USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 494 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 ASN : amide:sc= -3.11 K(o=-3.1,f=-5.9!) USER MOD Single : A 1 LEU N :NH3+ -142:sc= -3.82! (180deg=-6.26!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.141) 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 9:sc= 0.96 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -9.47! C(o=-9.5!,f=-20!) USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 24 MET CE :methyl -107:sc= -0.964 (180deg=-4.26!) USER MOD Single : A 26 MET CE :methyl 149:sc= -0.342 (180deg=-2.19!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -2! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=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 SER OG : rot 74:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.353 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.608 K(o=-0.61,f=-1.8!) USER MOD Single : A 56 THR OG1 : rot 89:sc= 0.382 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 13.008 7.714 2.031 1.00 0.00 N ATOM 2 CA LEU A 1 11.689 7.089 2.339 1.00 0.00 C ATOM 3 C LEU A 1 11.611 5.711 1.681 1.00 0.00 C ATOM 4 O LEU A 1 11.992 5.534 0.542 1.00 0.00 O ATOM 5 CB LEU A 1 10.559 7.972 1.798 1.00 0.00 C ATOM 6 CG LEU A 1 10.514 9.299 2.563 1.00 0.00 C ATOM 7 CD1 LEU A 1 10.690 9.043 4.061 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.638 10.213 2.067 1.00 0.00 C ATOM 0 H1 LEU A 1 13.349 8.233 2.865 1.00 0.00 H new ATOM 0 H2 LEU A 1 13.693 6.973 1.780 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.902 8.372 1.233 1.00 0.00 H new ATOM 0 HA LEU A 1 11.584 6.987 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.712 8.161 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.605 7.455 1.896 1.00 0.00 H new ATOM 0 HG LEU A 1 9.550 9.778 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.657 9.991 4.598 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.888 8.396 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 1 11.651 8.559 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.606 11.157 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.601 9.730 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.508 10.404 1.002 1.00 0.00 H new ATOM 22 N LYS A 2 11.115 4.733 2.389 1.00 0.00 N ATOM 23 CA LYS A 2 11.005 3.366 1.805 1.00 0.00 C ATOM 24 C LYS A 2 9.988 2.557 2.610 1.00 0.00 C ATOM 25 O LYS A 2 9.986 2.579 3.825 1.00 0.00 O ATOM 26 CB LYS A 2 12.368 2.674 1.858 1.00 0.00 C ATOM 27 CG LYS A 2 12.717 2.347 3.311 1.00 0.00 C ATOM 28 CD LYS A 2 14.214 2.568 3.540 1.00 0.00 C ATOM 29 CE LYS A 2 14.923 1.216 3.619 1.00 0.00 C ATOM 30 NZ LYS A 2 15.657 0.970 2.346 1.00 0.00 N ATOM 0 H LYS A 2 10.781 4.822 3.349 1.00 0.00 H new ATOM 0 HA LYS A 2 10.679 3.436 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.348 1.761 1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.133 3.319 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.138 2.978 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.453 1.314 3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.633 3.163 2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.373 3.128 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.616 1.205 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.197 0.421 3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.141 0.051 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.984 0.964 1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.359 1.723 2.199 1.00 0.00 H new ATOM 44 N CYS A 3 9.118 1.845 1.947 1.00 0.00 N ATOM 45 CA CYS A 3 8.105 1.044 2.686 1.00 0.00 C ATOM 46 C CYS A 3 8.236 -0.435 2.298 1.00 0.00 C ATOM 47 O CYS A 3 9.232 -0.852 1.741 1.00 0.00 O ATOM 48 CB CYS A 3 6.701 1.592 2.367 1.00 0.00 C ATOM 49 SG CYS A 3 5.926 0.712 0.987 1.00 0.00 S ATOM 0 H CYS A 3 9.066 1.784 0.930 1.00 0.00 H new ATOM 0 HA CYS A 3 8.268 1.122 3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.069 1.507 3.251 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.772 2.653 2.126 1.00 0.00 H new ATOM 54 N ASN A 4 7.245 -1.232 2.592 1.00 0.00 N ATOM 55 CA ASN A 4 7.330 -2.678 2.242 1.00 0.00 C ATOM 56 C ASN A 4 6.452 -2.966 1.023 1.00 0.00 C ATOM 57 O ASN A 4 5.583 -2.191 0.674 1.00 0.00 O ATOM 58 CB ASN A 4 6.853 -3.517 3.429 1.00 0.00 C ATOM 59 CG ASN A 4 8.033 -4.304 4.001 1.00 0.00 C ATOM 60 OD1 ASN A 4 8.628 -3.902 4.981 1.00 0.00 O ATOM 61 ND2 ASN A 4 8.401 -5.416 3.426 1.00 0.00 N ATOM 0 H ASN A 4 6.384 -0.946 3.057 1.00 0.00 H new ATOM 0 HA ASN A 4 8.363 -2.934 2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.426 -2.872 4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.065 -4.200 3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.188 -5.947 3.799 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.902 -5.754 2.603 1.00 0.00 H new ATOM 68 N LYS A 5 6.673 -4.075 0.369 1.00 0.00 N ATOM 69 CA LYS A 5 5.853 -4.409 -0.826 1.00 0.00 C ATOM 70 C LYS A 5 5.099 -5.722 -0.586 1.00 0.00 C ATOM 71 O LYS A 5 4.705 -6.027 0.522 1.00 0.00 O ATOM 72 CB LYS A 5 6.766 -4.554 -2.045 1.00 0.00 C ATOM 73 CG LYS A 5 6.027 -4.077 -3.297 1.00 0.00 C ATOM 74 CD LYS A 5 7.010 -3.377 -4.238 1.00 0.00 C ATOM 75 CE LYS A 5 6.244 -2.755 -5.407 1.00 0.00 C ATOM 76 NZ LYS A 5 5.697 -3.837 -6.273 1.00 0.00 N ATOM 0 H LYS A 5 7.386 -4.762 0.612 1.00 0.00 H new ATOM 0 HA LYS A 5 5.132 -3.611 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.676 -3.971 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.070 -5.594 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.564 -4.924 -3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.224 -3.394 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.560 -2.606 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.745 -4.091 -4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.434 -2.129 -5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.904 -2.109 -5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.325 -3.424 -7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.453 -4.514 -6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.931 -4.330 -5.771 1.00 0.00 H new ATOM 90 N LEU A 6 4.894 -6.502 -1.616 1.00 0.00 N ATOM 91 CA LEU A 6 4.164 -7.791 -1.444 1.00 0.00 C ATOM 92 C LEU A 6 5.171 -8.949 -1.440 1.00 0.00 C ATOM 93 O LEU A 6 5.927 -9.113 -0.502 1.00 0.00 O ATOM 94 CB LEU A 6 3.170 -7.967 -2.593 1.00 0.00 C ATOM 95 CG LEU A 6 2.066 -6.915 -2.485 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.496 -5.646 -3.223 1.00 0.00 C ATOM 97 CD2 LEU A 6 0.784 -7.462 -3.116 1.00 0.00 C ATOM 0 H LEU A 6 5.201 -6.301 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 6 3.621 -7.785 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.684 -7.872 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.737 -8.967 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 6 1.886 -6.680 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.709 -4.896 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.412 -5.258 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.674 -5.878 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.006 -6.715 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.965 -7.694 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.478 -8.367 -2.592 1.00 0.00 H new ATOM 109 N VAL A 7 5.201 -9.754 -2.473 1.00 0.00 N ATOM 110 CA VAL A 7 6.173 -10.880 -2.495 1.00 0.00 C ATOM 111 C VAL A 7 7.242 -10.710 -3.606 1.00 0.00 C ATOM 112 O VAL A 7 7.840 -11.693 -3.997 1.00 0.00 O ATOM 113 CB VAL A 7 5.431 -12.207 -2.725 1.00 0.00 C ATOM 114 CG1 VAL A 7 5.921 -13.245 -1.715 1.00 0.00 C ATOM 115 CG2 VAL A 7 3.918 -12.013 -2.550 1.00 0.00 C ATOM 0 H VAL A 7 4.599 -9.678 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 7 6.680 -10.884 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 7 5.631 -12.548 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.396 -14.186 -1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.992 -13.400 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.725 -12.889 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.408 -12.962 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.711 -11.662 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.560 -11.277 -3.270 1.00 0.00 H new ATOM 125 N PRO A 8 7.494 -9.497 -4.085 1.00 0.00 N ATOM 126 CA PRO A 8 8.523 -9.286 -5.123 1.00 0.00 C ATOM 127 C PRO A 8 9.909 -9.314 -4.476 1.00 0.00 C ATOM 128 O PRO A 8 10.571 -10.332 -4.436 1.00 0.00 O ATOM 129 CB PRO A 8 8.221 -7.889 -5.666 1.00 0.00 C ATOM 130 CG PRO A 8 7.440 -7.155 -4.554 1.00 0.00 C ATOM 131 CD PRO A 8 6.812 -8.247 -3.670 1.00 0.00 C ATOM 0 HA PRO A 8 8.511 -10.047 -5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.141 -7.359 -5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.633 -7.946 -6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.103 -6.517 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.671 -6.511 -4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.970 -8.041 -2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.735 -8.312 -3.824 1.00 0.00 H new ATOM 139 N LEU A 9 10.341 -8.199 -3.954 1.00 0.00 N ATOM 140 CA LEU A 9 11.672 -8.148 -3.287 1.00 0.00 C ATOM 141 C LEU A 9 11.458 -8.093 -1.772 1.00 0.00 C ATOM 142 O LEU A 9 11.343 -9.107 -1.113 1.00 0.00 O ATOM 143 CB LEU A 9 12.429 -6.896 -3.740 1.00 0.00 C ATOM 144 CG LEU A 9 13.008 -7.119 -5.137 1.00 0.00 C ATOM 145 CD1 LEU A 9 14.138 -8.147 -5.065 1.00 0.00 C ATOM 146 CD2 LEU A 9 11.910 -7.634 -6.069 1.00 0.00 C ATOM 0 H LEU A 9 9.827 -7.318 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 9 12.253 -9.031 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.758 -6.037 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.230 -6.669 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 9 13.399 -6.177 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.550 -8.305 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.922 -7.780 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.749 -9.089 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.323 -7.793 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.518 -8.576 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.105 -6.901 -6.123 1.00 0.00 H new ATOM 158 N PHE A 10 11.393 -6.912 -1.219 1.00 0.00 N ATOM 159 CA PHE A 10 11.174 -6.780 0.248 1.00 0.00 C ATOM 160 C PHE A 10 10.669 -5.367 0.549 1.00 0.00 C ATOM 161 O PHE A 10 9.492 -5.145 0.764 1.00 0.00 O ATOM 162 CB PHE A 10 12.493 -7.017 0.988 1.00 0.00 C ATOM 163 CG PHE A 10 12.771 -8.500 1.073 1.00 0.00 C ATOM 164 CD1 PHE A 10 11.795 -9.371 1.574 1.00 0.00 C ATOM 165 CD2 PHE A 10 14.008 -9.003 0.653 1.00 0.00 C ATOM 166 CE1 PHE A 10 12.057 -10.745 1.653 1.00 0.00 C ATOM 167 CE2 PHE A 10 14.270 -10.376 0.732 1.00 0.00 C ATOM 168 CZ PHE A 10 13.294 -11.247 1.233 1.00 0.00 C ATOM 0 H PHE A 10 11.483 -6.030 -1.723 1.00 0.00 H new ATOM 0 HA PHE A 10 10.440 -7.515 0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.308 -6.514 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.441 -6.589 1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.841 -8.983 1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.761 -8.331 0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.304 -11.417 2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 10 15.224 -10.763 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.496 -12.306 1.295 1.00 0.00 H new ATOM 178 N TYR A 11 11.556 -4.410 0.560 1.00 0.00 N ATOM 179 CA TYR A 11 11.143 -3.006 0.842 1.00 0.00 C ATOM 180 C TYR A 11 11.560 -2.112 -0.328 1.00 0.00 C ATOM 181 O TYR A 11 12.690 -2.146 -0.774 1.00 0.00 O ATOM 182 CB TYR A 11 11.823 -2.518 2.125 1.00 0.00 C ATOM 183 CG TYR A 11 13.159 -3.206 2.287 1.00 0.00 C ATOM 184 CD1 TYR A 11 14.253 -2.810 1.508 1.00 0.00 C ATOM 185 CD2 TYR A 11 13.300 -4.242 3.217 1.00 0.00 C ATOM 186 CE1 TYR A 11 15.489 -3.452 1.660 1.00 0.00 C ATOM 187 CE2 TYR A 11 14.535 -4.884 3.369 1.00 0.00 C ATOM 188 CZ TYR A 11 15.630 -4.489 2.591 1.00 0.00 C ATOM 189 OH TYR A 11 16.847 -5.122 2.740 1.00 0.00 O ATOM 0 H TYR A 11 12.552 -4.541 0.385 1.00 0.00 H new ATOM 0 HA TYR A 11 10.061 -2.963 0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.962 -1.438 2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.189 -2.727 2.986 1.00 0.00 H new ATOM 0 HD1 TYR A 11 14.144 -2.010 0.790 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.456 -4.547 3.818 1.00 0.00 H new ATOM 0 HE1 TYR A 11 16.333 -3.147 1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 11 14.643 -5.684 4.086 1.00 0.00 H new ATOM 0 HH TYR A 11 16.773 -5.816 3.428 1.00 0.00 H new ATOM 199 N LYS A 12 10.659 -1.314 -0.830 1.00 0.00 N ATOM 200 CA LYS A 12 11.010 -0.422 -1.971 1.00 0.00 C ATOM 201 C LYS A 12 11.195 1.009 -1.464 1.00 0.00 C ATOM 202 O LYS A 12 10.592 1.418 -0.492 1.00 0.00 O ATOM 203 CB LYS A 12 9.885 -0.447 -3.008 1.00 0.00 C ATOM 204 CG LYS A 12 10.357 -1.194 -4.257 1.00 0.00 C ATOM 205 CD LYS A 12 11.050 -0.214 -5.206 1.00 0.00 C ATOM 206 CE LYS A 12 10.370 -0.260 -6.575 1.00 0.00 C ATOM 207 NZ LYS A 12 11.200 -1.065 -7.515 1.00 0.00 N ATOM 0 H LYS A 12 9.696 -1.241 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 12 11.936 -0.771 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.003 -0.934 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.594 0.571 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.043 -1.994 -3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.509 -1.662 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.004 0.796 -4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.105 -0.471 -5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.376 -0.698 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.239 0.750 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.738 -1.097 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.139 -0.629 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.303 -2.032 -7.147 1.00 0.00 H new ATOM 221 N THR A 13 12.025 1.774 -2.118 1.00 0.00 N ATOM 222 CA THR A 13 12.246 3.178 -1.677 1.00 0.00 C ATOM 223 C THR A 13 11.471 4.127 -2.595 1.00 0.00 C ATOM 224 O THR A 13 11.525 4.016 -3.804 1.00 0.00 O ATOM 225 CB THR A 13 13.744 3.504 -1.741 1.00 0.00 C ATOM 226 OG1 THR A 13 14.012 4.652 -0.948 1.00 0.00 O ATOM 227 CG2 THR A 13 14.156 3.776 -3.191 1.00 0.00 C ATOM 0 H THR A 13 12.559 1.487 -2.938 1.00 0.00 H new ATOM 0 HA THR A 13 11.895 3.299 -0.652 1.00 0.00 H new ATOM 0 HB THR A 13 14.313 2.656 -1.361 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.214 4.885 -0.430 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.221 4.007 -3.230 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.954 2.894 -3.798 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.587 4.621 -3.578 1.00 0.00 H new ATOM 235 N CYS A 14 10.757 5.063 -2.034 1.00 0.00 N ATOM 236 CA CYS A 14 9.989 6.016 -2.880 1.00 0.00 C ATOM 237 C CYS A 14 10.239 7.451 -2.401 1.00 0.00 C ATOM 238 O CYS A 14 9.311 8.151 -2.043 1.00 0.00 O ATOM 239 CB CYS A 14 8.498 5.697 -2.775 1.00 0.00 C ATOM 240 SG CYS A 14 8.068 5.403 -1.041 1.00 0.00 S ATOM 0 H CYS A 14 10.673 5.208 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 14 10.312 5.921 -3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.909 6.524 -3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.259 4.818 -3.375 1.00 0.00 H new ATOM 245 N PRO A 15 11.487 7.851 -2.416 1.00 0.00 N ATOM 246 CA PRO A 15 11.888 9.204 -1.997 1.00 0.00 C ATOM 247 C PRO A 15 11.592 10.198 -3.119 1.00 0.00 C ATOM 248 O PRO A 15 11.153 11.307 -2.887 1.00 0.00 O ATOM 249 CB PRO A 15 13.396 9.077 -1.766 1.00 0.00 C ATOM 250 CG PRO A 15 13.862 7.857 -2.596 1.00 0.00 C ATOM 251 CD PRO A 15 12.611 6.996 -2.851 1.00 0.00 C ATOM 0 HA PRO A 15 11.360 9.562 -1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.915 9.982 -2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.617 8.935 -0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 15 14.311 8.177 -3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.621 7.289 -2.058 1.00 0.00 H new ATOM 0 HD2 PRO A 15 12.522 6.726 -3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.646 6.065 -2.284 1.00 0.00 H new ATOM 259 N ALA A 16 11.825 9.797 -4.336 1.00 0.00 N ATOM 260 CA ALA A 16 11.557 10.699 -5.490 1.00 0.00 C ATOM 261 C ALA A 16 10.392 10.134 -6.304 1.00 0.00 C ATOM 262 O ALA A 16 9.681 10.857 -6.973 1.00 0.00 O ATOM 263 CB ALA A 16 12.805 10.786 -6.372 1.00 0.00 C ATOM 0 H ALA A 16 12.192 8.878 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 16 11.304 11.695 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.608 11.446 -7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.636 11.181 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.060 9.792 -6.740 1.00 0.00 H new ATOM 269 N GLY A 17 10.188 8.845 -6.249 1.00 0.00 N ATOM 270 CA GLY A 17 9.066 8.237 -7.018 1.00 0.00 C ATOM 271 C GLY A 17 7.741 8.839 -6.546 1.00 0.00 C ATOM 272 O GLY A 17 7.025 9.459 -7.306 1.00 0.00 O ATOM 0 H GLY A 17 10.749 8.189 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.201 8.418 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.058 7.156 -6.877 1.00 0.00 H new ATOM 276 N LYS A 18 7.411 8.667 -5.295 1.00 0.00 N ATOM 277 CA LYS A 18 6.135 9.234 -4.778 1.00 0.00 C ATOM 278 C LYS A 18 6.392 9.929 -3.437 1.00 0.00 C ATOM 279 O LYS A 18 6.929 11.017 -3.394 1.00 0.00 O ATOM 280 CB LYS A 18 5.113 8.112 -4.606 1.00 0.00 C ATOM 281 CG LYS A 18 4.343 7.925 -5.915 1.00 0.00 C ATOM 282 CD LYS A 18 4.686 6.562 -6.520 1.00 0.00 C ATOM 283 CE LYS A 18 5.866 6.715 -7.482 1.00 0.00 C ATOM 284 NZ LYS A 18 5.750 5.710 -8.576 1.00 0.00 N ATOM 0 H LYS A 18 7.970 8.159 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 18 5.742 9.965 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.616 7.185 -4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.424 8.353 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.271 7.994 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.598 8.720 -6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.936 5.854 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.822 6.158 -7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.880 7.722 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.805 6.578 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.552 5.814 -9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.756 4.753 -8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.860 5.861 -9.093 1.00 0.00 H new ATOM 298 N ASN A 19 6.026 9.320 -2.337 1.00 0.00 N ATOM 299 CA ASN A 19 6.275 9.980 -1.025 1.00 0.00 C ATOM 300 C ASN A 19 5.783 9.092 0.123 1.00 0.00 C ATOM 301 O ASN A 19 6.352 9.095 1.198 1.00 0.00 O ATOM 302 CB ASN A 19 5.558 11.340 -0.989 1.00 0.00 C ATOM 303 CG ASN A 19 4.103 11.168 -0.539 1.00 0.00 C ATOM 304 OD1 ASN A 19 3.844 10.735 0.566 1.00 0.00 O ATOM 305 ND2 ASN A 19 3.137 11.502 -1.350 1.00 0.00 N ATOM 0 H ASN A 19 5.572 8.408 -2.292 1.00 0.00 H new ATOM 0 HA ASN A 19 7.347 10.135 -0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.078 12.014 -0.308 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.587 11.800 -1.977 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.166 11.399 -1.056 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.353 11.866 -2.278 1.00 0.00 H new ATOM 312 N LEU A 20 4.732 8.340 -0.074 1.00 0.00 N ATOM 313 CA LEU A 20 4.241 7.483 1.049 1.00 0.00 C ATOM 314 C LEU A 20 3.966 6.061 0.562 1.00 0.00 C ATOM 315 O LEU A 20 4.148 5.744 -0.593 1.00 0.00 O ATOM 316 CB LEU A 20 2.954 8.078 1.631 1.00 0.00 C ATOM 317 CG LEU A 20 2.103 8.692 0.514 1.00 0.00 C ATOM 318 CD1 LEU A 20 1.285 7.595 -0.169 1.00 0.00 C ATOM 319 CD2 LEU A 20 1.158 9.734 1.118 1.00 0.00 C ATOM 0 H LEU A 20 4.201 8.281 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 20 5.012 7.449 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.387 7.303 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.199 8.839 2.372 1.00 0.00 H new ATOM 0 HG LEU A 20 2.752 9.167 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.680 8.033 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.958 6.851 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.633 7.118 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.550 10.175 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.509 9.255 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.741 10.515 1.605 1.00 0.00 H new ATOM 331 N CYS A 21 3.527 5.203 1.447 1.00 0.00 N ATOM 332 CA CYS A 21 3.230 3.799 1.053 1.00 0.00 C ATOM 333 C CYS A 21 1.736 3.540 1.207 1.00 0.00 C ATOM 334 O CYS A 21 1.203 3.562 2.297 1.00 0.00 O ATOM 335 CB CYS A 21 4.003 2.832 1.947 1.00 0.00 C ATOM 336 SG CYS A 21 3.975 1.175 1.209 1.00 0.00 S ATOM 0 H CYS A 21 3.362 5.419 2.430 1.00 0.00 H new ATOM 0 HA CYS A 21 3.529 3.646 0.016 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.032 3.172 2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.560 2.806 2.942 1.00 0.00 H new ATOM 341 N TYR A 22 1.057 3.303 0.125 1.00 0.00 N ATOM 342 CA TYR A 22 -0.407 3.051 0.209 1.00 0.00 C ATOM 343 C TYR A 22 -0.694 1.553 0.107 1.00 0.00 C ATOM 344 O TYR A 22 0.023 0.811 -0.534 1.00 0.00 O ATOM 345 CB TYR A 22 -1.122 3.798 -0.925 1.00 0.00 C ATOM 346 CG TYR A 22 -1.018 3.012 -2.212 1.00 0.00 C ATOM 347 CD1 TYR A 22 0.193 2.971 -2.912 1.00 0.00 C ATOM 348 CD2 TYR A 22 -2.133 2.323 -2.702 1.00 0.00 C ATOM 349 CE1 TYR A 22 0.289 2.242 -4.102 1.00 0.00 C ATOM 350 CE2 TYR A 22 -2.037 1.594 -3.893 1.00 0.00 C ATOM 351 CZ TYR A 22 -0.826 1.553 -4.593 1.00 0.00 C ATOM 352 OH TYR A 22 -0.733 0.833 -5.767 1.00 0.00 O ATOM 0 H TYR A 22 1.451 3.272 -0.815 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.775 3.412 1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.170 3.950 -0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.679 4.785 -1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.054 3.502 -2.533 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.067 2.354 -2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.224 2.211 -4.642 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.898 1.063 -4.272 1.00 0.00 H new ATOM 0 HH TYR A 22 0.183 0.502 -5.876 1.00 0.00 H new ATOM 362 N LYS A 23 -1.747 1.110 0.732 1.00 0.00 N ATOM 363 CA LYS A 23 -2.099 -0.333 0.672 1.00 0.00 C ATOM 364 C LYS A 23 -3.510 -0.480 0.100 1.00 0.00 C ATOM 365 O LYS A 23 -4.431 0.187 0.524 1.00 0.00 O ATOM 366 CB LYS A 23 -2.056 -0.926 2.081 1.00 0.00 C ATOM 367 CG LYS A 23 -0.770 -1.735 2.256 1.00 0.00 C ATOM 368 CD LYS A 23 -0.338 -1.693 3.722 1.00 0.00 C ATOM 369 CE LYS A 23 -0.780 -2.980 4.421 1.00 0.00 C ATOM 370 NZ LYS A 23 0.045 -3.189 5.644 1.00 0.00 N ATOM 0 H LYS A 23 -2.381 1.688 1.284 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.388 -0.860 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.101 -0.129 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.924 -1.564 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.931 -2.766 1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.018 -1.328 1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.744 -1.583 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.778 -0.828 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.835 -2.918 4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.671 -3.829 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.255 -4.064 6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.047 -3.266 5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.081 -2.383 6.289 1.00 0.00 H new ATOM 384 N MET A 24 -3.691 -1.354 -0.850 1.00 0.00 N ATOM 385 CA MET A 24 -5.040 -1.551 -1.437 1.00 0.00 C ATOM 386 C MET A 24 -5.632 -2.818 -0.839 1.00 0.00 C ATOM 387 O MET A 24 -5.170 -3.909 -1.108 1.00 0.00 O ATOM 388 CB MET A 24 -4.924 -1.704 -2.955 1.00 0.00 C ATOM 389 CG MET A 24 -6.112 -1.017 -3.630 1.00 0.00 C ATOM 390 SD MET A 24 -5.749 -0.782 -5.388 1.00 0.00 S ATOM 391 CE MET A 24 -5.081 0.894 -5.257 1.00 0.00 C ATOM 0 H MET A 24 -2.957 -1.942 -1.245 1.00 0.00 H new ATOM 0 HA MET A 24 -5.678 -0.694 -1.219 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.990 -1.265 -3.305 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.900 -2.760 -3.224 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.012 -1.621 -3.510 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.308 -0.055 -3.156 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.800 1.605 -5.664 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.891 1.129 -4.210 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.149 0.959 -5.818 1.00 0.00 H new ATOM 401 N PHE A 25 -6.632 -2.678 -0.014 1.00 0.00 N ATOM 402 CA PHE A 25 -7.250 -3.871 0.628 1.00 0.00 C ATOM 403 C PHE A 25 -8.574 -4.202 -0.059 1.00 0.00 C ATOM 404 O PHE A 25 -9.069 -3.452 -0.876 1.00 0.00 O ATOM 405 CB PHE A 25 -7.525 -3.561 2.102 1.00 0.00 C ATOM 406 CG PHE A 25 -6.281 -3.798 2.929 1.00 0.00 C ATOM 407 CD1 PHE A 25 -5.022 -3.851 2.317 1.00 0.00 C ATOM 408 CD2 PHE A 25 -6.391 -3.962 4.316 1.00 0.00 C ATOM 409 CE1 PHE A 25 -3.876 -4.067 3.091 1.00 0.00 C ATOM 410 CE2 PHE A 25 -5.245 -4.179 5.089 1.00 0.00 C ATOM 411 CZ PHE A 25 -3.988 -4.232 4.477 1.00 0.00 C ATOM 0 H PHE A 25 -7.050 -1.784 0.244 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.570 -4.719 0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.849 -2.526 2.209 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -8.338 -4.189 2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.936 -3.725 1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.361 -3.921 4.789 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.905 -4.106 2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.331 -4.306 6.158 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.104 -4.400 5.074 1.00 0.00 H new ATOM 421 N MET A 26 -9.158 -5.314 0.287 1.00 0.00 N ATOM 422 CA MET A 26 -10.463 -5.701 -0.315 1.00 0.00 C ATOM 423 C MET A 26 -11.376 -6.189 0.809 1.00 0.00 C ATOM 424 O MET A 26 -11.048 -7.120 1.526 1.00 0.00 O ATOM 425 CB MET A 26 -10.253 -6.819 -1.338 1.00 0.00 C ATOM 426 CG MET A 26 -11.593 -7.186 -1.979 1.00 0.00 C ATOM 427 SD MET A 26 -11.352 -7.475 -3.749 1.00 0.00 S ATOM 428 CE MET A 26 -9.890 -8.532 -3.607 1.00 0.00 C ATOM 0 H MET A 26 -8.784 -5.977 0.966 1.00 0.00 H new ATOM 0 HA MET A 26 -10.913 -4.848 -0.824 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.548 -6.497 -2.104 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.819 -7.693 -0.853 1.00 0.00 H new ATOM 0 HG2 MET A 26 -12.003 -8.078 -1.506 1.00 0.00 H new ATOM 0 HG3 MET A 26 -12.314 -6.384 -1.825 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.878 -9.249 -4.428 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.991 -7.917 -3.649 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.919 -9.068 -2.658 1.00 0.00 H new ATOM 438 N VAL A 27 -12.505 -5.555 0.990 1.00 0.00 N ATOM 439 CA VAL A 27 -13.421 -5.970 2.089 1.00 0.00 C ATOM 440 C VAL A 27 -14.664 -6.660 1.528 1.00 0.00 C ATOM 441 O VAL A 27 -15.698 -6.681 2.166 1.00 0.00 O ATOM 442 CB VAL A 27 -13.852 -4.741 2.889 1.00 0.00 C ATOM 443 CG1 VAL A 27 -14.609 -3.775 1.976 1.00 0.00 C ATOM 444 CG2 VAL A 27 -14.767 -5.178 4.034 1.00 0.00 C ATOM 0 H VAL A 27 -12.830 -4.770 0.425 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.889 -6.670 2.733 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.971 -4.243 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.916 -2.899 2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.960 -3.465 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.491 -4.272 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.076 -4.304 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.647 -5.675 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.230 -5.867 4.686 1.00 0.00 H new ATOM 454 N ALA A 28 -14.583 -7.240 0.358 1.00 0.00 N ATOM 455 CA ALA A 28 -15.782 -7.938 -0.193 1.00 0.00 C ATOM 456 C ALA A 28 -16.379 -8.788 0.928 1.00 0.00 C ATOM 457 O ALA A 28 -17.572 -8.804 1.155 1.00 0.00 O ATOM 458 CB ALA A 28 -15.369 -8.838 -1.359 1.00 0.00 C ATOM 0 H ALA A 28 -13.751 -7.261 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.512 -7.214 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.248 -9.345 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -14.914 -8.232 -2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.650 -9.579 -1.010 1.00 0.00 H new ATOM 464 N THR A 29 -15.530 -9.462 1.654 1.00 0.00 N ATOM 465 CA THR A 29 -15.986 -10.291 2.803 1.00 0.00 C ATOM 466 C THR A 29 -14.743 -10.777 3.565 1.00 0.00 C ATOM 467 O THR A 29 -14.604 -10.497 4.739 1.00 0.00 O ATOM 468 CB THR A 29 -16.856 -11.479 2.346 1.00 0.00 C ATOM 469 OG1 THR A 29 -16.267 -12.696 2.781 1.00 0.00 O ATOM 470 CG2 THR A 29 -17.010 -11.489 0.820 1.00 0.00 C ATOM 0 H THR A 29 -14.522 -9.473 1.496 1.00 0.00 H new ATOM 0 HA THR A 29 -16.615 -9.686 3.457 1.00 0.00 H new ATOM 0 HB THR A 29 -17.847 -11.374 2.788 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.822 -13.450 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.628 -12.336 0.522 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.484 -10.563 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.028 -11.575 0.356 1.00 0.00 H new ATOM 478 N PRO A 30 -13.854 -11.464 2.879 1.00 0.00 N ATOM 479 CA PRO A 30 -12.604 -11.955 3.485 1.00 0.00 C ATOM 480 C PRO A 30 -11.527 -10.865 3.409 1.00 0.00 C ATOM 481 O PRO A 30 -11.168 -10.423 2.335 1.00 0.00 O ATOM 482 CB PRO A 30 -12.206 -13.121 2.581 1.00 0.00 C ATOM 483 CG PRO A 30 -12.882 -12.860 1.212 1.00 0.00 C ATOM 484 CD PRO A 30 -14.009 -11.839 1.457 1.00 0.00 C ATOM 0 HA PRO A 30 -12.718 -12.234 4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.123 -13.179 2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.536 -14.070 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.160 -12.473 0.492 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.282 -13.785 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.911 -10.972 0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.990 -12.274 1.264 1.00 0.00 H new ATOM 492 N LYS A 31 -10.992 -10.434 4.520 1.00 0.00 N ATOM 493 CA LYS A 31 -9.929 -9.387 4.460 1.00 0.00 C ATOM 494 C LYS A 31 -8.916 -9.794 3.387 1.00 0.00 C ATOM 495 O LYS A 31 -8.340 -10.863 3.450 1.00 0.00 O ATOM 496 CB LYS A 31 -9.225 -9.287 5.816 1.00 0.00 C ATOM 497 CG LYS A 31 -10.060 -8.428 6.767 1.00 0.00 C ATOM 498 CD LYS A 31 -9.491 -8.534 8.183 1.00 0.00 C ATOM 499 CE LYS A 31 -9.145 -7.137 8.701 1.00 0.00 C ATOM 500 NZ LYS A 31 -7.907 -7.206 9.527 1.00 0.00 N ATOM 0 H LYS A 31 -11.240 -10.756 5.455 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.369 -8.419 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.084 -10.282 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.234 -8.850 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.052 -7.389 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.099 -8.758 6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.217 -9.009 8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.601 -9.164 8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.999 -6.453 7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.970 -6.743 9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.671 -6.256 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.062 -7.845 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.122 -7.564 8.947 1.00 0.00 H new ATOM 514 N VAL A 32 -8.701 -8.976 2.390 1.00 0.00 N ATOM 515 CA VAL A 32 -7.733 -9.377 1.325 1.00 0.00 C ATOM 516 C VAL A 32 -6.918 -8.169 0.833 1.00 0.00 C ATOM 517 O VAL A 32 -7.413 -7.361 0.073 1.00 0.00 O ATOM 518 CB VAL A 32 -8.513 -9.975 0.147 1.00 0.00 C ATOM 519 CG1 VAL A 32 -7.570 -10.235 -1.033 1.00 0.00 C ATOM 520 CG2 VAL A 32 -9.151 -11.297 0.577 1.00 0.00 C ATOM 0 H VAL A 32 -9.143 -8.065 2.267 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.041 -10.110 1.739 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.286 -9.270 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.135 -10.659 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.113 -9.297 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.791 -10.934 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.705 -11.722 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.372 -11.993 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.831 -11.119 1.410 1.00 0.00 H new ATOM 530 N PRO A 33 -5.672 -8.110 1.248 1.00 0.00 N ATOM 531 CA PRO A 33 -4.741 -7.045 0.828 1.00 0.00 C ATOM 532 C PRO A 33 -4.218 -7.385 -0.568 1.00 0.00 C ATOM 533 O PRO A 33 -3.485 -8.336 -0.751 1.00 0.00 O ATOM 534 CB PRO A 33 -3.617 -7.118 1.865 1.00 0.00 C ATOM 535 CG PRO A 33 -3.665 -8.546 2.459 1.00 0.00 C ATOM 536 CD PRO A 33 -5.079 -9.094 2.178 1.00 0.00 C ATOM 0 HA PRO A 33 -5.187 -6.052 0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.649 -6.921 1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.757 -6.368 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.906 -9.181 2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.463 -8.527 3.530 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.039 -10.088 1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.663 -9.178 3.095 1.00 0.00 H new ATOM 544 N VAL A 34 -4.617 -6.641 -1.557 1.00 0.00 N ATOM 545 CA VAL A 34 -4.173 -6.950 -2.940 1.00 0.00 C ATOM 546 C VAL A 34 -2.993 -6.065 -3.348 1.00 0.00 C ATOM 547 O VAL A 34 -2.389 -6.284 -4.380 1.00 0.00 O ATOM 548 CB VAL A 34 -5.338 -6.715 -3.902 1.00 0.00 C ATOM 549 CG1 VAL A 34 -5.565 -5.212 -4.075 1.00 0.00 C ATOM 550 CG2 VAL A 34 -5.012 -7.340 -5.259 1.00 0.00 C ATOM 0 H VAL A 34 -5.232 -5.832 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.852 -7.991 -2.979 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.240 -7.173 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.396 -5.046 -4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.798 -4.766 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.663 -4.752 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.842 -7.173 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.109 -6.882 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.852 -8.411 -5.137 1.00 0.00 H new ATOM 560 N LYS A 35 -2.637 -5.072 -2.574 1.00 0.00 N ATOM 561 CA LYS A 35 -1.477 -4.233 -3.000 1.00 0.00 C ATOM 562 C LYS A 35 -0.857 -3.473 -1.825 1.00 0.00 C ATOM 563 O LYS A 35 -1.488 -3.210 -0.824 1.00 0.00 O ATOM 564 CB LYS A 35 -1.934 -3.232 -4.061 1.00 0.00 C ATOM 565 CG LYS A 35 -1.139 -3.466 -5.348 1.00 0.00 C ATOM 566 CD LYS A 35 -1.520 -2.410 -6.385 1.00 0.00 C ATOM 567 CE LYS A 35 -2.602 -2.973 -7.308 1.00 0.00 C ATOM 568 NZ LYS A 35 -2.438 -2.398 -8.673 1.00 0.00 N ATOM 0 H LYS A 35 -3.082 -4.811 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.718 -4.901 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.001 -3.348 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.783 -2.213 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.070 -3.418 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.344 -4.463 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.882 -1.510 -5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.644 -2.122 -6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.531 -4.060 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.590 -2.732 -6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.173 -2.780 -9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.526 -1.363 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.500 -2.649 -9.045 1.00 0.00 H new ATOM 582 N ARG A 36 0.392 -3.117 -1.963 1.00 0.00 N ATOM 583 CA ARG A 36 1.099 -2.354 -0.898 1.00 0.00 C ATOM 584 C ARG A 36 2.359 -1.738 -1.513 1.00 0.00 C ATOM 585 O ARG A 36 3.384 -2.383 -1.610 1.00 0.00 O ATOM 586 CB ARG A 36 1.486 -3.268 0.278 1.00 0.00 C ATOM 587 CG ARG A 36 1.455 -4.748 -0.132 1.00 0.00 C ATOM 588 CD ARG A 36 1.071 -5.595 1.082 1.00 0.00 C ATOM 589 NE ARG A 36 1.756 -6.915 1.005 1.00 0.00 N ATOM 590 CZ ARG A 36 1.058 -8.016 1.061 1.00 0.00 C ATOM 591 NH1 ARG A 36 0.022 -8.094 1.852 1.00 0.00 N ATOM 592 NH2 ARG A 36 1.397 -9.040 0.327 1.00 0.00 N ATOM 0 H ARG A 36 0.960 -3.327 -2.784 1.00 0.00 H new ATOM 0 HA ARG A 36 0.439 -1.578 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.484 -3.007 0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.801 -3.104 1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.738 -4.900 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.430 -5.054 -0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.352 -5.081 2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.009 -5.736 1.113 1.00 0.00 H new ATOM 0 HE ARG A 36 2.770 -6.958 0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.242 -7.294 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.523 -8.955 1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.207 -8.979 -0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.852 -9.901 0.370 1.00 0.00 H new ATOM 606 N GLY A 37 2.297 -0.507 -1.951 1.00 0.00 N ATOM 607 CA GLY A 37 3.506 0.109 -2.575 1.00 0.00 C ATOM 608 C GLY A 37 3.595 1.590 -2.210 1.00 0.00 C ATOM 609 O GLY A 37 3.068 2.021 -1.209 1.00 0.00 O ATOM 0 H GLY A 37 1.473 0.092 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.403 -0.410 -2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.462 -0.004 -3.658 1.00 0.00 H new ATOM 613 N CYS A 38 4.272 2.371 -3.008 1.00 0.00 N ATOM 614 CA CYS A 38 4.406 3.820 -2.686 1.00 0.00 C ATOM 615 C CYS A 38 3.606 4.671 -3.674 1.00 0.00 C ATOM 616 O CYS A 38 3.655 4.469 -4.871 1.00 0.00 O ATOM 617 CB CYS A 38 5.878 4.218 -2.749 1.00 0.00 C ATOM 618 SG CYS A 38 6.637 3.981 -1.124 1.00 0.00 S ATOM 0 H CYS A 38 4.736 2.070 -3.865 1.00 0.00 H new ATOM 0 HA CYS A 38 4.015 3.992 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.397 3.617 -3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.971 5.259 -3.057 1.00 0.00 H new ATOM 623 N ILE A 39 2.874 5.630 -3.174 1.00 0.00 N ATOM 624 CA ILE A 39 2.072 6.509 -4.063 1.00 0.00 C ATOM 625 C ILE A 39 2.163 7.954 -3.556 1.00 0.00 C ATOM 626 O ILE A 39 2.617 8.211 -2.449 1.00 0.00 O ATOM 627 CB ILE A 39 0.614 6.033 -4.045 1.00 0.00 C ATOM 628 CG1 ILE A 39 -0.120 6.561 -5.279 1.00 0.00 C ATOM 629 CG2 ILE A 39 -0.090 6.540 -2.783 1.00 0.00 C ATOM 630 CD1 ILE A 39 -1.559 6.050 -5.264 1.00 0.00 C ATOM 0 H ILE A 39 2.799 5.841 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 39 2.453 6.466 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 39 0.602 4.943 -4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.109 7.651 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.386 6.232 -6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.124 6.196 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.422 6.155 -1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.070 7.630 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.087 6.423 -6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.558 4.960 -5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.060 6.401 -4.362 1.00 0.00 H new ATOM 642 N ASP A 40 1.738 8.897 -4.355 1.00 0.00 N ATOM 643 CA ASP A 40 1.789 10.322 -3.929 1.00 0.00 C ATOM 644 C ASP A 40 0.397 10.751 -3.455 1.00 0.00 C ATOM 645 O ASP A 40 0.214 11.829 -2.923 1.00 0.00 O ATOM 646 CB ASP A 40 2.219 11.193 -5.112 1.00 0.00 C ATOM 647 CG ASP A 40 3.509 11.939 -4.763 1.00 0.00 C ATOM 648 OD1 ASP A 40 4.307 11.388 -4.024 1.00 0.00 O ATOM 649 OD2 ASP A 40 3.678 13.047 -5.245 1.00 0.00 O ATOM 0 H ASP A 40 1.357 8.738 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 40 2.506 10.440 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.374 10.573 -5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.431 11.905 -5.357 1.00 0.00 H new ATOM 654 N VAL A 41 -0.586 9.910 -3.645 1.00 0.00 N ATOM 655 CA VAL A 41 -1.969 10.254 -3.209 1.00 0.00 C ATOM 656 C VAL A 41 -2.776 8.962 -3.044 1.00 0.00 C ATOM 657 O VAL A 41 -2.677 8.052 -3.843 1.00 0.00 O ATOM 658 CB VAL A 41 -2.631 11.141 -4.265 1.00 0.00 C ATOM 659 CG1 VAL A 41 -4.088 11.397 -3.877 1.00 0.00 C ATOM 660 CG2 VAL A 41 -1.886 12.474 -4.347 1.00 0.00 C ATOM 0 H VAL A 41 -0.488 8.995 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.935 10.790 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.595 10.642 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.559 12.029 -4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.620 10.448 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.124 11.897 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.356 13.108 -5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.923 12.972 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.847 12.294 -4.623 1.00 0.00 H new ATOM 670 N CYS A 42 -3.566 8.868 -2.010 1.00 0.00 N ATOM 671 CA CYS A 42 -4.366 7.628 -1.795 1.00 0.00 C ATOM 672 C CYS A 42 -5.698 7.726 -2.546 1.00 0.00 C ATOM 673 O CYS A 42 -6.253 8.797 -2.686 1.00 0.00 O ATOM 674 CB CYS A 42 -4.646 7.449 -0.301 1.00 0.00 C ATOM 675 SG CYS A 42 -3.207 7.983 0.658 1.00 0.00 S ATOM 0 H CYS A 42 -3.692 9.595 -1.305 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.801 6.775 -2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.523 8.030 -0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.871 6.404 -0.086 1.00 0.00 H new ATOM 680 N PRO A 43 -6.174 6.591 -2.996 1.00 0.00 N ATOM 681 CA PRO A 43 -7.449 6.499 -3.728 1.00 0.00 C ATOM 682 C PRO A 43 -8.624 6.577 -2.745 1.00 0.00 C ATOM 683 O PRO A 43 -8.502 7.125 -1.667 1.00 0.00 O ATOM 684 CB PRO A 43 -7.374 5.125 -4.405 1.00 0.00 C ATOM 685 CG PRO A 43 -6.355 4.292 -3.593 1.00 0.00 C ATOM 686 CD PRO A 43 -5.482 5.297 -2.819 1.00 0.00 C ATOM 0 HA PRO A 43 -7.602 7.305 -4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.351 4.642 -4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.057 5.221 -5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.866 3.615 -2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.744 3.676 -4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.404 5.028 -1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.467 5.331 -3.215 1.00 0.00 H new ATOM 694 N LYS A 44 -9.760 6.039 -3.100 1.00 0.00 N ATOM 695 CA LYS A 44 -10.926 6.098 -2.172 1.00 0.00 C ATOM 696 C LYS A 44 -11.379 4.678 -1.813 1.00 0.00 C ATOM 697 O LYS A 44 -10.741 3.704 -2.161 1.00 0.00 O ATOM 698 CB LYS A 44 -12.073 6.893 -2.827 1.00 0.00 C ATOM 699 CG LYS A 44 -12.970 5.991 -3.694 1.00 0.00 C ATOM 700 CD LYS A 44 -12.373 5.852 -5.098 1.00 0.00 C ATOM 701 CE LYS A 44 -12.524 7.174 -5.851 1.00 0.00 C ATOM 702 NZ LYS A 44 -11.548 7.219 -6.978 1.00 0.00 N ATOM 0 H LYS A 44 -9.931 5.564 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.635 6.607 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.675 7.368 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.657 7.691 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.067 5.008 -3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.973 6.414 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.320 5.578 -5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.877 5.053 -5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.540 7.274 -6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.354 8.012 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.651 8.118 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.581 7.142 -6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.731 6.428 -7.628 1.00 0.00 H new ATOM 716 N SER A 45 -12.479 4.557 -1.117 1.00 0.00 N ATOM 717 CA SER A 45 -12.977 3.205 -0.731 1.00 0.00 C ATOM 718 C SER A 45 -14.502 3.164 -0.878 1.00 0.00 C ATOM 719 O SER A 45 -15.190 4.105 -0.537 1.00 0.00 O ATOM 720 CB SER A 45 -12.601 2.924 0.725 1.00 0.00 C ATOM 721 OG SER A 45 -13.566 2.053 1.298 1.00 0.00 O ATOM 0 H SER A 45 -13.054 5.337 -0.799 1.00 0.00 H new ATOM 0 HA SER A 45 -12.527 2.451 -1.377 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.610 2.472 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.556 3.856 1.288 1.00 0.00 H new ATOM 0 HG SER A 45 -13.435 1.146 0.951 1.00 0.00 H new ATOM 727 N SER A 46 -15.041 2.083 -1.382 1.00 0.00 N ATOM 728 CA SER A 46 -16.523 2.004 -1.540 1.00 0.00 C ATOM 729 C SER A 46 -16.927 0.629 -2.080 1.00 0.00 C ATOM 730 O SER A 46 -17.324 -0.246 -1.336 1.00 0.00 O ATOM 731 CB SER A 46 -16.989 3.085 -2.516 1.00 0.00 C ATOM 732 OG SER A 46 -15.887 3.511 -3.305 1.00 0.00 O ATOM 0 H SER A 46 -14.524 1.259 -1.688 1.00 0.00 H new ATOM 0 HA SER A 46 -16.990 2.156 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.781 2.696 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.407 3.930 -1.969 1.00 0.00 H new ATOM 0 HG SER A 46 -16.182 4.203 -3.933 1.00 0.00 H new ATOM 738 N LEU A 47 -16.844 0.444 -3.370 1.00 0.00 N ATOM 739 CA LEU A 47 -17.236 -0.863 -3.979 1.00 0.00 C ATOM 740 C LEU A 47 -16.799 -2.021 -3.081 1.00 0.00 C ATOM 741 O LEU A 47 -17.610 -2.786 -2.598 1.00 0.00 O ATOM 742 CB LEU A 47 -16.566 -1.007 -5.347 1.00 0.00 C ATOM 743 CG LEU A 47 -17.416 -0.311 -6.410 1.00 0.00 C ATOM 744 CD1 LEU A 47 -18.805 -0.949 -6.451 1.00 0.00 C ATOM 745 CD2 LEU A 47 -17.546 1.174 -6.066 1.00 0.00 C ATOM 0 H LEU A 47 -16.519 1.147 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 47 -18.320 -0.889 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.568 -0.570 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.447 -2.062 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.939 -0.418 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -19.411 -0.453 -7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -18.712 -2.007 -6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.283 -0.843 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -18.152 1.671 -6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -18.023 1.281 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.556 1.629 -6.037 1.00 0.00 H new ATOM 757 N LEU A 48 -15.527 -2.158 -2.860 1.00 0.00 N ATOM 758 CA LEU A 48 -15.039 -3.270 -1.998 1.00 0.00 C ATOM 759 C LEU A 48 -13.512 -3.230 -1.933 1.00 0.00 C ATOM 760 O LEU A 48 -12.842 -4.205 -2.213 1.00 0.00 O ATOM 761 CB LEU A 48 -15.494 -4.609 -2.585 1.00 0.00 C ATOM 762 CG LEU A 48 -15.189 -4.642 -4.084 1.00 0.00 C ATOM 763 CD1 LEU A 48 -13.945 -5.495 -4.334 1.00 0.00 C ATOM 764 CD2 LEU A 48 -16.381 -5.247 -4.830 1.00 0.00 C ATOM 0 H LEU A 48 -14.801 -1.549 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.447 -3.159 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.984 -5.430 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.562 -4.747 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.010 -3.628 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.728 -5.518 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.097 -5.066 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.122 -6.510 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.167 -5.272 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.558 -6.261 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.268 -4.639 -4.652 1.00 0.00 H new ATOM 776 N VAL A 49 -12.959 -2.109 -1.566 1.00 0.00 N ATOM 777 CA VAL A 49 -11.478 -2.000 -1.479 1.00 0.00 C ATOM 778 C VAL A 49 -11.114 -0.806 -0.597 1.00 0.00 C ATOM 779 O VAL A 49 -11.598 0.292 -0.792 1.00 0.00 O ATOM 780 CB VAL A 49 -10.895 -1.802 -2.879 1.00 0.00 C ATOM 781 CG1 VAL A 49 -11.675 -0.707 -3.609 1.00 0.00 C ATOM 782 CG2 VAL A 49 -9.425 -1.391 -2.764 1.00 0.00 C ATOM 0 H VAL A 49 -13.471 -1.261 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.068 -2.913 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.971 -2.734 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.258 -0.567 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.722 -0.999 -3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.601 0.226 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.008 -1.249 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.351 -0.459 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.868 -2.172 -2.245 1.00 0.00 H new ATOM 792 N LYS A 50 -10.270 -1.010 0.375 1.00 0.00 N ATOM 793 CA LYS A 50 -9.883 0.113 1.272 1.00 0.00 C ATOM 794 C LYS A 50 -8.494 0.623 0.886 1.00 0.00 C ATOM 795 O LYS A 50 -7.855 0.101 -0.008 1.00 0.00 O ATOM 796 CB LYS A 50 -9.858 -0.382 2.720 1.00 0.00 C ATOM 797 CG LYS A 50 -10.378 0.716 3.649 1.00 0.00 C ATOM 798 CD LYS A 50 -11.374 0.113 4.641 1.00 0.00 C ATOM 799 CE LYS A 50 -12.737 0.784 4.469 1.00 0.00 C ATOM 800 NZ LYS A 50 -13.225 1.263 5.793 1.00 0.00 N ATOM 0 H LYS A 50 -9.831 -1.906 0.587 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.606 0.923 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.472 -1.277 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.842 -0.660 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.548 1.177 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.858 1.503 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.462 -0.961 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.016 0.250 5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.658 1.620 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.450 0.080 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.152 1.720 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.316 0.456 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.548 1.948 6.185 1.00 0.00 H new ATOM 814 N TYR A 51 -8.021 1.638 1.554 1.00 0.00 N ATOM 815 CA TYR A 51 -6.673 2.181 1.228 1.00 0.00 C ATOM 816 C TYR A 51 -5.978 2.637 2.513 1.00 0.00 C ATOM 817 O TYR A 51 -6.538 3.365 3.308 1.00 0.00 O ATOM 818 CB TYR A 51 -6.815 3.373 0.279 1.00 0.00 C ATOM 819 CG TYR A 51 -7.499 4.510 0.999 1.00 0.00 C ATOM 820 CD1 TYR A 51 -8.895 4.536 1.094 1.00 0.00 C ATOM 821 CD2 TYR A 51 -6.738 5.535 1.574 1.00 0.00 C ATOM 822 CE1 TYR A 51 -9.531 5.588 1.764 1.00 0.00 C ATOM 823 CE2 TYR A 51 -7.375 6.587 2.244 1.00 0.00 C ATOM 824 CZ TYR A 51 -8.772 6.613 2.339 1.00 0.00 C ATOM 825 OH TYR A 51 -9.400 7.648 3.000 1.00 0.00 O ATOM 0 H TYR A 51 -8.510 2.115 2.312 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.079 1.403 0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.833 3.690 -0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.392 3.085 -0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.481 3.745 0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.661 5.514 1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.608 5.608 1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.789 7.378 2.687 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.728 8.274 3.341 1.00 0.00 H new ATOM 835 N VAL A 52 -4.760 2.216 2.720 1.00 0.00 N ATOM 836 CA VAL A 52 -4.027 2.628 3.952 1.00 0.00 C ATOM 837 C VAL A 52 -2.673 3.218 3.557 1.00 0.00 C ATOM 838 O VAL A 52 -1.787 2.517 3.108 1.00 0.00 O ATOM 839 CB VAL A 52 -3.808 1.412 4.856 1.00 0.00 C ATOM 840 CG1 VAL A 52 -3.740 1.866 6.315 1.00 0.00 C ATOM 841 CG2 VAL A 52 -4.968 0.429 4.683 1.00 0.00 C ATOM 0 H VAL A 52 -4.241 1.605 2.090 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.612 3.374 4.490 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.873 0.922 4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.584 1.000 6.959 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.913 2.565 6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.674 2.357 6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.811 -0.436 5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.903 0.918 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.017 0.104 3.644 1.00 0.00 H new ATOM 851 N CYS A 53 -2.503 4.501 3.720 1.00 0.00 N ATOM 852 CA CYS A 53 -1.202 5.130 3.349 1.00 0.00 C ATOM 853 C CYS A 53 -0.424 5.478 4.618 1.00 0.00 C ATOM 854 O CYS A 53 -0.995 5.759 5.654 1.00 0.00 O ATOM 855 CB CYS A 53 -1.415 6.417 2.527 1.00 0.00 C ATOM 856 SG CYS A 53 -3.180 6.734 2.245 1.00 0.00 S ATOM 0 H CYS A 53 -3.205 5.140 4.093 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.644 4.417 2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.970 7.263 3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.902 6.329 1.570 1.00 0.00 H new ATOM 861 N CYS A 54 0.878 5.464 4.542 1.00 0.00 N ATOM 862 CA CYS A 54 1.704 5.799 5.736 1.00 0.00 C ATOM 863 C CYS A 54 2.910 6.628 5.287 1.00 0.00 C ATOM 864 O CYS A 54 3.337 6.551 4.153 1.00 0.00 O ATOM 865 CB CYS A 54 2.182 4.506 6.404 1.00 0.00 C ATOM 866 SG CYS A 54 3.456 4.892 7.629 1.00 0.00 S ATOM 0 H CYS A 54 1.407 5.234 3.701 1.00 0.00 H new ATOM 0 HA CYS A 54 1.112 6.371 6.450 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.343 4.001 6.883 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.580 3.822 5.654 1.00 0.00 H new ATOM 871 N ASN A 55 3.463 7.426 6.161 1.00 0.00 N ATOM 872 CA ASN A 55 4.638 8.256 5.762 1.00 0.00 C ATOM 873 C ASN A 55 5.595 8.419 6.947 1.00 0.00 C ATOM 874 O ASN A 55 6.517 9.209 6.905 1.00 0.00 O ATOM 875 CB ASN A 55 4.155 9.635 5.306 1.00 0.00 C ATOM 876 CG ASN A 55 5.332 10.430 4.738 1.00 0.00 C ATOM 877 OD1 ASN A 55 6.243 9.865 4.165 1.00 0.00 O ATOM 878 ND2 ASN A 55 5.353 11.728 4.873 1.00 0.00 N ATOM 0 H ASN A 55 3.155 7.539 7.127 1.00 0.00 H new ATOM 0 HA ASN A 55 5.163 7.760 4.946 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.377 9.527 4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.712 10.172 6.145 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.133 12.267 4.498 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.589 12.203 5.354 1.00 0.00 H new ATOM 885 N THR A 56 5.389 7.679 8.001 1.00 0.00 N ATOM 886 CA THR A 56 6.291 7.797 9.180 1.00 0.00 C ATOM 887 C THR A 56 7.585 7.020 8.918 1.00 0.00 C ATOM 888 O THR A 56 8.553 7.155 9.639 1.00 0.00 O ATOM 889 CB THR A 56 5.590 7.226 10.416 1.00 0.00 C ATOM 890 OG1 THR A 56 4.220 6.999 10.119 1.00 0.00 O ATOM 891 CG2 THR A 56 5.705 8.220 11.572 1.00 0.00 C ATOM 0 H THR A 56 4.635 6.998 8.097 1.00 0.00 H new ATOM 0 HA THR A 56 6.530 8.847 9.350 1.00 0.00 H new ATOM 0 HB THR A 56 6.061 6.285 10.700 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.110 6.097 9.753 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.206 7.814 12.452 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.757 8.394 11.799 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.234 9.162 11.290 1.00 0.00 H new ATOM 899 N ASP A 57 7.607 6.210 7.890 1.00 0.00 N ATOM 900 CA ASP A 57 8.836 5.422 7.573 1.00 0.00 C ATOM 901 C ASP A 57 8.904 4.183 8.471 1.00 0.00 C ATOM 902 O ASP A 57 8.990 4.282 9.678 1.00 0.00 O ATOM 903 CB ASP A 57 10.080 6.285 7.803 1.00 0.00 C ATOM 904 CG ASP A 57 11.197 5.834 6.859 1.00 0.00 C ATOM 905 OD1 ASP A 57 10.905 5.597 5.698 1.00 0.00 O ATOM 906 OD2 ASP A 57 12.325 5.734 7.312 1.00 0.00 O ATOM 0 H ASP A 57 6.823 6.060 7.254 1.00 0.00 H new ATOM 0 HA ASP A 57 8.799 5.111 6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.844 7.335 7.629 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.408 6.199 8.839 1.00 0.00 H new ATOM 911 N ARG A 58 8.871 3.016 7.886 1.00 0.00 N ATOM 912 CA ARG A 58 8.940 1.767 8.698 1.00 0.00 C ATOM 913 C ARG A 58 7.611 1.543 9.419 1.00 0.00 C ATOM 914 O ARG A 58 7.516 0.748 10.333 1.00 0.00 O ATOM 915 CB ARG A 58 10.068 1.885 9.726 1.00 0.00 C ATOM 916 CG ARG A 58 11.105 0.789 9.470 1.00 0.00 C ATOM 917 CD ARG A 58 11.544 0.180 10.802 1.00 0.00 C ATOM 918 NE ARG A 58 10.536 -0.822 11.244 1.00 0.00 N ATOM 919 CZ ARG A 58 10.837 -1.680 12.178 1.00 0.00 C ATOM 920 NH1 ARG A 58 12.022 -2.225 12.207 1.00 0.00 N ATOM 921 NH2 ARG A 58 9.953 -1.995 13.084 1.00 0.00 N ATOM 0 H ARG A 58 8.799 2.874 6.879 1.00 0.00 H new ATOM 0 HA ARG A 58 9.137 0.922 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.536 2.867 9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.667 1.793 10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.682 0.017 8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.966 1.204 8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.520 -0.293 10.694 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.650 0.962 11.554 1.00 0.00 H new ATOM 0 HE ARG A 58 9.610 -0.837 10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.714 -1.980 11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.257 -2.896 12.938 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.026 -1.570 13.062 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.189 -2.666 13.815 1.00 0.00 H new ATOM 935 N CYS A 59 6.580 2.230 9.013 1.00 0.00 N ATOM 936 CA CYS A 59 5.260 2.043 9.674 1.00 0.00 C ATOM 937 C CYS A 59 4.355 1.213 8.751 1.00 0.00 C ATOM 938 O CYS A 59 3.253 0.849 9.111 1.00 0.00 O ATOM 939 CB CYS A 59 4.656 3.434 9.991 1.00 0.00 C ATOM 940 SG CYS A 59 3.041 3.683 9.191 1.00 0.00 S ATOM 0 H CYS A 59 6.595 2.911 8.254 1.00 0.00 H new ATOM 0 HA CYS A 59 5.363 1.502 10.615 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.545 3.542 11.070 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.346 4.211 9.662 1.00 0.00 H new ATOM 945 N ASN A 60 4.813 0.913 7.564 1.00 0.00 N ATOM 946 CA ASN A 60 3.979 0.110 6.626 1.00 0.00 C ATOM 947 C ASN A 60 4.868 -0.886 5.877 1.00 0.00 C ATOM 948 O ASN A 60 5.964 -1.143 6.346 1.00 0.00 O ATOM 949 CB ASN A 60 3.300 1.042 5.621 1.00 0.00 C ATOM 950 CG ASN A 60 1.983 0.418 5.157 1.00 0.00 C ATOM 951 OD1 ASN A 60 1.698 0.378 3.977 1.00 0.00 O ATOM 952 ND2 ASN A 60 1.163 -0.076 6.044 1.00 0.00 N ATOM 953 OXT ASN A 60 4.436 -1.376 4.846 1.00 0.00 O ATOM 0 H ASN A 60 5.727 1.189 7.205 1.00 0.00 H new ATOM 0 HA ASN A 60 3.220 -0.432 7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.113 2.014 6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.955 1.212 4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.282 -0.496 5.746 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.403 -0.042 7.035 1.00 0.00 H new