USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=15 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 24 MET CE :methyl -129:sc= -2.2 (180deg=-3.92!) USER MOD Set 1.2: A 51 TYR OH : rot 173:sc= -0.155 USER MOD Set 2.1: A 1 LEU N :NH3+ -114:sc= 0.0892 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= -0.832 K(o=-0.74,f=-4.4!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.35 K(o=-1.3,f=-5.9!) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.12) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0458) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= 0.424 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 147:sc= -0.148 (180deg=-1.12) 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+ -147:sc= 0 (180deg=-0.0117) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.31 K(o=-2.3,f=-6.9!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.103 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.442 K(o=-0.44,f=-4.1!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.79! USER MOD Single : A 60 ASN : amide:sc= -3.92! C(o=-3.9!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.730 12.262 -2.105 1.00 0.00 N ATOM 2 CA LEU A 1 5.692 11.270 -1.044 1.00 0.00 C ATOM 3 C LEU A 1 6.555 10.071 -1.441 1.00 0.00 C ATOM 4 O LEU A 1 6.704 9.773 -2.626 1.00 0.00 O ATOM 5 CB LEU A 1 4.245 10.901 -0.708 1.00 0.00 C ATOM 6 CG LEU A 1 3.719 11.408 0.637 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.332 12.034 0.482 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.732 10.294 1.685 1.00 0.00 C ATOM 0 H1 LEU A 1 6.208 13.119 -1.762 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.249 11.879 -2.920 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.759 12.499 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 1 6.115 11.678 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.600 11.287 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.154 9.815 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 1 4.388 12.192 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.981 12.386 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.387 12.874 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.638 11.289 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.354 10.680 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.100 9.472 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.752 9.935 1.822 1.00 0.00 H new ATOM 20 N LYS A 2 7.102 9.415 -0.428 1.00 0.00 N ATOM 21 CA LYS A 2 7.947 8.255 -0.657 1.00 0.00 C ATOM 22 C LYS A 2 7.212 6.995 -0.196 1.00 0.00 C ATOM 23 O LYS A 2 6.906 6.847 0.986 1.00 0.00 O ATOM 24 CB LYS A 2 9.312 8.447 0.006 1.00 0.00 C ATOM 25 CG LYS A 2 9.969 9.749 -0.459 1.00 0.00 C ATOM 26 CD LYS A 2 11.495 9.637 -0.417 1.00 0.00 C ATOM 27 CE LYS A 2 12.095 10.683 0.523 1.00 0.00 C ATOM 28 NZ LYS A 2 12.306 11.963 -0.191 1.00 0.00 N ATOM 0 H LYS A 2 6.977 9.665 0.553 1.00 0.00 H new ATOM 0 HA LYS A 2 8.149 8.136 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.195 8.461 1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.959 7.603 -0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.645 9.982 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.643 10.572 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.781 8.639 -0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.901 9.769 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.431 10.839 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.043 10.321 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.714 12.662 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.957 11.813 -0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.395 12.315 -0.550 1.00 0.00 H new ATOM 42 N CYS A 3 6.947 6.118 -1.154 1.00 0.00 N ATOM 43 CA CYS A 3 6.253 4.876 -0.861 1.00 0.00 C ATOM 44 C CYS A 3 7.235 3.719 -1.063 1.00 0.00 C ATOM 45 O CYS A 3 8.062 3.752 -1.973 1.00 0.00 O ATOM 46 CB CYS A 3 4.997 4.714 -1.719 1.00 0.00 C ATOM 47 SG CYS A 3 4.033 6.250 -1.965 1.00 0.00 S ATOM 0 H CYS A 3 7.201 6.244 -2.134 1.00 0.00 H new ATOM 0 HA CYS A 3 5.908 4.884 0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.288 4.324 -2.694 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.352 3.967 -1.257 1.00 0.00 H new ATOM 52 N ASN A 4 7.111 2.723 -0.198 1.00 0.00 N ATOM 53 CA ASN A 4 7.976 1.558 -0.268 1.00 0.00 C ATOM 54 C ASN A 4 7.267 0.448 -1.047 1.00 0.00 C ATOM 55 O ASN A 4 6.057 0.510 -1.261 1.00 0.00 O ATOM 56 CB ASN A 4 8.298 1.024 1.129 1.00 0.00 C ATOM 57 CG ASN A 4 8.644 2.166 2.086 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.816 3.308 1.694 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.736 1.796 3.360 1.00 0.00 N ATOM 0 H ASN A 4 6.424 2.699 0.555 1.00 0.00 H new ATOM 0 HA ASN A 4 8.901 1.855 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.444 0.467 1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.134 0.327 1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.963 2.486 4.076 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.580 0.822 3.621 1.00 0.00 H new ATOM 66 N LYS A 5 8.050 -0.542 -1.449 1.00 0.00 N ATOM 67 CA LYS A 5 7.513 -1.664 -2.200 1.00 0.00 C ATOM 68 C LYS A 5 7.027 -2.738 -1.224 1.00 0.00 C ATOM 69 O LYS A 5 6.839 -2.467 -0.040 1.00 0.00 O ATOM 70 CB LYS A 5 8.540 -2.173 -3.214 1.00 0.00 C ATOM 71 CG LYS A 5 9.117 -1.019 -4.036 1.00 0.00 C ATOM 72 CD LYS A 5 10.615 -0.852 -3.771 1.00 0.00 C ATOM 73 CE LYS A 5 11.439 -1.348 -4.960 1.00 0.00 C ATOM 74 NZ LYS A 5 12.040 -0.207 -5.687 1.00 0.00 N ATOM 0 H LYS A 5 9.053 -0.591 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 5 6.650 -1.351 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.345 -2.691 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.071 -2.899 -3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.950 -1.205 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.595 -0.095 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.840 0.197 -3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.894 -1.406 -2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.224 -2.019 -4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.805 -1.923 -5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.787 -0.554 -6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.307 0.273 -6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.449 0.463 -5.005 1.00 0.00 H new ATOM 88 N LEU A 6 6.838 -3.936 -1.759 1.00 0.00 N ATOM 89 CA LEU A 6 6.378 -5.052 -0.951 1.00 0.00 C ATOM 90 C LEU A 6 7.233 -5.147 0.314 1.00 0.00 C ATOM 91 O LEU A 6 6.769 -5.628 1.347 1.00 0.00 O ATOM 92 CB LEU A 6 6.358 -6.339 -1.777 1.00 0.00 C ATOM 93 CG LEU A 6 5.626 -7.528 -1.151 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.162 -7.567 -1.596 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.352 -8.841 -1.453 1.00 0.00 C ATOM 0 H LEU A 6 6.995 -4.157 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 6 5.349 -4.891 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.898 -6.121 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.388 -6.636 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 6 5.630 -7.400 -0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.665 -8.421 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.663 -6.648 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.114 -7.659 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.811 -9.670 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.401 -8.990 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.362 -8.800 -1.046 1.00 0.00 H new ATOM 107 N VAL A 7 8.467 -4.680 0.192 1.00 0.00 N ATOM 108 CA VAL A 7 9.392 -4.705 1.313 1.00 0.00 C ATOM 109 C VAL A 7 9.636 -3.276 1.799 1.00 0.00 C ATOM 110 O VAL A 7 9.913 -2.383 0.999 1.00 0.00 O ATOM 111 CB VAL A 7 10.678 -5.429 0.913 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.772 -5.226 1.964 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.418 -6.918 0.674 1.00 0.00 C ATOM 0 H VAL A 7 8.848 -4.282 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 7 8.967 -5.263 2.147 1.00 0.00 H new ATOM 0 HB VAL A 7 11.028 -4.995 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.676 -5.751 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.987 -4.162 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.433 -5.620 2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.349 -7.409 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.032 -7.371 1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.688 -7.036 -0.126 1.00 0.00 H new ATOM 123 N PRO A 8 9.525 -3.103 3.108 1.00 0.00 N ATOM 124 CA PRO A 8 10.092 -1.888 3.777 1.00 0.00 C ATOM 125 C PRO A 8 11.632 -1.606 3.718 1.00 0.00 C ATOM 126 O PRO A 8 12.284 -1.481 4.754 1.00 0.00 O ATOM 127 CB PRO A 8 9.570 -2.035 5.225 1.00 0.00 C ATOM 128 CG PRO A 8 8.433 -3.056 5.159 1.00 0.00 C ATOM 129 CD PRO A 8 8.850 -4.014 4.044 1.00 0.00 C ATOM 0 HA PRO A 8 9.767 -1.005 3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.362 -2.375 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.215 -1.079 5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.312 -3.579 6.108 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.480 -2.576 4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.516 -4.798 4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.993 -4.509 3.588 1.00 0.00 H new ATOM 137 N ILE A 9 12.140 -1.518 2.498 1.00 0.00 N ATOM 138 CA ILE A 9 13.554 -1.259 2.291 1.00 0.00 C ATOM 139 C ILE A 9 13.734 -0.397 1.040 1.00 0.00 C ATOM 140 O ILE A 9 14.421 0.622 1.077 1.00 0.00 O ATOM 141 CB ILE A 9 14.339 -2.572 2.253 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.728 -2.398 2.872 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.411 -3.125 0.828 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.715 -1.823 1.853 1.00 0.00 C ATOM 0 H ILE A 9 11.596 -1.622 1.641 1.00 0.00 H new ATOM 0 HA ILE A 9 13.964 -0.694 3.128 1.00 0.00 H new ATOM 0 HB ILE A 9 13.807 -3.307 2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.665 -1.736 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.092 -3.360 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.974 -4.058 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.402 -3.310 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.908 -2.402 0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.694 -1.709 2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.794 -2.499 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.360 -0.850 1.512 1.00 0.00 H new ATOM 156 N ALA A 10 13.102 -0.839 -0.039 1.00 0.00 N ATOM 157 CA ALA A 10 13.184 -0.120 -1.300 1.00 0.00 C ATOM 158 C ALA A 10 11.923 0.727 -1.481 1.00 0.00 C ATOM 159 O ALA A 10 10.808 0.214 -1.390 1.00 0.00 O ATOM 160 CB ALA A 10 13.386 -1.117 -2.442 1.00 0.00 C ATOM 0 H ALA A 10 12.532 -1.684 -0.066 1.00 0.00 H new ATOM 0 HA ALA A 10 14.039 0.557 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.448 -0.579 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.309 -1.673 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.545 -1.810 -2.473 1.00 0.00 H new ATOM 166 N TYR A 11 12.141 2.008 -1.735 1.00 0.00 N ATOM 167 CA TYR A 11 11.037 2.932 -1.930 1.00 0.00 C ATOM 168 C TYR A 11 11.420 4.048 -2.904 1.00 0.00 C ATOM 169 O TYR A 11 12.603 4.288 -3.144 1.00 0.00 O ATOM 170 CB TYR A 11 10.750 3.544 -0.558 1.00 0.00 C ATOM 171 CG TYR A 11 11.946 4.272 0.060 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.902 3.563 0.758 1.00 0.00 C ATOM 173 CD2 TYR A 11 12.069 5.640 -0.082 1.00 0.00 C ATOM 174 CE1 TYR A 11 14.026 4.248 1.339 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.193 6.326 0.499 1.00 0.00 C ATOM 176 CZ TYR A 11 14.117 5.596 1.181 1.00 0.00 C ATOM 177 OH TYR A 11 15.179 6.243 1.730 1.00 0.00 O ATOM 0 H TYR A 11 13.067 2.429 -1.810 1.00 0.00 H new ATOM 0 HA TYR A 11 10.173 2.413 -2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.919 4.244 -0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.428 2.754 0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.807 2.493 0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.322 6.195 -0.629 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.780 3.704 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.301 7.396 0.396 1.00 0.00 H new ATOM 0 HH TYR A 11 15.114 7.202 1.537 1.00 0.00 H new ATOM 187 N LYS A 12 10.399 4.702 -3.437 1.00 0.00 N ATOM 188 CA LYS A 12 10.614 5.787 -4.379 1.00 0.00 C ATOM 189 C LYS A 12 9.535 6.853 -4.178 1.00 0.00 C ATOM 190 O LYS A 12 8.698 6.732 -3.285 1.00 0.00 O ATOM 191 CB LYS A 12 10.689 5.249 -5.809 1.00 0.00 C ATOM 192 CG LYS A 12 9.300 5.199 -6.449 1.00 0.00 C ATOM 193 CD LYS A 12 8.452 4.087 -5.829 1.00 0.00 C ATOM 194 CE LYS A 12 9.124 2.722 -6.001 1.00 0.00 C ATOM 195 NZ LYS A 12 8.136 1.633 -5.841 1.00 0.00 N ATOM 0 H LYS A 12 9.420 4.501 -3.234 1.00 0.00 H new ATOM 0 HA LYS A 12 11.575 6.267 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.346 5.882 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.127 4.251 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.800 6.159 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.396 5.033 -7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.299 4.290 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.467 4.073 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.586 2.659 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.922 2.608 -5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.594 0.718 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.764 1.642 -4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.354 1.772 -6.513 1.00 0.00 H new ATOM 209 N THR A 13 9.589 7.871 -5.024 1.00 0.00 N ATOM 210 CA THR A 13 8.626 8.957 -4.951 1.00 0.00 C ATOM 211 C THR A 13 7.354 8.594 -5.721 1.00 0.00 C ATOM 212 O THR A 13 7.412 8.279 -6.908 1.00 0.00 O ATOM 213 CB THR A 13 9.307 10.227 -5.464 1.00 0.00 C ATOM 214 OG1 THR A 13 9.790 10.863 -4.284 1.00 0.00 O ATOM 215 CG2 THR A 13 8.309 11.231 -6.046 1.00 0.00 C ATOM 0 H THR A 13 10.285 7.967 -5.764 1.00 0.00 H new ATOM 0 HA THR A 13 8.306 9.135 -3.924 1.00 0.00 H new ATOM 0 HB THR A 13 10.043 9.963 -6.224 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.248 11.695 -4.525 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.843 12.114 -6.396 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.778 10.774 -6.881 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.594 11.521 -5.276 1.00 0.00 H new ATOM 223 N CYS A 14 6.236 8.652 -5.013 1.00 0.00 N ATOM 224 CA CYS A 14 4.952 8.334 -5.615 1.00 0.00 C ATOM 225 C CYS A 14 4.591 9.451 -6.596 1.00 0.00 C ATOM 226 O CYS A 14 4.186 10.537 -6.183 1.00 0.00 O ATOM 227 CB CYS A 14 3.866 8.130 -4.558 1.00 0.00 C ATOM 228 SG CYS A 14 4.106 6.668 -3.482 1.00 0.00 S ATOM 0 H CYS A 14 6.192 8.914 -4.028 1.00 0.00 H new ATOM 0 HA CYS A 14 5.025 7.389 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.817 9.021 -3.931 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.903 8.040 -5.060 1.00 0.00 H new ATOM 233 N PRO A 15 4.752 9.147 -7.875 1.00 0.00 N ATOM 234 CA PRO A 15 4.749 10.213 -8.927 1.00 0.00 C ATOM 235 C PRO A 15 3.489 11.125 -9.123 1.00 0.00 C ATOM 236 O PRO A 15 2.531 11.038 -8.356 1.00 0.00 O ATOM 237 CB PRO A 15 5.109 9.418 -10.204 1.00 0.00 C ATOM 238 CG PRO A 15 4.683 7.974 -9.930 1.00 0.00 C ATOM 239 CD PRO A 15 4.940 7.781 -8.438 1.00 0.00 C ATOM 0 HA PRO A 15 5.442 10.998 -8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.590 9.820 -11.074 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.177 9.478 -10.414 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.633 7.816 -10.176 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.261 7.269 -10.528 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.243 7.066 -8.000 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.945 7.403 -8.249 1.00 0.00 H new ATOM 247 N GLU A 16 3.556 11.960 -10.149 1.00 0.00 N ATOM 248 CA GLU A 16 2.458 12.865 -10.450 1.00 0.00 C ATOM 249 C GLU A 16 1.154 12.082 -10.611 1.00 0.00 C ATOM 250 O GLU A 16 1.083 11.144 -11.403 1.00 0.00 O ATOM 251 CB GLU A 16 2.759 13.693 -11.700 1.00 0.00 C ATOM 252 CG GLU A 16 3.780 14.791 -11.398 1.00 0.00 C ATOM 253 CD GLU A 16 5.209 14.249 -11.483 1.00 0.00 C ATOM 254 OE1 GLU A 16 5.699 14.119 -12.626 1.00 0.00 O ATOM 255 OE2 GLU A 16 5.778 13.976 -10.405 1.00 0.00 O ATOM 0 H GLU A 16 4.352 12.030 -10.782 1.00 0.00 H new ATOM 0 HA GLU A 16 2.342 13.556 -9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.141 13.043 -12.488 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.838 14.141 -12.074 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.656 15.612 -12.104 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.600 15.197 -10.402 1.00 0.00 H new ATOM 262 N GLY A 17 0.153 12.496 -9.847 1.00 0.00 N ATOM 263 CA GLY A 17 -1.145 11.845 -9.895 1.00 0.00 C ATOM 264 C GLY A 17 -1.368 10.974 -8.658 1.00 0.00 C ATOM 265 O GLY A 17 -2.446 10.992 -8.068 1.00 0.00 O ATOM 0 H GLY A 17 0.215 13.275 -9.191 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.931 12.597 -9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.215 11.232 -10.793 1.00 0.00 H new ATOM 269 N LYS A 18 -0.330 10.232 -8.301 1.00 0.00 N ATOM 270 CA LYS A 18 -0.398 9.356 -7.145 1.00 0.00 C ATOM 271 C LYS A 18 0.529 9.887 -6.051 1.00 0.00 C ATOM 272 O LYS A 18 1.743 9.701 -6.116 1.00 0.00 O ATOM 273 CB LYS A 18 -0.105 7.909 -7.550 1.00 0.00 C ATOM 274 CG LYS A 18 -1.099 7.423 -8.606 1.00 0.00 C ATOM 275 CD LYS A 18 -0.628 6.113 -9.242 1.00 0.00 C ATOM 276 CE LYS A 18 -1.816 5.215 -9.589 1.00 0.00 C ATOM 277 NZ LYS A 18 -2.040 5.193 -11.052 1.00 0.00 N ATOM 0 H LYS A 18 0.563 10.220 -8.793 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.407 9.350 -6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.910 7.835 -7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.157 7.264 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.078 7.278 -8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.217 8.184 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.054 6.328 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.039 5.591 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.632 4.203 -9.228 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.712 5.576 -9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.850 4.579 -11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.237 6.157 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.191 4.827 -11.528 1.00 0.00 H new ATOM 291 N ASN A 19 -0.077 10.540 -5.071 1.00 0.00 N ATOM 292 CA ASN A 19 0.678 11.101 -3.964 1.00 0.00 C ATOM 293 C ASN A 19 0.232 10.439 -2.659 1.00 0.00 C ATOM 294 O ASN A 19 0.388 11.012 -1.583 1.00 0.00 O ATOM 295 CB ASN A 19 0.436 12.606 -3.838 1.00 0.00 C ATOM 296 CG ASN A 19 1.662 13.312 -3.255 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.691 12.711 -2.992 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.497 14.619 -3.069 1.00 0.00 N ATOM 0 H ASN A 19 -1.084 10.693 -5.021 1.00 0.00 H new ATOM 0 HA ASN A 19 1.736 10.921 -4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.203 13.024 -4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.429 12.787 -3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.258 15.180 -2.685 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.610 15.060 -3.310 1.00 0.00 H new ATOM 305 N LEU A 20 -0.315 9.240 -2.798 1.00 0.00 N ATOM 306 CA LEU A 20 -0.786 8.494 -1.643 1.00 0.00 C ATOM 307 C LEU A 20 -0.216 7.075 -1.692 1.00 0.00 C ATOM 308 O LEU A 20 -0.154 6.463 -2.758 1.00 0.00 O ATOM 309 CB LEU A 20 -2.313 8.540 -1.561 1.00 0.00 C ATOM 310 CG LEU A 20 -2.933 9.929 -1.390 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.436 9.898 -1.671 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.621 10.500 -0.004 1.00 0.00 C ATOM 0 H LEU A 20 -0.443 8.767 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.427 8.952 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.720 8.091 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.631 7.916 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.483 10.597 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.851 10.898 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.608 9.563 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.922 9.211 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.072 11.487 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.027 9.839 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.541 10.581 0.122 1.00 0.00 H new ATOM 324 N CYS A 21 0.186 6.592 -0.525 1.00 0.00 N ATOM 325 CA CYS A 21 0.748 5.256 -0.422 1.00 0.00 C ATOM 326 C CYS A 21 -0.258 4.367 0.311 1.00 0.00 C ATOM 327 O CYS A 21 -0.768 4.739 1.367 1.00 0.00 O ATOM 328 CB CYS A 21 2.111 5.269 0.274 1.00 0.00 C ATOM 329 SG CYS A 21 3.202 6.658 -0.202 1.00 0.00 S ATOM 0 H CYS A 21 0.134 7.102 0.357 1.00 0.00 H new ATOM 0 HA CYS A 21 0.926 4.855 -1.420 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.953 5.303 1.352 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.623 4.332 0.056 1.00 0.00 H new ATOM 334 N TYR A 22 -0.515 3.208 -0.278 1.00 0.00 N ATOM 335 CA TYR A 22 -1.452 2.262 0.305 1.00 0.00 C ATOM 336 C TYR A 22 -0.843 0.861 0.376 1.00 0.00 C ATOM 337 O TYR A 22 0.134 0.569 -0.313 1.00 0.00 O ATOM 338 CB TYR A 22 -2.661 2.234 -0.632 1.00 0.00 C ATOM 339 CG TYR A 22 -2.427 1.454 -1.927 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.319 0.078 -1.894 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.324 2.126 -3.127 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.098 -0.656 -3.113 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.103 1.391 -4.347 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.001 0.037 -4.279 1.00 0.00 C ATOM 345 OH TYR A 22 -1.793 -0.656 -5.431 1.00 0.00 O ATOM 0 H TYR A 22 -0.090 2.902 -1.154 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.717 2.560 1.320 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.507 1.795 -0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.938 3.258 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.400 -0.448 -0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.409 3.202 -3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.011 -1.732 -3.101 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.020 1.904 -5.294 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.746 -0.031 -6.185 1.00 0.00 H new ATOM 355 N LYS A 23 -1.445 0.030 1.214 1.00 0.00 N ATOM 356 CA LYS A 23 -0.975 -1.334 1.383 1.00 0.00 C ATOM 357 C LYS A 23 -2.171 -2.254 1.641 1.00 0.00 C ATOM 358 O LYS A 23 -2.798 -2.181 2.696 1.00 0.00 O ATOM 359 CB LYS A 23 0.097 -1.400 2.472 1.00 0.00 C ATOM 360 CG LYS A 23 -0.225 -0.439 3.618 1.00 0.00 C ATOM 361 CD LYS A 23 0.763 -0.610 4.773 1.00 0.00 C ATOM 362 CE LYS A 23 0.610 0.516 5.798 1.00 0.00 C ATOM 363 NZ LYS A 23 1.362 0.199 7.032 1.00 0.00 N ATOM 0 H LYS A 23 -2.255 0.275 1.784 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.493 -1.686 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.169 -2.418 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.069 -1.151 2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.191 0.588 3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.240 -0.619 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.598 -1.572 5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.782 -0.618 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.972 1.453 5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.444 0.660 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.715 0.215 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.788 -0.746 6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.112 0.905 7.172 1.00 0.00 H new ATOM 377 N MET A 24 -2.450 -3.097 0.658 1.00 0.00 N ATOM 378 CA MET A 24 -3.561 -4.028 0.765 1.00 0.00 C ATOM 379 C MET A 24 -3.141 -5.295 1.514 1.00 0.00 C ATOM 380 O MET A 24 -2.111 -5.892 1.206 1.00 0.00 O ATOM 381 CB MET A 24 -4.051 -4.402 -0.636 1.00 0.00 C ATOM 382 CG MET A 24 -5.019 -3.349 -1.176 1.00 0.00 C ATOM 383 SD MET A 24 -4.392 -2.667 -2.702 1.00 0.00 S ATOM 384 CE MET A 24 -4.865 -3.960 -3.838 1.00 0.00 C ATOM 0 H MET A 24 -1.927 -3.155 -0.216 1.00 0.00 H new ATOM 0 HA MET A 24 -4.364 -3.546 1.323 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.199 -4.498 -1.310 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.544 -5.373 -0.606 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.999 -3.796 -1.344 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.152 -2.555 -0.441 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.001 -4.255 -4.434 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.230 -4.821 -3.278 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.653 -3.595 -4.497 1.00 0.00 H new ATOM 394 N PHE A 25 -3.964 -5.670 2.484 1.00 0.00 N ATOM 395 CA PHE A 25 -3.692 -6.853 3.280 1.00 0.00 C ATOM 396 C PHE A 25 -4.766 -7.920 3.060 1.00 0.00 C ATOM 397 O PHE A 25 -5.943 -7.688 3.332 1.00 0.00 O ATOM 398 CB PHE A 25 -3.713 -6.421 4.747 1.00 0.00 C ATOM 399 CG PHE A 25 -2.532 -5.538 5.153 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.466 -4.249 4.722 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.547 -6.041 5.944 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.369 -3.430 5.099 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.450 -5.222 6.321 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.384 -3.933 5.890 1.00 0.00 C ATOM 0 H PHE A 25 -4.819 -5.174 2.735 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.730 -7.279 2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.640 -5.883 4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.722 -7.311 5.377 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.248 -3.849 4.093 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.599 -7.064 6.286 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.317 -2.407 4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.332 -5.622 6.950 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.450 -3.310 6.176 1.00 0.00 H new ATOM 414 N MET A 26 -4.323 -9.068 2.568 1.00 0.00 N ATOM 415 CA MET A 26 -5.232 -10.172 2.308 1.00 0.00 C ATOM 416 C MET A 26 -5.451 -11.011 3.569 1.00 0.00 C ATOM 417 O MET A 26 -4.611 -11.020 4.467 1.00 0.00 O ATOM 418 CB MET A 26 -4.658 -11.056 1.200 1.00 0.00 C ATOM 419 CG MET A 26 -5.748 -11.470 0.209 1.00 0.00 C ATOM 420 SD MET A 26 -6.022 -13.231 0.303 1.00 0.00 S ATOM 421 CE MET A 26 -6.072 -13.631 -1.437 1.00 0.00 C ATOM 0 H MET A 26 -3.346 -9.258 2.343 1.00 0.00 H new ATOM 0 HA MET A 26 -6.192 -9.761 1.996 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.868 -10.519 0.674 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.203 -11.944 1.638 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.673 -10.937 0.430 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.455 -11.193 -0.804 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.237 -14.701 -1.560 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.884 -13.081 -1.913 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.125 -13.355 -1.901 1.00 0.00 H new ATOM 431 N MET A 27 -6.586 -11.696 3.596 1.00 0.00 N ATOM 432 CA MET A 27 -6.926 -12.535 4.732 1.00 0.00 C ATOM 433 C MET A 27 -6.985 -11.715 6.022 1.00 0.00 C ATOM 434 O MET A 27 -8.067 -11.398 6.513 1.00 0.00 O ATOM 435 CB MET A 27 -5.881 -13.644 4.878 1.00 0.00 C ATOM 436 CG MET A 27 -5.926 -14.599 3.685 1.00 0.00 C ATOM 437 SD MET A 27 -5.819 -16.289 4.250 1.00 0.00 S ATOM 438 CE MET A 27 -7.335 -16.400 5.185 1.00 0.00 C ATOM 0 H MET A 27 -7.281 -11.687 2.849 1.00 0.00 H new ATOM 0 HA MET A 27 -7.910 -12.971 4.557 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.887 -13.204 4.959 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.060 -14.198 5.799 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.850 -14.452 3.126 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.103 -14.382 3.004 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.733 -17.412 5.114 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.136 -16.161 6.230 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.063 -15.695 4.783 1.00 0.00 H new ATOM 448 N SER A 28 -5.806 -11.394 6.536 1.00 0.00 N ATOM 449 CA SER A 28 -5.709 -10.617 7.759 1.00 0.00 C ATOM 450 C SER A 28 -4.561 -9.612 7.651 1.00 0.00 C ATOM 451 O SER A 28 -3.536 -9.898 7.034 1.00 0.00 O ATOM 452 CB SER A 28 -5.507 -11.525 8.974 1.00 0.00 C ATOM 453 OG SER A 28 -6.711 -12.186 9.352 1.00 0.00 O ATOM 0 H SER A 28 -4.910 -11.658 6.127 1.00 0.00 H new ATOM 0 HA SER A 28 -6.645 -10.076 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.741 -12.267 8.749 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.140 -10.933 9.812 1.00 0.00 H new ATOM 0 HG SER A 28 -6.540 -12.757 10.130 1.00 0.00 H new ATOM 459 N ASP A 29 -4.770 -8.454 8.262 1.00 0.00 N ATOM 460 CA ASP A 29 -3.765 -7.405 8.242 1.00 0.00 C ATOM 461 C ASP A 29 -2.847 -7.562 9.455 1.00 0.00 C ATOM 462 O ASP A 29 -1.706 -7.101 9.438 1.00 0.00 O ATOM 463 CB ASP A 29 -4.413 -6.021 8.314 1.00 0.00 C ATOM 464 CG ASP A 29 -5.800 -5.988 8.959 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.731 -6.538 8.331 1.00 0.00 O ATOM 466 OD2 ASP A 29 -5.898 -5.416 10.066 1.00 0.00 O ATOM 0 H ASP A 29 -5.621 -8.220 8.774 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.204 -7.492 7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.754 -5.356 8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.489 -5.619 7.304 1.00 0.00 H new ATOM 471 N LEU A 30 -3.378 -8.212 10.479 1.00 0.00 N ATOM 472 CA LEU A 30 -2.621 -8.435 11.700 1.00 0.00 C ATOM 473 C LEU A 30 -1.193 -8.848 11.339 1.00 0.00 C ATOM 474 O LEU A 30 -0.260 -8.604 12.103 1.00 0.00 O ATOM 475 CB LEU A 30 -3.342 -9.438 12.603 1.00 0.00 C ATOM 476 CG LEU A 30 -4.440 -8.863 13.499 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.396 -9.963 13.967 1.00 0.00 C ATOM 478 CD2 LEU A 30 -3.840 -8.088 14.674 1.00 0.00 C ATOM 0 H LEU A 30 -4.324 -8.592 10.489 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.551 -7.514 12.279 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.782 -10.212 11.974 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.601 -9.925 13.237 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.025 -8.155 12.912 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.168 -9.528 14.603 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.862 -10.433 13.101 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.840 -10.712 14.531 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.642 -7.690 15.295 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.217 -8.755 15.270 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.232 -7.266 14.295 1.00 0.00 H new ATOM 490 N THR A 31 -1.065 -9.465 10.173 1.00 0.00 N ATOM 491 CA THR A 31 0.234 -9.914 9.703 1.00 0.00 C ATOM 492 C THR A 31 0.710 -9.042 8.540 1.00 0.00 C ATOM 493 O THR A 31 0.000 -8.136 8.107 1.00 0.00 O ATOM 494 CB THR A 31 0.119 -11.397 9.342 1.00 0.00 C ATOM 495 OG1 THR A 31 -0.779 -11.417 8.235 1.00 0.00 O ATOM 496 CG2 THR A 31 -0.601 -12.208 10.421 1.00 0.00 C ATOM 0 H THR A 31 -1.840 -9.664 9.540 1.00 0.00 H new ATOM 0 HA THR A 31 0.993 -9.811 10.479 1.00 0.00 H new ATOM 0 HB THR A 31 1.115 -11.810 9.182 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.909 -12.341 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.656 -13.253 10.115 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.052 -12.133 11.360 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.609 -11.817 10.558 1.00 0.00 H new ATOM 504 N ILE A 32 1.911 -9.345 8.068 1.00 0.00 N ATOM 505 CA ILE A 32 2.491 -8.599 6.964 1.00 0.00 C ATOM 506 C ILE A 32 1.563 -8.687 5.751 1.00 0.00 C ATOM 507 O ILE A 32 0.926 -9.715 5.526 1.00 0.00 O ATOM 508 CB ILE A 32 3.917 -9.080 6.684 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.946 -8.087 7.228 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.119 -9.355 5.192 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.117 -8.249 8.740 1.00 0.00 C ATOM 0 H ILE A 32 2.498 -10.097 8.430 1.00 0.00 H new ATOM 0 HA ILE A 32 2.579 -7.544 7.222 1.00 0.00 H new ATOM 0 HB ILE A 32 4.070 -10.023 7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.904 -8.241 6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.630 -7.069 7.001 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.140 -9.695 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.420 -10.125 4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.941 -8.441 4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.854 -7.532 9.102 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.163 -8.070 9.235 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.457 -9.261 8.961 1.00 0.00 H new ATOM 523 N PRO A 33 1.515 -7.595 5.002 1.00 0.00 N ATOM 524 CA PRO A 33 0.573 -7.496 3.843 1.00 0.00 C ATOM 525 C PRO A 33 0.765 -8.419 2.591 1.00 0.00 C ATOM 526 O PRO A 33 1.511 -9.396 2.644 1.00 0.00 O ATOM 527 CB PRO A 33 0.644 -5.993 3.487 1.00 0.00 C ATOM 528 CG PRO A 33 2.029 -5.523 3.934 1.00 0.00 C ATOM 529 CD PRO A 33 2.332 -6.362 5.173 1.00 0.00 C ATOM 0 HA PRO A 33 -0.398 -7.882 4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.505 -5.838 2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.141 -5.433 3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.774 -5.682 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.032 -4.458 4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.394 -6.597 5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.063 -5.832 6.086 1.00 0.00 H new ATOM 537 N VAL A 34 0.074 -8.060 1.519 1.00 0.00 N ATOM 538 CA VAL A 34 0.154 -8.825 0.286 1.00 0.00 C ATOM 539 C VAL A 34 0.713 -7.934 -0.826 1.00 0.00 C ATOM 540 O VAL A 34 1.609 -8.343 -1.562 1.00 0.00 O ATOM 541 CB VAL A 34 -1.216 -9.416 -0.054 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.485 -10.679 0.767 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.325 -8.382 0.150 1.00 0.00 C ATOM 0 H VAL A 34 -0.544 -7.249 1.479 1.00 0.00 H new ATOM 0 HA VAL A 34 0.836 -9.667 0.403 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.210 -9.696 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.465 -11.080 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.719 -11.424 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.463 -10.434 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.288 -8.828 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.333 -8.058 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.145 -7.523 -0.496 1.00 0.00 H new ATOM 553 N LYS A 35 0.160 -6.733 -0.912 1.00 0.00 N ATOM 554 CA LYS A 35 0.592 -5.781 -1.922 1.00 0.00 C ATOM 555 C LYS A 35 0.486 -4.363 -1.357 1.00 0.00 C ATOM 556 O LYS A 35 -0.291 -4.114 -0.437 1.00 0.00 O ATOM 557 CB LYS A 35 -0.189 -5.987 -3.221 1.00 0.00 C ATOM 558 CG LYS A 35 -1.671 -5.658 -3.027 1.00 0.00 C ATOM 559 CD LYS A 35 -2.539 -6.432 -4.022 1.00 0.00 C ATOM 560 CE LYS A 35 -2.408 -5.851 -5.431 1.00 0.00 C ATOM 561 NZ LYS A 35 -1.458 -6.652 -6.236 1.00 0.00 N ATOM 0 H LYS A 35 -0.583 -6.397 -0.299 1.00 0.00 H new ATOM 0 HA LYS A 35 1.639 -5.945 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.228 -5.355 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.082 -7.019 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.972 -5.904 -2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.830 -4.587 -3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.244 -7.481 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.581 -6.396 -3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.384 -5.837 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.065 -4.818 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.956 -6.030 -6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.771 -7.112 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.980 -7.378 -6.768 1.00 0.00 H new ATOM 575 N ARG A 36 1.277 -3.470 -1.934 1.00 0.00 N ATOM 576 CA ARG A 36 1.281 -2.083 -1.500 1.00 0.00 C ATOM 577 C ARG A 36 2.001 -1.208 -2.529 1.00 0.00 C ATOM 578 O ARG A 36 3.063 -1.576 -3.027 1.00 0.00 O ATOM 579 CB ARG A 36 1.970 -1.933 -0.142 1.00 0.00 C ATOM 580 CG ARG A 36 3.383 -2.519 -0.176 1.00 0.00 C ATOM 581 CD ARG A 36 4.335 -1.706 0.705 1.00 0.00 C ATOM 582 NE ARG A 36 5.025 -2.598 1.662 1.00 0.00 N ATOM 583 CZ ARG A 36 4.526 -2.946 2.858 1.00 0.00 C ATOM 584 NH1 ARG A 36 3.332 -2.479 3.247 1.00 0.00 N ATOM 585 NH2 ARG A 36 5.222 -3.760 3.662 1.00 0.00 N ATOM 0 H ARG A 36 1.919 -3.680 -2.698 1.00 0.00 H new ATOM 0 HA ARG A 36 0.244 -1.761 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.016 -0.879 0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.382 -2.436 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.360 -3.554 0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.751 -2.530 -1.202 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.067 -1.190 0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.779 -0.940 1.245 1.00 0.00 H new ATOM 0 HE ARG A 36 5.936 -2.972 1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.802 -1.859 2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.952 -2.743 4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.131 -4.115 3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.843 -4.025 4.571 1.00 0.00 H new ATOM 599 N GLY A 37 1.392 -0.067 -2.816 1.00 0.00 N ATOM 600 CA GLY A 37 1.962 0.864 -3.775 1.00 0.00 C ATOM 601 C GLY A 37 1.411 2.275 -3.564 1.00 0.00 C ATOM 602 O GLY A 37 0.954 2.610 -2.472 1.00 0.00 O ATOM 0 H GLY A 37 0.510 0.234 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.047 0.875 -3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.738 0.530 -4.788 1.00 0.00 H new ATOM 606 N CYS A 38 1.471 3.065 -4.626 1.00 0.00 N ATOM 607 CA CYS A 38 0.985 4.433 -4.571 1.00 0.00 C ATOM 608 C CYS A 38 -0.380 4.485 -5.261 1.00 0.00 C ATOM 609 O CYS A 38 -0.748 3.562 -5.986 1.00 0.00 O ATOM 610 CB CYS A 38 1.979 5.414 -5.197 1.00 0.00 C ATOM 611 SG CYS A 38 3.735 5.079 -4.808 1.00 0.00 S ATOM 0 H CYS A 38 1.849 2.783 -5.530 1.00 0.00 H new ATOM 0 HA CYS A 38 0.878 4.742 -3.531 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.852 5.397 -6.279 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.733 6.422 -4.862 1.00 0.00 H new ATOM 616 N ILE A 39 -1.093 5.573 -5.010 1.00 0.00 N ATOM 617 CA ILE A 39 -2.409 5.757 -5.598 1.00 0.00 C ATOM 618 C ILE A 39 -2.833 7.220 -5.440 1.00 0.00 C ATOM 619 O ILE A 39 -2.127 8.010 -4.817 1.00 0.00 O ATOM 620 CB ILE A 39 -3.406 4.760 -5.004 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.638 4.617 -5.900 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.780 5.146 -3.572 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.091 3.157 -5.978 1.00 0.00 C ATOM 0 H ILE A 39 -0.784 6.336 -4.408 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.382 5.546 -6.667 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.926 3.782 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.449 5.233 -5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.410 4.985 -6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.490 4.421 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.884 5.155 -2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.233 6.137 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.968 3.082 -6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.286 2.548 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.342 2.800 -4.979 1.00 0.00 H new ATOM 635 N ASP A 40 -3.985 7.533 -6.014 1.00 0.00 N ATOM 636 CA ASP A 40 -4.512 8.885 -5.945 1.00 0.00 C ATOM 637 C ASP A 40 -5.722 8.910 -5.008 1.00 0.00 C ATOM 638 O ASP A 40 -5.967 9.907 -4.332 1.00 0.00 O ATOM 639 CB ASP A 40 -4.971 9.369 -7.322 1.00 0.00 C ATOM 640 CG ASP A 40 -5.765 10.676 -7.317 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.111 11.739 -7.399 1.00 0.00 O ATOM 642 OD2 ASP A 40 -7.009 10.585 -7.230 1.00 0.00 O ATOM 0 H ASP A 40 -4.568 6.874 -6.529 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.719 9.537 -5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.094 9.497 -7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.584 8.591 -7.778 1.00 0.00 H new ATOM 647 N VAL A 41 -6.445 7.800 -5.000 1.00 0.00 N ATOM 648 CA VAL A 41 -7.623 7.681 -4.157 1.00 0.00 C ATOM 649 C VAL A 41 -7.696 6.263 -3.587 1.00 0.00 C ATOM 650 O VAL A 41 -7.381 5.295 -4.279 1.00 0.00 O ATOM 651 CB VAL A 41 -8.873 8.073 -4.947 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.365 6.909 -5.810 1.00 0.00 C ATOM 653 CG2 VAL A 41 -9.979 8.569 -4.013 1.00 0.00 C ATOM 0 H VAL A 41 -6.238 6.975 -5.563 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.560 8.368 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.604 8.893 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.254 7.215 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.583 6.622 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.608 6.060 -5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.856 8.841 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.243 7.779 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.626 9.441 -3.462 1.00 0.00 H new ATOM 663 N CYS A 42 -8.115 6.185 -2.333 1.00 0.00 N ATOM 664 CA CYS A 42 -8.234 4.901 -1.662 1.00 0.00 C ATOM 665 C CYS A 42 -9.312 4.084 -2.377 1.00 0.00 C ATOM 666 O CYS A 42 -10.480 4.469 -2.393 1.00 0.00 O ATOM 667 CB CYS A 42 -8.539 5.067 -0.172 1.00 0.00 C ATOM 668 SG CYS A 42 -8.127 3.614 0.861 1.00 0.00 S ATOM 0 H CYS A 42 -8.376 6.990 -1.763 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.283 4.371 -1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.989 5.930 0.203 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.600 5.290 -0.055 1.00 0.00 H new ATOM 673 N PRO A 43 -8.882 2.970 -2.952 1.00 0.00 N ATOM 674 CA PRO A 43 -9.844 1.962 -3.499 1.00 0.00 C ATOM 675 C PRO A 43 -10.934 1.327 -2.567 1.00 0.00 C ATOM 676 O PRO A 43 -11.186 1.826 -1.472 1.00 0.00 O ATOM 677 CB PRO A 43 -8.901 0.905 -4.116 1.00 0.00 C ATOM 678 CG PRO A 43 -7.558 1.607 -4.314 1.00 0.00 C ATOM 679 CD PRO A 43 -7.464 2.581 -3.141 1.00 0.00 C ATOM 0 HA PRO A 43 -10.525 2.469 -4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.798 0.042 -3.458 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.293 0.537 -5.064 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.732 0.895 -4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.520 2.130 -5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.048 2.109 -2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.832 3.439 -3.372 1.00 0.00 H new ATOM 687 N LYS A 44 -11.527 0.248 -3.055 1.00 0.00 N ATOM 688 CA LYS A 44 -12.557 -0.445 -2.299 1.00 0.00 C ATOM 689 C LYS A 44 -11.928 -1.088 -1.060 1.00 0.00 C ATOM 690 O LYS A 44 -10.738 -0.916 -0.803 1.00 0.00 O ATOM 691 CB LYS A 44 -13.302 -1.437 -3.194 1.00 0.00 C ATOM 692 CG LYS A 44 -14.400 -0.734 -3.996 1.00 0.00 C ATOM 693 CD LYS A 44 -13.912 -0.381 -5.401 1.00 0.00 C ATOM 694 CE LYS A 44 -13.993 -1.593 -6.331 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.071 -1.411 -7.328 1.00 0.00 N ATOM 0 H LYS A 44 -11.315 -0.164 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.310 0.260 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.599 -1.916 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.741 -2.225 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.276 -1.379 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.711 0.173 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.514 0.433 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.884 -0.023 -5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.039 -1.733 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.178 -2.495 -5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.112 -2.243 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.982 -1.300 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.878 -0.562 -7.897 1.00 0.00 H new ATOM 709 N ASN A 45 -12.758 -1.815 -0.325 1.00 0.00 N ATOM 710 CA ASN A 45 -12.298 -2.483 0.880 1.00 0.00 C ATOM 711 C ASN A 45 -13.323 -3.541 1.293 1.00 0.00 C ATOM 712 O ASN A 45 -14.516 -3.255 1.383 1.00 0.00 O ATOM 713 CB ASN A 45 -12.150 -1.493 2.037 1.00 0.00 C ATOM 714 CG ASN A 45 -11.126 -1.991 3.059 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.099 -1.378 3.297 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.463 -3.136 3.647 1.00 0.00 N ATOM 0 H ASN A 45 -13.745 -1.955 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.330 -2.935 0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.841 -0.521 1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -13.115 -1.351 2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.846 -3.552 4.344 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.339 -3.597 3.401 1.00 0.00 H new ATOM 723 N SER A 46 -12.820 -4.744 1.532 1.00 0.00 N ATOM 724 CA SER A 46 -13.677 -5.847 1.933 1.00 0.00 C ATOM 725 C SER A 46 -13.232 -6.388 3.293 1.00 0.00 C ATOM 726 O SER A 46 -12.380 -5.795 3.952 1.00 0.00 O ATOM 727 CB SER A 46 -13.662 -6.964 0.887 1.00 0.00 C ATOM 728 OG SER A 46 -12.472 -7.745 0.957 1.00 0.00 O ATOM 0 H SER A 46 -11.830 -4.979 1.456 1.00 0.00 H new ATOM 0 HA SER A 46 -14.698 -5.475 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.528 -7.609 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.753 -6.530 -0.109 1.00 0.00 H new ATOM 0 HG SER A 46 -12.502 -8.448 0.275 1.00 0.00 H new ATOM 734 N LEU A 47 -13.828 -7.508 3.673 1.00 0.00 N ATOM 735 CA LEU A 47 -13.503 -8.136 4.943 1.00 0.00 C ATOM 736 C LEU A 47 -12.372 -9.144 4.734 1.00 0.00 C ATOM 737 O LEU A 47 -11.633 -9.455 5.667 1.00 0.00 O ATOM 738 CB LEU A 47 -14.758 -8.742 5.577 1.00 0.00 C ATOM 739 CG LEU A 47 -14.555 -10.048 6.347 1.00 0.00 C ATOM 740 CD1 LEU A 47 -14.219 -11.198 5.396 1.00 0.00 C ATOM 741 CD2 LEU A 47 -13.500 -9.882 7.442 1.00 0.00 C ATOM 0 H LEU A 47 -14.535 -7.997 3.124 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.141 -7.393 5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.190 -8.006 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.491 -8.918 4.789 1.00 0.00 H new ATOM 0 HG LEU A 47 -15.493 -10.302 6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.080 -12.115 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.035 -11.334 4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.302 -10.966 4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.376 -10.825 7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.551 -9.591 6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.821 -9.111 8.142 1.00 0.00 H new ATOM 753 N LEU A 48 -12.271 -9.627 3.504 1.00 0.00 N ATOM 754 CA LEU A 48 -11.241 -10.593 3.162 1.00 0.00 C ATOM 755 C LEU A 48 -9.906 -9.867 2.983 1.00 0.00 C ATOM 756 O LEU A 48 -8.845 -10.459 3.172 1.00 0.00 O ATOM 757 CB LEU A 48 -11.663 -11.415 1.942 1.00 0.00 C ATOM 758 CG LEU A 48 -11.211 -12.875 1.928 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.688 -12.979 2.044 1.00 0.00 C ATOM 760 CD2 LEU A 48 -11.924 -13.681 3.016 1.00 0.00 C ATOM 0 H LEU A 48 -12.885 -9.367 2.732 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.107 -11.311 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.750 -11.391 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.275 -10.927 1.048 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.492 -13.310 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.393 -14.028 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.223 -12.461 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.362 -12.522 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.584 -14.716 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.696 -13.255 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.000 -13.647 2.847 1.00 0.00 H new ATOM 772 N VAL A 49 -10.003 -8.596 2.623 1.00 0.00 N ATOM 773 CA VAL A 49 -8.817 -7.784 2.417 1.00 0.00 C ATOM 774 C VAL A 49 -8.947 -6.486 3.217 1.00 0.00 C ATOM 775 O VAL A 49 -10.025 -6.164 3.712 1.00 0.00 O ATOM 776 CB VAL A 49 -8.598 -7.545 0.922 1.00 0.00 C ATOM 777 CG1 VAL A 49 -7.128 -7.245 0.623 1.00 0.00 C ATOM 778 CG2 VAL A 49 -9.093 -8.736 0.098 1.00 0.00 C ATOM 0 H VAL A 49 -10.886 -8.108 2.469 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.931 -8.304 2.782 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.183 -6.671 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.001 -7.079 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.821 -6.352 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.514 -8.090 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.926 -8.540 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.548 -9.633 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.158 -8.884 0.276 1.00 0.00 H new ATOM 788 N LYS A 50 -7.832 -5.776 3.318 1.00 0.00 N ATOM 789 CA LYS A 50 -7.808 -4.521 4.050 1.00 0.00 C ATOM 790 C LYS A 50 -6.939 -3.513 3.295 1.00 0.00 C ATOM 791 O LYS A 50 -5.746 -3.739 3.102 1.00 0.00 O ATOM 792 CB LYS A 50 -7.367 -4.752 5.496 1.00 0.00 C ATOM 793 CG LYS A 50 -7.715 -3.549 6.374 1.00 0.00 C ATOM 794 CD LYS A 50 -8.871 -3.876 7.321 1.00 0.00 C ATOM 795 CE LYS A 50 -8.775 -3.054 8.608 1.00 0.00 C ATOM 796 NZ LYS A 50 -9.530 -3.710 9.700 1.00 0.00 N ATOM 0 H LYS A 50 -6.939 -6.046 2.905 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.810 -4.096 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.851 -5.646 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.292 -4.931 5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.840 -3.251 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.985 -2.701 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.820 -3.673 6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.859 -4.939 7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.730 -2.941 8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.168 -2.052 8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.454 -3.139 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.530 -3.796 9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.136 -4.657 9.874 1.00 0.00 H new ATOM 810 N TYR A 51 -7.573 -2.421 2.889 1.00 0.00 N ATOM 811 CA TYR A 51 -6.872 -1.378 2.160 1.00 0.00 C ATOM 812 C TYR A 51 -6.455 -0.240 3.095 1.00 0.00 C ATOM 813 O TYR A 51 -7.250 0.652 3.385 1.00 0.00 O ATOM 814 CB TYR A 51 -7.869 -0.839 1.132 1.00 0.00 C ATOM 815 CG TYR A 51 -7.896 -1.623 -0.180 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.287 -2.947 -0.185 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.529 -1.008 -1.360 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.312 -3.686 -1.421 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.553 -1.746 -2.596 1.00 0.00 C ATOM 820 CZ TYR A 51 -7.944 -3.049 -2.565 1.00 0.00 C ATOM 821 OH TYR A 51 -7.967 -3.747 -3.733 1.00 0.00 O ATOM 0 H TYR A 51 -8.563 -2.237 3.051 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.968 -1.774 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.867 -0.849 1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.626 0.201 0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.574 -3.429 0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.224 0.028 -1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.616 -4.722 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.267 -1.277 -3.526 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.790 -3.139 -4.481 1.00 0.00 H new ATOM 831 N VAL A 52 -5.209 -0.310 3.541 1.00 0.00 N ATOM 832 CA VAL A 52 -4.679 0.702 4.437 1.00 0.00 C ATOM 833 C VAL A 52 -4.018 1.810 3.615 1.00 0.00 C ATOM 834 O VAL A 52 -2.878 1.666 3.175 1.00 0.00 O ATOM 835 CB VAL A 52 -3.726 0.060 5.448 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.596 0.924 6.705 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.179 -1.358 5.802 1.00 0.00 C ATOM 0 H VAL A 52 -4.552 -1.052 3.298 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.483 1.159 5.013 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.741 -0.007 4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.913 0.445 7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.207 1.905 6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.575 1.038 7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.485 -1.792 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.178 -1.323 6.236 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.197 -1.970 4.900 1.00 0.00 H new ATOM 847 N CYS A 53 -4.762 2.891 3.431 1.00 0.00 N ATOM 848 CA CYS A 53 -4.262 4.023 2.668 1.00 0.00 C ATOM 849 C CYS A 53 -3.663 5.036 3.647 1.00 0.00 C ATOM 850 O CYS A 53 -4.101 5.130 4.793 1.00 0.00 O ATOM 851 CB CYS A 53 -5.356 4.646 1.799 1.00 0.00 C ATOM 852 SG CYS A 53 -6.068 3.525 0.540 1.00 0.00 S ATOM 0 H CYS A 53 -5.707 3.007 3.797 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.489 3.687 1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.159 4.998 2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.946 5.521 1.295 1.00 0.00 H new ATOM 857 N CYS A 54 -2.673 5.768 3.159 1.00 0.00 N ATOM 858 CA CYS A 54 -2.010 6.770 3.977 1.00 0.00 C ATOM 859 C CYS A 54 -1.410 7.827 3.048 1.00 0.00 C ATOM 860 O CYS A 54 -1.390 7.650 1.831 1.00 0.00 O ATOM 861 CB CYS A 54 -0.954 6.146 4.891 1.00 0.00 C ATOM 862 SG CYS A 54 -0.344 4.507 4.351 1.00 0.00 S ATOM 0 H CYS A 54 -2.314 5.688 2.208 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.736 7.241 4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.107 6.828 4.962 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.372 6.051 5.893 1.00 0.00 H new ATOM 867 N ASN A 55 -0.934 8.902 3.658 1.00 0.00 N ATOM 868 CA ASN A 55 -0.334 9.988 2.900 1.00 0.00 C ATOM 869 C ASN A 55 0.963 10.425 3.584 1.00 0.00 C ATOM 870 O ASN A 55 1.371 11.579 3.468 1.00 0.00 O ATOM 871 CB ASN A 55 -1.267 11.199 2.839 1.00 0.00 C ATOM 872 CG ASN A 55 -1.312 11.925 4.185 1.00 0.00 C ATOM 873 OD1 ASN A 55 -1.148 11.338 5.242 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.543 13.231 4.088 1.00 0.00 N ATOM 0 H ASN A 55 -0.951 9.045 4.668 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.144 9.628 1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.928 11.885 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.271 10.876 2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.592 13.804 4.930 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.671 13.660 3.171 1.00 0.00 H new ATOM 881 N THR A 56 1.575 9.479 4.281 1.00 0.00 N ATOM 882 CA THR A 56 2.817 9.752 4.983 1.00 0.00 C ATOM 883 C THR A 56 3.972 8.977 4.345 1.00 0.00 C ATOM 884 O THR A 56 3.801 7.832 3.930 1.00 0.00 O ATOM 885 CB THR A 56 2.607 9.420 6.463 1.00 0.00 C ATOM 886 OG1 THR A 56 1.976 8.142 6.445 1.00 0.00 O ATOM 887 CG2 THR A 56 1.577 10.336 7.128 1.00 0.00 C ATOM 0 H THR A 56 1.234 8.522 4.374 1.00 0.00 H new ATOM 0 HA THR A 56 3.091 10.804 4.906 1.00 0.00 H new ATOM 0 HB THR A 56 3.557 9.499 6.992 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.805 7.849 7.364 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.466 10.058 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.913 11.371 7.061 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.617 10.233 6.622 1.00 0.00 H new ATOM 895 N ASP A 57 5.122 9.634 4.287 1.00 0.00 N ATOM 896 CA ASP A 57 6.304 9.022 3.706 1.00 0.00 C ATOM 897 C ASP A 57 6.699 7.799 4.535 1.00 0.00 C ATOM 898 O ASP A 57 6.921 7.906 5.741 1.00 0.00 O ATOM 899 CB ASP A 57 7.484 9.994 3.706 1.00 0.00 C ATOM 900 CG ASP A 57 7.190 11.369 3.103 1.00 0.00 C ATOM 901 OD1 ASP A 57 6.948 11.410 1.876 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.213 12.348 3.879 1.00 0.00 O ATOM 0 H ASP A 57 5.259 10.584 4.633 1.00 0.00 H new ATOM 0 HA ASP A 57 6.068 8.741 2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.823 10.130 4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.308 9.541 3.155 1.00 0.00 H new ATOM 907 N ARG A 58 6.776 6.662 3.857 1.00 0.00 N ATOM 908 CA ARG A 58 7.141 5.420 4.516 1.00 0.00 C ATOM 909 C ARG A 58 6.009 4.954 5.435 1.00 0.00 C ATOM 910 O ARG A 58 6.261 4.411 6.508 1.00 0.00 O ATOM 911 CB ARG A 58 8.419 5.589 5.339 1.00 0.00 C ATOM 912 CG ARG A 58 9.368 6.592 4.680 1.00 0.00 C ATOM 913 CD ARG A 58 10.800 6.404 5.183 1.00 0.00 C ATOM 914 NE ARG A 58 11.561 7.664 5.028 1.00 0.00 N ATOM 915 CZ ARG A 58 12.648 7.980 5.747 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.108 7.128 6.673 1.00 0.00 N ATOM 917 NH2 ARG A 58 13.272 9.146 5.538 1.00 0.00 N ATOM 0 H ARG A 58 6.592 6.576 2.858 1.00 0.00 H new ATOM 0 HA ARG A 58 7.316 4.673 3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.166 5.928 6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.918 4.626 5.444 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.340 6.468 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.034 7.608 4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.790 6.102 6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.288 5.604 4.626 1.00 0.00 H new ATOM 0 HE ARG A 58 11.238 8.334 4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.632 6.240 6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.935 7.367 7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.921 9.793 4.832 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.099 9.387 6.084 1.00 0.00 H new ATOM 931 N CYS A 59 4.786 5.185 4.978 1.00 0.00 N ATOM 932 CA CYS A 59 3.616 4.796 5.746 1.00 0.00 C ATOM 933 C CYS A 59 3.434 3.283 5.610 1.00 0.00 C ATOM 934 O CYS A 59 3.071 2.609 6.573 1.00 0.00 O ATOM 935 CB CYS A 59 2.368 5.563 5.302 1.00 0.00 C ATOM 936 SG CYS A 59 1.545 4.892 3.813 1.00 0.00 S ATOM 0 H CYS A 59 4.581 5.636 4.086 1.00 0.00 H new ATOM 0 HA CYS A 59 3.765 5.050 6.795 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.652 5.570 6.124 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.645 6.600 5.111 1.00 0.00 H new ATOM 941 N ASN A 60 3.693 2.793 4.407 1.00 0.00 N ATOM 942 CA ASN A 60 3.562 1.373 4.133 1.00 0.00 C ATOM 943 C ASN A 60 4.929 0.700 4.283 1.00 0.00 C ATOM 944 O ASN A 60 5.044 -0.516 4.145 1.00 0.00 O ATOM 945 CB ASN A 60 3.071 1.130 2.704 1.00 0.00 C ATOM 946 CG ASN A 60 4.169 1.443 1.685 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.257 1.881 2.022 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.824 1.196 0.425 1.00 0.00 N ATOM 0 H ASN A 60 3.993 3.355 3.610 1.00 0.00 H new ATOM 0 HA ASN A 60 2.841 0.960 4.838 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.755 0.092 2.596 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.198 1.751 2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.487 1.373 -0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.896 0.829 0.213 1.00 0.00 H new TER 955 ASN A 60