.679 9.688 -2.758 1.00 0.00 O ATOM 5 CB LEU A 1 4.134 10.836 -0.931 1.00 0.00 C ATOM 6 CG LEU A 1 3.609 11.340 0.415 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.299 12.112 0.237 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.464 10.189 1.412 1.00 0.00 C ATOM 0 H1 LEU A 1 4.633 12.438 -2.626 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.161 12.987 -2.129 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.038 11.688 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 1 5.977 11.689 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.481 11.214 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.054 9.749 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 1 4.340 12.035 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.947 12.460 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.467 12.969 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.549 11.458 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.089 10.574 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.764 9.452 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.435 9.719 1.569 1.00 0.00 H new ATOM 20 N LYS A 2 6.977 9.402 -0.534 1.00 0.00 N ATOM 21 CA LYS A 2 7.845 8.248 -0.687 1.00 0.00 C ATOM 22 C LYS A 2 7.092 6.988 -0.253 1.00 0.00 C ATOM 23 O LYS A 2 6.710 6.859 0.909 1.00 0.00 O ATOM 24 CB LYS A 2 9.162 8.465 0.062 1.00 0.00 C ATOM 25 CG LYS A 2 9.888 9.709 -0.455 1.00 0.00 C ATOM 26 CD LYS A 2 11.404 9.557 -0.313 1.00 0.00 C ATOM 27 CE LYS A 2 11.988 10.683 0.544 1.00 0.00 C ATOM 28 NZ LYS A 2 13.199 11.245 -0.095 1.00 0.00 N ATOM 0 H LYS A 2 6.802 9.679 0.432 1.00 0.00 H new ATOM 0 HA LYS A 2 8.118 8.113 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.965 8.572 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.801 7.590 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.632 9.875 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.553 10.586 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.636 8.593 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.868 9.567 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.244 11.468 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.236 10.303 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.583 12.008 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.914 10.497 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.953 11.626 -1.031 1.00 0.00 H new ATOM 42 N CYS A 3 6.901 6.093 -1.211 1.00 0.00 N ATOM 43 CA CYS A 3 6.199 4.848 -0.942 1.00 0.00 C ATOM 44 C CYS A 3 7.194 3.695 -1.092 1.00 0.00 C ATOM 45 O CYS A 3 8.120 3.770 -1.899 1.00 0.00 O ATOM 46 CB CYS A 3 4.983 4.676 -1.854 1.00 0.00 C ATOM 47 SG CYS A 3 3.993 6.193 -2.107 1.00 0.00 S ATOM 0 H CYS A 3 7.219 6.204 -2.174 1.00 0.00 H new ATOM 0 HA CYS A 3 5.808 4.859 0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.323 4.315 -2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.338 3.904 -1.434 1.00 0.00 H new ATOM 52 N ASN A 4 6.969 2.655 -0.303 1.00 0.00 N ATOM 53 CA ASN A 4 7.834 1.487 -0.338 1.00 0.00 C ATOM 54 C ASN A 4 7.178 0.398 -1.189 1.00 0.00 C ATOM 55 O ASN A 4 5.991 0.479 -1.501 1.00 0.00 O ATOM 56 CB ASN A 4 8.053 0.923 1.066 1.00 0.00 C ATOM 57 CG ASN A 4 8.315 2.043 2.075 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.769 3.124 1.737 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.003 1.727 3.328 1.00 0.00 N ATOM 0 H ASN A 4 6.200 2.596 0.365 1.00 0.00 H new ATOM 0 HA ASN A 4 8.793 1.789 -0.759 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.177 0.351 1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.897 0.233 1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.140 2.408 4.075 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.627 0.804 3.542 1.00 0.00 H new ATOM 66 N LYS A 5 7.981 -0.595 -1.542 1.00 0.00 N ATOM 67 CA LYS A 5 7.493 -1.699 -2.351 1.00 0.00 C ATOM 68 C LYS A 5 7.041 -2.837 -1.435 1.00 0.00 C ATOM 69 O LYS A 5 6.719 -2.610 -0.270 1.00 0.00 O ATOM 70 CB LYS A 5 8.548 -2.117 -3.377 1.00 0.00 C ATOM 71 CG LYS A 5 9.171 -0.894 -4.054 1.00 0.00 C ATOM 72 CD LYS A 5 10.646 -0.750 -3.676 1.00 0.00 C ATOM 73 CE LYS A 5 11.553 -1.266 -4.794 1.00 0.00 C ATOM 74 NZ LYS A 5 11.705 -2.736 -4.703 1.00 0.00 N ATOM 0 H LYS A 5 8.966 -0.658 -1.283 1.00 0.00 H new ATOM 0 HA LYS A 5 6.622 -1.392 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.326 -2.701 -2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.093 -2.761 -4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.076 -0.985 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.628 0.004 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.872 0.297 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.845 -1.302 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.133 -0.997 -5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.531 -0.789 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.324 -3.069 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.126 -2.985 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.772 -3.188 -4.790 1.00 0.00 H new ATOM 88 N LEU A 6 7.032 -4.038 -1.995 1.00 0.00 N ATOM 89 CA LEU A 6 6.625 -5.212 -1.242 1.00 0.00 C ATOM 90 C LEU A 6 7.384 -5.250 0.085 1.00 0.00 C ATOM 91 O LEU A 6 6.839 -5.671 1.104 1.00 0.00 O ATOM 92 CB LEU A 6 6.798 -6.476 -2.087 1.00 0.00 C ATOM 93 CG LEU A 6 6.350 -7.785 -1.434 1.00 0.00 C ATOM 94 CD1 LEU A 6 5.671 -8.702 -2.454 1.00 0.00 C ATOM 95 CD2 LEU A 6 7.521 -8.476 -0.732 1.00 0.00 C ATOM 0 H LEU A 6 7.300 -4.223 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 6 5.563 -5.161 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.242 -6.347 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.850 -6.568 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 6 5.610 -7.550 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.362 -9.625 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.796 -8.201 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.370 -8.934 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.176 -9.404 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.302 -8.698 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.921 -7.819 0.040 1.00 0.00 H new ATOM 107 N VAL A 7 8.631 -4.804 0.029 1.00 0.00 N ATOM 108 CA VAL A 7 9.471 -4.782 1.215 1.00 0.00 C ATOM 109 C VAL A 7 9.654 -3.336 1.678 1.00 0.00 C ATOM 110 O VAL A 7 10.011 -2.466 0.884 1.00 0.00 O ATOM 111 CB VAL A 7 10.796 -5.491 0.931 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.770 -5.321 2.099 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.570 -6.972 0.617 1.00 0.00 C ATOM 0 H VAL A 7 9.079 -4.455 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 7 8.995 -5.327 2.030 1.00 0.00 H new ATOM 0 HB VAL A 7 11.242 -5.027 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.704 -5.835 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.968 -4.261 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.333 -5.746 3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.528 -7.452 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.091 -7.455 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.930 -7.064 -0.260 1.00 0.00 H new ATOM 123 N PRO A 8 9.401 -3.121 2.961 1.00 0.00 N ATOM 124 CA PRO A 8 9.880 -1.878 3.645 1.00 0.00 C ATOM 125 C PRO A 8 11.414 -1.561 3.718 1.00 0.00 C ATOM 126 O PRO A 8 11.951 -1.325 4.799 1.00 0.00 O ATOM 127 CB PRO A 8 9.232 -1.999 5.043 1.00 0.00 C ATOM 128 CG PRO A 8 8.118 -3.037 4.898 1.00 0.00 C ATOM 129 CD PRO A 8 8.646 -4.014 3.850 1.00 0.00 C ATOM 0 HA PRO A 8 9.589 -1.017 3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.964 -2.312 5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.832 -1.040 5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.917 -3.539 5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.184 -2.576 4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.280 -4.784 4.291 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.840 -4.527 3.326 1.00 0.00 H new ATOM 137 N ILE A 9 12.045 -1.573 2.554 1.00 0.00 N ATOM 138 CA ILE A 9 13.469 -1.296 2.470 1.00 0.00 C ATOM 139 C ILE A 9 13.733 -0.347 1.301 1.00 0.00 C ATOM 140 O ILE A 9 14.420 0.660 1.457 1.00 0.00 O ATOM 141 CB ILE A 9 14.264 -2.602 2.396 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.723 -2.379 2.803 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.147 -3.236 1.009 1.00 0.00 C ATOM 144 CD1 ILE A 9 15.856 -2.273 4.324 1.00 0.00 C ATOM 0 H ILE A 9 11.596 -1.770 1.660 1.00 0.00 H new ATOM 0 HA ILE A 9 13.813 -0.791 3.372 1.00 0.00 H new ATOM 0 HB ILE A 9 13.834 -3.305 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.337 -3.202 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.100 -1.469 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.721 -4.162 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.100 -3.451 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.537 -2.547 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.902 -2.115 4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.260 -1.434 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 9 15.501 -3.194 4.785 1.00 0.00 H new ATOM 156 N ALA A 10 13.173 -0.703 0.154 1.00 0.00 N ATOM 157 CA ALA A 10 13.339 0.104 -1.043 1.00 0.00 C ATOM 158 C ALA A 10 12.051 0.884 -1.310 1.00 0.00 C ATOM 159 O ALA A 10 10.959 0.318 -1.270 1.00 0.00 O ATOM 160 CB ALA A 10 13.729 -0.797 -2.216 1.00 0.00 C ATOM 0 H ALA A 10 12.604 -1.540 0.028 1.00 0.00 H new ATOM 0 HA ALA A 10 14.141 0.829 -0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.854 -0.192 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.666 -1.306 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.946 -1.537 -2.383 1.00 0.00 H new ATOM 166 N TYR A 11 12.220 2.171 -1.575 1.00 0.00 N ATOM 167 CA TYR A 11 11.084 3.035 -1.849 1.00 0.00 C ATOM 168 C TYR A 11 11.480 4.186 -2.776 1.00 0.00 C ATOM 169 O TYR A 11 12.645 4.576 -2.822 1.00 0.00 O ATOM 170 CB TYR A 11 10.655 3.609 -0.497 1.00 0.00 C ATOM 171 CG TYR A 11 11.780 4.316 0.263 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.650 3.586 1.046 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.924 5.686 0.164 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.708 4.250 1.761 1.00 0.00 C ATOM 175 CE2 TYR A 11 12.982 6.351 0.880 1.00 0.00 C ATOM 176 CZ TYR A 11 13.822 5.601 1.642 1.00 0.00 C ATOM 177 OH TYR A 11 14.822 6.230 2.317 1.00 0.00 O ATOM 0 H TYR A 11 13.127 2.637 -1.606 1.00 0.00 H new ATOM 0 HA TYR A 11 10.286 2.476 -2.338 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.838 4.313 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.264 2.801 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.537 2.515 1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.244 6.258 -0.450 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.395 3.689 2.377 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.105 7.422 0.813 1.00 0.00 H new ATOM 0 HH TYR A 11 14.783 7.193 2.138 1.00 0.00 H new ATOM 187 N LYS A 12 10.488 4.696 -3.491 1.00 0.00 N ATOM 188 CA LYS A 12 10.718 5.794 -4.414 1.00 0.00 C ATOM 189 C LYS A 12 9.637 6.857 -4.216 1.00 0.00 C ATOM 190 O LYS A 12 8.811 6.746 -3.311 1.00 0.00 O ATOM 191 CB LYS A 12 10.815 5.275 -5.850 1.00 0.00 C ATOM 192 CG LYS A 12 9.479 4.689 -6.313 1.00 0.00 C ATOM 193 CD LYS A 12 9.515 4.354 -7.806 1.00 0.00 C ATOM 194 CE LYS A 12 10.163 2.990 -8.046 1.00 0.00 C ATOM 195 NZ LYS A 12 9.149 1.913 -7.963 1.00 0.00 N ATOM 0 H LYS A 12 9.523 4.369 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 12 11.676 6.271 -4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.110 6.087 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.592 4.513 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.254 3.789 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.678 5.401 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.501 4.355 -8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.070 5.124 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.639 2.974 -9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.946 2.818 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.605 0.993 -8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.713 1.919 -7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.416 2.070 -8.684 1.00 0.00 H new ATOM 209 N THR A 13 9.674 7.862 -5.078 1.00 0.00 N ATOM 210 CA THR A 13 8.707 8.944 -5.009 1.00 0.00 C ATOM 211 C THR A 13 7.462 8.600 -5.829 1.00 0.00 C ATOM 212 O THR A 13 7.559 8.310 -7.020 1.00 0.00 O ATOM 213 CB THR A 13 9.401 10.228 -5.468 1.00 0.00 C ATOM 214 OG1 THR A 13 9.844 10.835 -4.257 1.00 0.00 O ATOM 215 CG2 THR A 13 8.421 11.245 -6.057 1.00 0.00 C ATOM 0 H THR A 13 10.359 7.950 -5.829 1.00 0.00 H new ATOM 0 HA THR A 13 8.354 9.095 -3.989 1.00 0.00 H new ATOM 0 HB THR A 13 10.161 9.984 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.307 11.674 -4.462 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.965 12.137 -6.367 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.919 10.808 -6.920 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.680 11.515 -5.304 1.00 0.00 H new ATOM 223 N CYS A 14 6.321 8.643 -5.157 1.00 0.00 N ATOM 224 CA CYS A 14 5.058 8.339 -5.809 1.00 0.00 C ATOM 225 C CYS A 14 4.692 9.512 -6.720 1.00 0.00 C ATOM 226 O CYS A 14 4.287 10.571 -6.242 1.00 0.00 O ATOM 227 CB CYS A 14 3.954 8.040 -4.792 1.00 0.00 C ATOM 228 SG CYS A 14 4.325 6.669 -3.638 1.00 0.00 S ATOM 0 H CYS A 14 6.244 8.883 -4.169 1.00 0.00 H new ATOM 0 HA CYS A 14 5.164 7.435 -6.408 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.760 8.942 -4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.037 7.804 -5.331 1.00 0.00 H new ATOM 233 N PRO A 15 4.848 9.286 -8.015 1.00 0.00 N ATOM 234 CA PRO A 15 4.784 10.406 -9.008 1.00 0.00 C ATOM 235 C PRO A 15 3.484 11.273 -9.132 1.00 0.00 C ATOM 236 O PRO A 15 2.536 11.090 -8.371 1.00 0.00 O ATOM 237 CB PRO A 15 5.151 9.697 -10.331 1.00 0.00 C ATOM 238 CG PRO A 15 4.793 8.223 -10.129 1.00 0.00 C ATOM 239 CD PRO A 15 5.090 7.961 -8.654 1.00 0.00 C ATOM 0 HA PRO A 15 5.452 11.201 -8.676 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.598 10.122 -11.169 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.211 9.814 -10.556 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.746 8.032 -10.364 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.387 7.577 -10.775 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.437 7.191 -8.243 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.115 7.623 -8.504 1.00 0.00 H new ATOM 247 N GLU A 16 3.509 12.184 -10.095 1.00 0.00 N ATOM 248 CA GLU A 16 2.372 13.060 -10.325 1.00 0.00 C ATOM 249 C GLU A 16 1.102 12.236 -10.546 1.00 0.00 C ATOM 250 O GLU A 16 1.056 11.386 -11.435 1.00 0.00 O ATOM 251 CB GLU A 16 2.631 13.994 -11.508 1.00 0.00 C ATOM 252 CG GLU A 16 3.615 15.102 -11.126 1.00 0.00 C ATOM 253 CD GLU A 16 3.846 16.059 -12.298 1.00 0.00 C ATOM 254 OE1 GLU A 16 2.843 16.650 -12.754 1.00 0.00 O ATOM 255 OE2 GLU A 16 5.020 16.178 -12.711 1.00 0.00 O ATOM 0 H GLU A 16 4.298 12.334 -10.724 1.00 0.00 H new ATOM 0 HA GLU A 16 2.230 13.679 -9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.029 13.423 -12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.691 14.436 -11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.230 15.656 -10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.564 14.661 -10.820 1.00 0.00 H new ATOM 262 N GLY A 17 0.103 12.514 -9.722 1.00 0.00 N ATOM 263 CA GLY A 17 -1.163 11.809 -9.816 1.00 0.00 C ATOM 264 C GLY A 17 -1.367 10.884 -8.615 1.00 0.00 C ATOM 265 O GLY A 17 -2.481 10.755 -8.107 1.00 0.00 O ATOM 0 H GLY A 17 0.145 13.219 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.980 12.528 -9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.191 11.227 -10.737 1.00 0.00 H new ATOM 269 N LYS A 18 -0.274 10.264 -8.193 1.00 0.00 N ATOM 270 CA LYS A 18 -0.318 9.356 -7.061 1.00 0.00 C ATOM 271 C LYS A 18 0.586 9.889 -5.948 1.00 0.00 C ATOM 272 O LYS A 18 1.794 9.659 -5.961 1.00 0.00 O ATOM 273 CB LYS A 18 0.025 7.931 -7.503 1.00 0.00 C ATOM 274 CG LYS A 18 1.337 7.903 -8.290 1.00 0.00 C ATOM 275 CD LYS A 18 1.626 6.498 -8.822 1.00 0.00 C ATOM 276 CE LYS A 18 0.959 6.279 -10.181 1.00 0.00 C ATOM 277 NZ LYS A 18 1.753 6.915 -11.257 1.00 0.00 N ATOM 0 H LYS A 18 0.648 10.373 -8.616 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.328 9.305 -6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.107 7.285 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.782 7.533 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.282 8.606 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.157 8.229 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.703 6.354 -8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.265 5.755 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.860 5.211 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.048 6.695 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.304 6.728 -12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.797 7.941 -11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.716 6.523 -11.256 1.00 0.00 H new ATOM 291 N ASN A 19 -0.034 10.592 -5.012 1.00 0.00 N ATOM 292 CA ASN A 19 0.700 11.161 -3.894 1.00 0.00 C ATOM 293 C ASN A 19 0.263 10.473 -2.599 1.00 0.00 C ATOM 294 O ASN A 19 0.413 11.031 -1.514 1.00 0.00 O ATOM 295 CB ASN A 19 0.416 12.658 -3.753 1.00 0.00 C ATOM 296 CG ASN A 19 1.597 13.380 -3.100 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.705 12.876 -3.030 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.298 14.587 -2.628 1.00 0.00 N ATOM 0 H ASN A 19 -1.036 10.781 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 19 1.764 11.012 -4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.219 13.089 -4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.482 12.807 -3.154 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.018 15.150 -2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.349 14.950 -2.720 1.00 0.00 H new ATOM 305 N LEU A 20 -0.269 9.270 -2.757 1.00 0.00 N ATOM 306 CA LEU A 20 -0.729 8.499 -1.614 1.00 0.00 C ATOM 307 C LEU A 20 -0.145 7.087 -1.688 1.00 0.00 C ATOM 308 O LEU A 20 -0.029 6.515 -2.771 1.00 0.00 O ATOM 309 CB LEU A 20 -2.256 8.529 -1.527 1.00 0.00 C ATOM 310 CG LEU A 20 -2.886 9.899 -1.266 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.413 9.811 -1.275 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.355 10.508 0.033 1.00 0.00 C ATOM 0 H LEU A 20 -0.392 8.810 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.371 8.944 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.661 8.137 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.568 7.850 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.597 10.568 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.835 10.798 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.751 9.451 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.742 9.121 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.819 11.481 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.594 9.849 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.274 10.628 -0.037 1.00 0.00 H new ATOM 324 N CYS A 21 0.207 6.565 -0.522 1.00 0.00 N ATOM 325 CA CYS A 21 0.776 5.230 -0.441 1.00 0.00 C ATOM 326 C CYS A 21 -0.207 4.334 0.314 1.00 0.00 C ATOM 327 O CYS A 21 -0.610 4.653 1.432 1.00 0.00 O ATOM 328 CB CYS A 21 2.157 5.244 0.216 1.00 0.00 C ATOM 329 SG CYS A 21 3.246 6.617 -0.311 1.00 0.00 S ATOM 0 H CYS A 21 0.109 7.042 0.374 1.00 0.00 H new ATOM 0 HA CYS A 21 0.928 4.834 -1.445 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.029 5.296 1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.656 4.300 -0.001 1.00 0.00 H new ATOM 334 N TYR A 22 -0.565 3.231 -0.326 1.00 0.00 N ATOM 335 CA TYR A 22 -1.493 2.286 0.272 1.00 0.00 C ATOM 336 C TYR A 22 -0.876 0.888 0.353 1.00 0.00 C ATOM 337 O TYR A 22 0.102 0.597 -0.333 1.00 0.00 O ATOM 338 CB TYR A 22 -2.708 2.241 -0.658 1.00 0.00 C ATOM 339 CG TYR A 22 -2.465 1.479 -1.962 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.327 0.105 -1.942 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.383 2.163 -3.158 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.098 -0.613 -3.169 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.155 1.445 -4.385 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.024 0.092 -4.330 1.00 0.00 C ATOM 345 OH TYR A 22 -1.809 -0.587 -5.488 1.00 0.00 O ATOM 0 H TYR A 22 -0.229 2.970 -1.253 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.753 2.593 1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.541 1.778 -0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.009 3.261 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.391 -0.431 -1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.490 3.238 -3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.987 -1.687 -3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.089 1.968 -5.327 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.780 0.044 -6.237 1.00 0.00 H new ATOM 355 N LYS A 23 -1.476 0.060 1.197 1.00 0.00 N ATOM 356 CA LYS A 23 -0.997 -1.300 1.377 1.00 0.00 C ATOM 357 C LYS A 23 -2.187 -2.223 1.646 1.00 0.00 C ATOM 358 O LYS A 23 -2.809 -2.148 2.704 1.00 0.00 O ATOM 359 CB LYS A 23 0.078 -1.350 2.464 1.00 0.00 C ATOM 360 CG LYS A 23 -0.260 -0.398 3.613 1.00 0.00 C ATOM 361 CD LYS A 23 0.690 -0.605 4.795 1.00 0.00 C ATOM 362 CE LYS A 23 0.725 0.631 5.694 1.00 0.00 C ATOM 363 NZ LYS A 23 1.678 0.434 6.810 1.00 0.00 N ATOM 0 H LYS A 23 -2.289 0.305 1.763 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.514 -1.658 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.168 -2.367 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.045 -1.082 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.195 0.633 3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.288 -0.562 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.371 -1.471 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.693 -0.819 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.015 1.504 5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.271 0.829 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.153 0.204 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.326 -0.346 6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.225 1.306 6.957 1.00 0.00 H new ATOM 377 N MET A 24 -2.470 -3.071 0.668 1.00 0.00 N ATOM 378 CA MET A 24 -3.574 -4.008 0.785 1.00 0.00 C ATOM 379 C MET A 24 -3.148 -5.268 1.540 1.00 0.00 C ATOM 380 O MET A 24 -2.110 -5.856 1.238 1.00 0.00 O ATOM 381 CB MET A 24 -4.068 -4.393 -0.611 1.00 0.00 C ATOM 382 CG MET A 24 -5.087 -3.377 -1.131 1.00 0.00 C ATOM 383 SD MET A 24 -4.349 -2.373 -2.411 1.00 0.00 S ATOM 384 CE MET A 24 -5.043 -3.156 -3.857 1.00 0.00 C ATOM 0 H MET A 24 -1.953 -3.129 -0.210 1.00 0.00 H new ATOM 0 HA MET A 24 -4.376 -3.526 1.344 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.223 -4.450 -1.297 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.520 -5.384 -0.580 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.962 -3.895 -1.523 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.431 -2.744 -0.313 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.290 -3.201 -4.643 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.365 -4.166 -3.605 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.899 -2.579 -4.207 1.00 0.00 H new ATOM 394 N PHE A 25 -3.968 -5.646 2.509 1.00 0.00 N ATOM 395 CA PHE A 25 -3.689 -6.825 3.310 1.00 0.00 C ATOM 396 C PHE A 25 -4.759 -7.898 3.099 1.00 0.00 C ATOM 397 O PHE A 25 -5.942 -7.656 3.336 1.00 0.00 O ATOM 398 CB PHE A 25 -3.707 -6.385 4.776 1.00 0.00 C ATOM 399 CG PHE A 25 -2.525 -5.500 5.174 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.434 -4.231 4.694 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.566 -5.982 6.010 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.336 -3.409 5.064 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.468 -5.160 6.380 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.377 -3.892 5.899 1.00 0.00 C ATOM 0 H PHE A 25 -4.827 -5.156 2.758 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.726 -7.249 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.634 -5.845 4.971 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.714 -7.271 5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.196 -3.848 4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.639 -6.989 6.392 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.263 -2.401 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.294 -5.542 7.043 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.458 -3.267 6.180 1.00 0.00 H new ATOM 414 N MET A 26 -4.306 -9.061 2.654 1.00 0.00 N ATOM 415 CA MET A 26 -5.210 -10.172 2.408 1.00 0.00 C ATOM 416 C MET A 26 -5.429 -10.993 3.680 1.00 0.00 C ATOM 417 O MET A 26 -4.565 -11.031 4.556 1.00 0.00 O ATOM 418 CB MET A 26 -4.628 -11.070 1.314 1.00 0.00 C ATOM 419 CG MET A 26 -5.724 -11.559 0.365 1.00 0.00 C ATOM 420 SD MET A 26 -5.845 -13.338 0.437 1.00 0.00 S ATOM 421 CE MET A 26 -5.849 -13.719 -1.307 1.00 0.00 C ATOM 0 H MET A 26 -3.325 -9.258 2.457 1.00 0.00 H new ATOM 0 HA MET A 26 -6.171 -9.770 2.088 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.873 -10.521 0.751 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.127 -11.925 1.768 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.679 -11.110 0.637 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.502 -11.242 -0.654 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.920 -14.798 -1.444 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.702 -13.236 -1.783 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.927 -13.356 -1.761 1.00 0.00 H new ATOM 431 N MET A 27 -6.590 -11.629 3.743 1.00 0.00 N ATOM 432 CA MET A 27 -6.933 -12.447 4.894 1.00 0.00 C ATOM 433 C MET A 27 -7.005 -11.600 6.166 1.00 0.00 C ATOM 434 O MET A 27 -8.080 -11.419 6.736 1.00 0.00 O ATOM 435 CB MET A 27 -5.884 -13.547 5.070 1.00 0.00 C ATOM 436 CG MET A 27 -6.013 -14.608 3.975 1.00 0.00 C ATOM 437 SD MET A 27 -6.639 -16.128 4.668 1.00 0.00 S ATOM 438 CE MET A 27 -5.920 -17.305 3.534 1.00 0.00 C ATOM 0 H MET A 27 -7.305 -11.594 3.016 1.00 0.00 H new ATOM 0 HA MET A 27 -7.913 -12.892 4.721 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.886 -13.110 5.042 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.001 -14.013 6.048 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.682 -14.254 3.191 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.042 -14.783 3.511 1.00 0.00 H new ATOM 0 HE1 MET A 27 -6.213 -18.314 3.823 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.274 -17.100 2.524 1.00 0.00 H new ATOM 0 HE3 MET A 27 -4.834 -17.220 3.562 1.00 0.00 H new ATOM 448 N SER A 28 -5.845 -11.104 6.574 1.00 0.00 N ATOM 449 CA SER A 28 -5.764 -10.281 7.769 1.00 0.00 C ATOM 450 C SER A 28 -4.681 -9.214 7.596 1.00 0.00 C ATOM 451 O SER A 28 -3.761 -9.383 6.796 1.00 0.00 O ATOM 452 CB SER A 28 -5.475 -11.133 9.006 1.00 0.00 C ATOM 453 OG SER A 28 -5.947 -10.518 10.201 1.00 0.00 O ATOM 0 H SER A 28 -4.955 -11.256 6.099 1.00 0.00 H new ATOM 0 HA SER A 28 -6.728 -9.793 7.914 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.945 -12.110 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.401 -11.303 9.086 1.00 0.00 H new ATOM 0 HG SER A 28 -5.745 -11.094 10.967 1.00 0.00 H new ATOM 459 N ASP A 29 -4.827 -8.140 8.357 1.00 0.00 N ATOM 460 CA ASP A 29 -3.872 -7.045 8.298 1.00 0.00 C ATOM 461 C ASP A 29 -2.924 -7.135 9.495 1.00 0.00 C ATOM 462 O ASP A 29 -1.744 -6.810 9.382 1.00 0.00 O ATOM 463 CB ASP A 29 -4.583 -5.692 8.358 1.00 0.00 C ATOM 464 CG ASP A 29 -6.020 -5.738 8.881 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.877 -6.264 8.139 1.00 0.00 O ATOM 466 OD2 ASP A 29 -6.229 -5.246 10.010 1.00 0.00 O ATOM 0 H ASP A 29 -5.592 -8.004 9.018 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.325 -7.124 7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.003 -5.022 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.590 -5.258 7.358 1.00 0.00 H new ATOM 471 N LEU A 30 -3.477 -7.579 10.615 1.00 0.00 N ATOM 472 CA LEU A 30 -2.695 -7.715 11.831 1.00 0.00 C ATOM 473 C LEU A 30 -1.316 -8.280 11.486 1.00 0.00 C ATOM 474 O LEU A 30 -0.335 -7.999 12.175 1.00 0.00 O ATOM 475 CB LEU A 30 -3.457 -8.545 12.867 1.00 0.00 C ATOM 476 CG LEU A 30 -4.642 -7.852 13.541 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.647 -8.877 14.072 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.169 -6.894 14.635 1.00 0.00 C ATOM 0 H LEU A 30 -4.457 -7.849 10.705 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.534 -6.740 12.291 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.820 -9.451 12.382 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.756 -8.857 13.641 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.158 -7.253 12.791 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.480 -8.358 14.547 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.020 -9.482 13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.158 -9.522 14.802 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.032 -6.415 15.097 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.614 -7.450 15.391 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.523 -6.133 14.198 1.00 0.00 H new ATOM 490 N THR A 31 -1.283 -9.065 10.419 1.00 0.00 N ATOM 491 CA THR A 31 -0.039 -9.671 9.974 1.00 0.00 C ATOM 492 C THR A 31 0.682 -8.746 8.992 1.00 0.00 C ATOM 493 O THR A 31 0.517 -7.529 9.044 1.00 0.00 O ATOM 494 CB THR A 31 -0.367 -11.045 9.387 1.00 0.00 C ATOM 495 OG1 THR A 31 -1.072 -10.750 8.185 1.00 0.00 O ATOM 496 CG2 THR A 31 -1.381 -11.817 10.233 1.00 0.00 C ATOM 0 H THR A 31 -2.097 -9.295 9.850 1.00 0.00 H new ATOM 0 HA THR A 31 0.652 -9.813 10.805 1.00 0.00 H new ATOM 0 HB THR A 31 0.549 -11.628 9.297 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.322 -11.586 7.739 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.578 -12.785 9.772 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.979 -11.968 11.235 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.309 -11.249 10.296 1.00 0.00 H new ATOM 504 N ILE A 32 1.466 -9.361 8.117 1.00 0.00 N ATOM 505 CA ILE A 32 2.213 -8.609 7.124 1.00 0.00 C ATOM 506 C ILE A 32 1.525 -8.744 5.764 1.00 0.00 C ATOM 507 O ILE A 32 1.061 -9.825 5.404 1.00 0.00 O ATOM 508 CB ILE A 32 3.680 -9.041 7.116 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.565 -7.990 7.789 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.150 -9.362 5.696 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.162 -7.787 9.251 1.00 0.00 C ATOM 0 H ILE A 32 1.599 -10.371 8.076 1.00 0.00 H new ATOM 0 HA ILE A 32 2.219 -7.548 7.375 1.00 0.00 H new ATOM 0 HB ILE A 32 3.769 -9.958 7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.609 -8.300 7.736 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.486 -7.045 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.196 -9.666 5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.546 -10.172 5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.043 -8.477 5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.807 -7.035 9.705 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.126 -7.453 9.300 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.266 -8.728 9.791 1.00 0.00 H new ATOM 523 N PRO A 33 1.481 -7.632 5.045 1.00 0.00 N ATOM 524 CA PRO A 33 0.554 -7.506 3.874 1.00 0.00 C ATOM 525 C PRO A 33 0.743 -8.426 2.619 1.00 0.00 C ATOM 526 O PRO A 33 1.485 -9.407 2.670 1.00 0.00 O ATOM 527 CB PRO A 33 0.662 -6.003 3.529 1.00 0.00 C ATOM 528 CG PRO A 33 2.042 -5.560 4.016 1.00 0.00 C ATOM 529 CD PRO A 33 2.294 -6.405 5.261 1.00 0.00 C ATOM 0 HA PRO A 33 -0.429 -7.872 4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.555 -5.840 2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.127 -5.432 4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.805 -5.733 3.257 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.059 -4.495 4.248 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.352 -6.643 5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.989 -5.880 6.166 1.00 0.00 H new ATOM 537 N VAL A 34 0.056 -8.059 1.548 1.00 0.00 N ATOM 538 CA VAL A 34 0.135 -8.820 0.311 1.00 0.00 C ATOM 539 C VAL A 34 0.695 -7.926 -0.797 1.00 0.00 C ATOM 540 O VAL A 34 1.583 -8.338 -1.542 1.00 0.00 O ATOM 541 CB VAL A 34 -1.235 -9.408 -0.029 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.501 -10.681 0.778 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.344 -8.377 0.191 1.00 0.00 C ATOM 0 H VAL A 34 -0.558 -7.245 1.510 1.00 0.00 H new ATOM 0 HA VAL A 34 0.816 -9.663 0.423 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.232 -9.676 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.482 -11.079 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.736 -11.423 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.475 -10.449 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.308 -8.821 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.348 -8.064 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.168 -7.511 -0.447 1.00 0.00 H new ATOM 553 N LYS A 35 0.153 -6.719 -0.871 1.00 0.00 N ATOM 554 CA LYS A 35 0.587 -5.764 -1.876 1.00 0.00 C ATOM 555 C LYS A 35 0.470 -4.348 -1.311 1.00 0.00 C ATOM 556 O LYS A 35 -0.320 -4.101 -0.400 1.00 0.00 O ATOM 557 CB LYS A 35 -0.185 -5.972 -3.181 1.00 0.00 C ATOM 558 CG LYS A 35 -1.672 -5.664 -2.993 1.00 0.00 C ATOM 559 CD LYS A 35 -2.497 -6.209 -4.160 1.00 0.00 C ATOM 560 CE LYS A 35 -2.453 -5.253 -5.355 1.00 0.00 C ATOM 561 NZ LYS A 35 -2.974 -5.918 -6.570 1.00 0.00 N ATOM 0 H LYS A 35 -0.583 -6.381 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 35 1.636 -5.922 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.228 -5.329 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.063 -7.001 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.023 -6.103 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.816 -4.587 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.114 -7.186 -4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.530 -6.354 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.044 -4.363 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.429 -4.921 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.937 -5.256 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.393 -6.754 -6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.958 -6.213 -6.409 1.00 0.00 H new ATOM 575 N ARG A 36 1.269 -3.453 -1.874 1.00 0.00 N ATOM 576 CA ARG A 36 1.264 -2.066 -1.437 1.00 0.00 C ATOM 577 C ARG A 36 1.996 -1.188 -2.455 1.00 0.00 C ATOM 578 O ARG A 36 3.103 -1.514 -2.880 1.00 0.00 O ATOM 579 CB ARG A 36 1.934 -1.917 -0.071 1.00 0.00 C ATOM 580 CG ARG A 36 3.382 -2.409 -0.113 1.00 0.00 C ATOM 581 CD ARG A 36 3.595 -3.574 0.855 1.00 0.00 C ATOM 582 NE ARG A 36 3.313 -4.857 0.174 1.00 0.00 N ATOM 583 CZ ARG A 36 3.738 -6.050 0.612 1.00 0.00 C ATOM 584 NH1 ARG A 36 4.466 -6.131 1.734 1.00 0.00 N ATOM 585 NH2 ARG A 36 3.435 -7.162 -0.071 1.00 0.00 N ATOM 0 H ARG A 36 1.924 -3.661 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 36 0.225 -1.747 -1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.910 -0.872 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.376 -2.482 0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.634 -2.723 -1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.055 -1.591 0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.620 -3.567 1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.943 -3.462 1.721 1.00 0.00 H new ATOM 0 HE ARG A 36 2.760 -4.832 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.697 -5.285 2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.790 -7.039 2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.881 -7.101 -0.925 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.759 -8.070 0.263 1.00 0.00 H new ATOM 599 N GLY A 37 1.347 -0.089 -2.816 1.00 0.00 N ATOM 600 CA GLY A 37 1.921 0.838 -3.775 1.00 0.00 C ATOM 601 C GLY A 37 1.409 2.260 -3.536 1.00 0.00 C ATOM 602 O GLY A 37 1.030 2.608 -2.419 1.00 0.00 O ATOM 0 H GLY A 37 0.429 0.179 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.008 0.821 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.669 0.522 -4.787 1.00 0.00 H new ATOM 606 N CYS A 38 1.412 3.043 -4.605 1.00 0.00 N ATOM 607 CA CYS A 38 0.953 4.419 -4.526 1.00 0.00 C ATOM 608 C CYS A 38 -0.404 4.513 -5.227 1.00 0.00 C ATOM 609 O CYS A 38 -0.784 3.614 -5.974 1.00 0.00 O ATOM 610 CB CYS A 38 1.973 5.391 -5.123 1.00 0.00 C ATOM 611 SG CYS A 38 3.719 5.001 -4.742 1.00 0.00 S ATOM 0 H CYS A 38 1.725 2.750 -5.531 1.00 0.00 H new ATOM 0 HA CYS A 38 0.842 4.709 -3.481 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.847 5.408 -6.206 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.752 6.395 -4.761 1.00 0.00 H new ATOM 616 N ILE A 39 -1.096 5.611 -4.960 1.00 0.00 N ATOM 617 CA ILE A 39 -2.403 5.835 -5.556 1.00 0.00 C ATOM 618 C ILE A 39 -2.801 7.300 -5.368 1.00 0.00 C ATOM 619 O ILE A 39 -2.083 8.064 -4.723 1.00 0.00 O ATOM 620 CB ILE A 39 -3.425 4.843 -4.995 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.653 4.750 -5.902 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.800 5.199 -3.555 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.141 3.305 -6.018 1.00 0.00 C ATOM 0 H ILE A 39 -0.777 6.355 -4.339 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.369 5.649 -6.630 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.966 3.854 -4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.451 5.376 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.408 5.136 -6.892 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.527 4.479 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.908 5.173 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.233 6.199 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.015 3.267 -6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.349 2.686 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.408 2.931 -5.030 1.00 0.00 H new ATOM 635 N ASP A 40 -3.942 7.648 -5.942 1.00 0.00 N ATOM 636 CA ASP A 40 -4.444 9.009 -5.846 1.00 0.00 C ATOM 637 C ASP A 40 -5.606 9.049 -4.852 1.00 0.00 C ATOM 638 O ASP A 40 -5.796 10.045 -4.155 1.00 0.00 O ATOM 639 CB ASP A 40 -4.961 9.502 -7.199 1.00 0.00 C ATOM 640 CG ASP A 40 -6.272 8.864 -7.662 1.00 0.00 C ATOM 641 OD1 ASP A 40 -6.193 7.759 -8.241 1.00 0.00 O ATOM 642 OD2 ASP A 40 -7.325 9.496 -7.425 1.00 0.00 O ATOM 0 H ASP A 40 -4.534 7.012 -6.476 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.625 9.649 -5.519 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.099 10.582 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.197 9.314 -7.953 1.00 0.00 H new ATOM 647 N VAL A 41 -6.354 7.957 -4.819 1.00 0.00 N ATOM 648 CA VAL A 41 -7.492 7.855 -3.922 1.00 0.00 C ATOM 649 C VAL A 41 -7.606 6.418 -3.408 1.00 0.00 C ATOM 650 O VAL A 41 -7.314 5.471 -4.136 1.00 0.00 O ATOM 651 CB VAL A 41 -8.760 8.339 -4.628 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.348 7.239 -5.514 1.00 0.00 C ATOM 653 CG2 VAL A 41 -9.794 8.841 -3.618 1.00 0.00 C ATOM 0 H VAL A 41 -6.194 7.134 -5.400 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.352 8.500 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.486 9.176 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.248 7.609 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.617 6.950 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.598 6.373 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.685 9.179 -4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.061 8.032 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.374 9.670 -3.049 1.00 0.00 H new ATOM 663 N CYS A 42 -8.030 6.303 -2.158 1.00 0.00 N ATOM 664 CA CYS A 42 -8.186 4.997 -1.539 1.00 0.00 C ATOM 665 C CYS A 42 -9.282 4.238 -2.289 1.00 0.00 C ATOM 666 O CYS A 42 -10.439 4.653 -2.293 1.00 0.00 O ATOM 667 CB CYS A 42 -8.491 5.112 -0.045 1.00 0.00 C ATOM 668 SG CYS A 42 -8.113 3.614 0.935 1.00 0.00 S ATOM 0 H CYS A 42 -8.270 7.092 -1.557 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.249 4.444 -1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.924 5.949 0.364 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.547 5.352 0.078 1.00 0.00 H new ATOM 673 N PRO A 43 -8.877 3.136 -2.906 1.00 0.00 N ATOM 674 CA PRO A 43 -9.865 2.172 -3.488 1.00 0.00 C ATOM 675 C PRO A 43 -10.950 1.507 -2.572 1.00 0.00 C ATOM 676 O PRO A 43 -11.200 1.973 -1.462 1.00 0.00 O ATOM 677 CB PRO A 43 -8.948 1.133 -4.172 1.00 0.00 C ATOM 678 CG PRO A 43 -7.591 1.818 -4.338 1.00 0.00 C ATOM 679 CD PRO A 43 -7.472 2.723 -3.113 1.00 0.00 C ATOM 0 HA PRO A 43 -10.548 2.724 -4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.859 0.231 -3.566 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.353 0.830 -5.137 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.780 1.090 -4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.546 2.393 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.070 2.192 -2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.818 3.575 -3.296 1.00 0.00 H new ATOM 687 N LYS A 44 -11.542 0.441 -3.090 1.00 0.00 N ATOM 688 CA LYS A 44 -12.568 -0.277 -2.352 1.00 0.00 C ATOM 689 C LYS A 44 -11.933 -0.963 -1.141 1.00 0.00 C ATOM 690 O LYS A 44 -10.744 -0.786 -0.875 1.00 0.00 O ATOM 691 CB LYS A 44 -13.320 -1.236 -3.277 1.00 0.00 C ATOM 692 CG LYS A 44 -14.472 -0.522 -3.987 1.00 0.00 C ATOM 693 CD LYS A 44 -14.981 -1.346 -5.171 1.00 0.00 C ATOM 694 CE LYS A 44 -14.212 -1.004 -6.447 1.00 0.00 C ATOM 695 NZ LYS A 44 -14.693 -1.828 -7.580 1.00 0.00 N ATOM 0 H LYS A 44 -11.331 0.057 -4.011 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.318 0.416 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.633 -1.649 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.708 -2.075 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.286 -0.349 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.139 0.455 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.875 -2.408 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.044 -1.156 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.336 0.053 -6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.146 -1.174 -6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.160 -1.583 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.553 -2.835 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.705 -1.646 -7.737 1.00 0.00 H new ATOM 709 N ASN A 45 -12.753 -1.730 -0.438 1.00 0.00 N ATOM 710 CA ASN A 45 -12.286 -2.442 0.740 1.00 0.00 C ATOM 711 C ASN A 45 -13.296 -3.533 1.103 1.00 0.00 C ATOM 712 O ASN A 45 -14.492 -3.265 1.216 1.00 0.00 O ATOM 713 CB ASN A 45 -12.157 -1.500 1.938 1.00 0.00 C ATOM 714 CG ASN A 45 -11.119 -2.021 2.934 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.116 -1.384 3.216 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.414 -3.211 3.451 1.00 0.00 N ATOM 0 H ASN A 45 -13.738 -1.874 -0.661 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.310 -2.870 0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.870 -0.506 1.595 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -13.123 -1.400 2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.784 -3.644 4.126 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.270 -3.690 3.172 1.00 0.00 H new ATOM 723 N SER A 46 -12.777 -4.740 1.277 1.00 0.00 N ATOM 724 CA SER A 46 -13.618 -5.873 1.626 1.00 0.00 C ATOM 725 C SER A 46 -13.264 -6.376 3.027 1.00 0.00 C ATOM 726 O SER A 46 -12.415 -5.796 3.702 1.00 0.00 O ATOM 727 CB SER A 46 -13.474 -7.002 0.604 1.00 0.00 C ATOM 728 OG SER A 46 -12.228 -7.681 0.731 1.00 0.00 O ATOM 0 H SER A 46 -11.785 -4.958 1.183 1.00 0.00 H new ATOM 0 HA SER A 46 -14.657 -5.543 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.289 -7.714 0.733 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.563 -6.593 -0.403 1.00 0.00 H new ATOM 0 HG SER A 46 -12.175 -8.396 0.062 1.00 0.00 H new ATOM 734 N LEU A 47 -13.932 -7.450 3.421 1.00 0.00 N ATOM 735 CA LEU A 47 -13.698 -8.038 4.729 1.00 0.00 C ATOM 736 C LEU A 47 -12.571 -9.068 4.626 1.00 0.00 C ATOM 737 O LEU A 47 -11.963 -9.431 5.632 1.00 0.00 O ATOM 738 CB LEU A 47 -14.998 -8.605 5.302 1.00 0.00 C ATOM 739 CG LEU A 47 -14.873 -9.918 6.077 1.00 0.00 C ATOM 740 CD1 LEU A 47 -14.438 -11.060 5.156 1.00 0.00 C ATOM 741 CD2 LEU A 47 -13.935 -9.761 7.276 1.00 0.00 C ATOM 0 H LEU A 47 -14.635 -7.928 2.858 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.371 -7.276 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.438 -7.857 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.698 -8.756 4.481 1.00 0.00 H new ATOM 0 HG LEU A 47 -15.857 -10.177 6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.357 -11.982 5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.176 -11.191 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.470 -10.822 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.864 -10.709 7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.945 -9.466 6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.327 -8.996 7.947 1.00 0.00 H new ATOM 753 N LEU A 48 -12.325 -9.509 3.401 1.00 0.00 N ATOM 754 CA LEU A 48 -11.282 -10.489 3.154 1.00 0.00 C ATOM 755 C LEU A 48 -9.934 -9.775 3.039 1.00 0.00 C ATOM 756 O LEU A 48 -8.900 -10.328 3.412 1.00 0.00 O ATOM 757 CB LEU A 48 -11.629 -11.346 1.935 1.00 0.00 C ATOM 758 CG LEU A 48 -11.194 -12.812 1.999 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.698 -12.928 2.291 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.038 -13.590 3.011 1.00 0.00 C ATOM 0 H LEU A 48 -12.831 -9.205 2.569 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.206 -11.183 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.709 -11.314 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.175 -10.891 1.055 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.366 -13.263 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.416 -13.980 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.134 -12.431 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.476 -12.456 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.709 -14.629 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.920 -13.147 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.087 -13.549 2.718 1.00 0.00 H new ATOM 772 N VAL A 49 -9.988 -8.557 2.522 1.00 0.00 N ATOM 773 CA VAL A 49 -8.783 -7.761 2.354 1.00 0.00 C ATOM 774 C VAL A 49 -8.937 -6.443 3.115 1.00 0.00 C ATOM 775 O VAL A 49 -10.041 -6.079 3.517 1.00 0.00 O ATOM 776 CB VAL A 49 -8.493 -7.560 0.865 1.00 0.00 C ATOM 777 CG1 VAL A 49 -7.023 -7.201 0.637 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.885 -8.799 0.058 1.00 0.00 C ATOM 0 H VAL A 49 -10.847 -8.101 2.214 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.921 -8.280 2.773 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.101 -6.726 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.843 -7.064 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.788 -6.278 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.390 -8.006 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.669 -8.630 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.316 -9.659 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.950 -8.993 0.183 1.00 0.00 H new ATOM 788 N LYS A 50 -7.813 -5.764 3.292 1.00 0.00 N ATOM 789 CA LYS A 50 -7.809 -4.495 3.999 1.00 0.00 C ATOM 790 C LYS A 50 -6.942 -3.493 3.235 1.00 0.00 C ATOM 791 O LYS A 50 -5.748 -3.718 3.045 1.00 0.00 O ATOM 792 CB LYS A 50 -7.382 -4.693 5.455 1.00 0.00 C ATOM 793 CG LYS A 50 -7.777 -3.489 6.311 1.00 0.00 C ATOM 794 CD LYS A 50 -9.238 -3.588 6.756 1.00 0.00 C ATOM 795 CE LYS A 50 -9.372 -3.341 8.260 1.00 0.00 C ATOM 796 NZ LYS A 50 -10.377 -4.254 8.848 1.00 0.00 N ATOM 0 H LYS A 50 -6.899 -6.069 2.958 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.816 -4.080 4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.846 -5.595 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.303 -4.840 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.130 -3.432 7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.627 -2.570 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.838 -2.860 6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.631 -4.574 6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.408 -3.490 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.663 -2.306 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.455 -4.073 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.300 -4.092 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.084 -5.240 8.693 1.00 0.00 H new ATOM 810 N TYR A 51 -7.577 -2.408 2.815 1.00 0.00 N ATOM 811 CA TYR A 51 -6.878 -1.371 2.076 1.00 0.00 C ATOM 812 C TYR A 51 -6.445 -0.234 3.003 1.00 0.00 C ATOM 813 O TYR A 51 -7.181 0.734 3.192 1.00 0.00 O ATOM 814 CB TYR A 51 -7.885 -0.827 1.059 1.00 0.00 C ATOM 815 CG TYR A 51 -7.939 -1.622 -0.247 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.244 -2.968 -0.225 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.684 -0.993 -1.450 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.295 -3.716 -1.455 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.736 -1.741 -2.679 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.038 -3.065 -2.620 1.00 0.00 C ATOM 821 OH TYR A 51 -8.087 -3.771 -3.782 1.00 0.00 O ATOM 0 H TYR A 51 -8.568 -2.225 2.973 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.982 -1.774 1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.877 -0.823 1.511 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.633 0.209 0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.445 -3.461 0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.446 0.060 -1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.532 -4.770 -1.451 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.540 -1.261 -3.626 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.123 -3.151 -4.540 1.00 0.00 H new ATOM 831 N VAL A 52 -5.250 -0.387 3.556 1.00 0.00 N ATOM 832 CA VAL A 52 -4.709 0.614 4.459 1.00 0.00 C ATOM 833 C VAL A 52 -4.026 1.713 3.643 1.00 0.00 C ATOM 834 O VAL A 52 -2.888 1.551 3.204 1.00 0.00 O ATOM 835 CB VAL A 52 -3.773 -0.046 5.473 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.721 0.757 6.775 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.188 -1.495 5.739 1.00 0.00 C ATOM 0 H VAL A 52 -4.641 -1.190 3.396 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.509 1.083 5.033 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.770 -0.057 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.049 0.266 7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.357 1.763 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.720 0.814 7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.507 -1.942 6.463 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.203 -1.516 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.150 -2.061 4.808 1.00 0.00 H new ATOM 847 N CYS A 53 -4.749 2.810 3.463 1.00 0.00 N ATOM 848 CA CYS A 53 -4.227 3.935 2.709 1.00 0.00 C ATOM 849 C CYS A 53 -3.600 4.925 3.693 1.00 0.00 C ATOM 850 O CYS A 53 -3.997 4.984 4.856 1.00 0.00 O ATOM 851 CB CYS A 53 -5.310 4.592 1.851 1.00 0.00 C ATOM 852 SG CYS A 53 -6.045 3.504 0.576 1.00 0.00 S ATOM 0 H CYS A 53 -5.693 2.942 3.827 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.465 3.586 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.105 4.950 2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.884 5.467 1.360 1.00 0.00 H new ATOM 857 N CYS A 54 -2.632 5.678 3.191 1.00 0.00 N ATOM 858 CA CYS A 54 -1.947 6.662 4.011 1.00 0.00 C ATOM 859 C CYS A 54 -1.389 7.750 3.092 1.00 0.00 C ATOM 860 O CYS A 54 -1.386 7.594 1.872 1.00 0.00 O ATOM 861 CB CYS A 54 -0.854 6.021 4.868 1.00 0.00 C ATOM 862 SG CYS A 54 -0.352 4.342 4.342 1.00 0.00 S ATOM 0 H CYS A 54 -2.306 5.626 2.226 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.652 7.109 4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.023 6.668 4.856 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.202 5.974 5.900 1.00 0.00 H new ATOM 867 N ASN A 55 -0.932 8.827 3.713 1.00 0.00 N ATOM 868 CA ASN A 55 -0.372 9.940 2.964 1.00 0.00 C ATOM 869 C ASN A 55 0.950 10.367 3.607 1.00 0.00 C ATOM 870 O ASN A 55 1.342 11.529 3.514 1.00 0.00 O ATOM 871 CB ASN A 55 -1.315 11.145 2.980 1.00 0.00 C ATOM 872 CG ASN A 55 -1.308 11.828 4.349 1.00 0.00 C ATOM 873 OD1 ASN A 55 -1.299 11.192 5.390 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.315 13.157 4.289 1.00 0.00 N ATOM 0 H ASN A 55 -0.938 8.953 4.725 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.222 9.613 1.935 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.013 11.858 2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.327 10.823 2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.313 13.706 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.322 13.627 3.384 1.00 0.00 H new ATOM 881 N THR A 56 1.600 9.404 4.244 1.00 0.00 N ATOM 882 CA THR A 56 2.869 9.666 4.901 1.00 0.00 C ATOM 883 C THR A 56 3.999 8.907 4.201 1.00 0.00 C ATOM 884 O THR A 56 3.830 7.751 3.817 1.00 0.00 O ATOM 885 CB THR A 56 2.720 9.303 6.379 1.00 0.00 C ATOM 886 OG1 THR A 56 2.375 7.920 6.365 1.00 0.00 O ATOM 887 CG2 THR A 56 1.512 9.981 7.029 1.00 0.00 C ATOM 0 H THR A 56 1.272 8.441 4.319 1.00 0.00 H new ATOM 0 HA THR A 56 3.138 10.720 4.835 1.00 0.00 H new ATOM 0 HB THR A 56 3.627 9.584 6.914 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.261 7.602 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.452 9.690 8.078 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.621 11.063 6.958 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.602 9.673 6.514 1.00 0.00 H new ATOM 895 N ASP A 57 5.125 9.589 4.055 1.00 0.00 N ATOM 896 CA ASP A 57 6.282 8.994 3.408 1.00 0.00 C ATOM 897 C ASP A 57 6.743 7.778 4.214 1.00 0.00 C ATOM 898 O ASP A 57 7.111 7.906 5.381 1.00 0.00 O ATOM 899 CB ASP A 57 7.445 9.985 3.340 1.00 0.00 C ATOM 900 CG ASP A 57 7.074 11.386 2.848 1.00 0.00 C ATOM 901 OD1 ASP A 57 6.695 11.488 1.662 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.179 12.322 3.671 1.00 0.00 O ATOM 0 H ASP A 57 5.261 10.548 4.374 1.00 0.00 H new ATOM 0 HA ASP A 57 5.993 8.708 2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.888 10.070 4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.212 9.577 2.682 1.00 0.00 H new ATOM 907 N ARG A 58 6.708 6.627 3.559 1.00 0.00 N ATOM 908 CA ARG A 58 7.117 5.388 4.201 1.00 0.00 C ATOM 909 C ARG A 58 6.024 4.898 5.153 1.00 0.00 C ATOM 910 O ARG A 58 6.321 4.381 6.230 1.00 0.00 O ATOM 911 CB ARG A 58 8.419 5.577 4.982 1.00 0.00 C ATOM 912 CG ARG A 58 9.383 6.494 4.227 1.00 0.00 C ATOM 913 CD ARG A 58 10.822 6.286 4.703 1.00 0.00 C ATOM 914 NE ARG A 58 11.250 4.896 4.427 1.00 0.00 N ATOM 915 CZ ARG A 58 12.232 4.268 5.088 1.00 0.00 C ATOM 916 NH1 ARG A 58 12.894 4.902 6.065 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.553 3.006 4.771 1.00 0.00 N ATOM 0 H ARG A 58 6.403 6.526 2.591 1.00 0.00 H new ATOM 0 HA ARG A 58 7.281 4.647 3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.201 6.001 5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.890 4.609 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.317 6.295 3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.093 7.534 4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.486 6.987 4.197 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.894 6.492 5.771 1.00 0.00 H new ATOM 0 HE ARG A 58 10.768 4.385 3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.651 5.863 6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.641 4.424 6.568 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.050 2.523 4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.301 2.528 5.274 1.00 0.00 H new ATOM 931 N CYS A 59 4.784 5.078 4.723 1.00 0.00 N ATOM 932 CA CYS A 59 3.647 4.659 5.524 1.00 0.00 C ATOM 933 C CYS A 59 3.519 3.139 5.420 1.00 0.00 C ATOM 934 O CYS A 59 3.272 2.463 6.417 1.00 0.00 O ATOM 935 CB CYS A 59 2.361 5.371 5.097 1.00 0.00 C ATOM 936 SG CYS A 59 1.508 4.620 3.663 1.00 0.00 S ATOM 0 H CYS A 59 4.542 5.508 3.830 1.00 0.00 H new ATOM 0 HA CYS A 59 3.810 4.938 6.565 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.674 5.388 5.943 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.598 6.408 4.859 1.00 0.00 H new ATOM 941 N ASN A 60 3.690 2.644 4.203 1.00 0.00 N ATOM 942 CA ASN A 60 3.598 1.215 3.955 1.00 0.00 C ATOM 943 C ASN A 60 4.967 0.572 4.183 1.00 0.00 C ATOM 944 O ASN A 60 5.089 -0.652 4.186 1.00 0.00 O ATOM 945 CB ASN A 60 3.177 0.933 2.510 1.00 0.00 C ATOM 946 CG ASN A 60 4.311 1.258 1.536 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.381 1.705 1.916 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.018 1.009 0.264 1.00 0.00 N ATOM 0 H ASN A 60 3.892 3.208 3.377 1.00 0.00 H new ATOM 0 HA ASN A 60 2.853 0.802 4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.894 -0.115 2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.297 1.527 2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.709 1.192 -0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.102 0.635 0.015 1.00 0.00 H new