USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 368 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 1 PCA H1 : B 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: B 1 PCA H3 : B 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: B 33 HIS : no HD1:sc= -0.926 X(o=-0.2,f=-0.18) USER MOD Set 1.2: B 35 SER OG : rot -13:sc= 0.726 USER MOD Set 2.1: B 8 SER OG : rot 51:sc= 1.5 USER MOD Set 2.2: B 10 THR OG1 : rot -80:sc= 1.7 USER MOD Set 2.3: B 24 GLN : amide:sc= -0.408 K(o=2.8,f=2) USER MOD Single : B 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0215) USER MOD Single : B 12 SER OG : rot 40:sc= 0.0143 USER MOD Single : B 17 ASN : amide:sc= -0.557 K(o=-0.56,f=-4.7!) USER MOD Single : B 18 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.9!) USER MOD Single : B 23 ASN : amide:sc= 0.00176 X(o=0.0018,f=-0.38) USER MOD Single : B 30 LYS NZ :NH3+ 169:sc= -0.0123 (180deg=-0.121) USER MOD Single : B 37 ASN : amide:sc= -2.98 K(o=-3,f=-10!) USER MOD Single : B 38 TYR OH : rot 180:sc= -0.505 USER MOD Single : B 43 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.012) USER MOD Single : B 44 LYS NZ :NH3+ -167:sc= -0.0248 (180deg=-0.166) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA B 1 2.053 -18.519 -2.664 1.00 0.00 N HETATM 2 CA PCA B 1 3.246 -17.980 -1.986 1.00 0.00 C HETATM 3 CB PCA B 1 4.374 -19.013 -2.074 1.00 0.00 C HETATM 4 CG PCA B 1 3.798 -20.127 -2.893 1.00 0.00 C HETATM 5 CD PCA B 1 2.364 -19.707 -3.136 1.00 0.00 C HETATM 6 OE PCA B 1 1.661 -20.302 -3.957 1.00 0.00 O HETATM 7 C PCA B 1 3.686 -16.672 -2.629 1.00 0.00 C HETATM 8 O PCA B 1 4.639 -16.641 -3.409 1.00 0.00 O HETATM 0 H2 PCA B 1 1.769 -19.411 -2.211 1.00 0.00 H new HETATM 0 HA PCA B 1 3.006 -17.779 -0.942 1.00 0.00 H new HETATM 0 HB2 PCA B 1 5.262 -18.592 -2.545 1.00 0.00 H new HETATM 0 HB3 PCA B 1 4.672 -19.360 -1.085 1.00 0.00 H new HETATM 0 HG2 PCA B 1 4.340 -20.254 -3.830 1.00 0.00 H new HETATM 0 HG3 PCA B 1 3.850 -21.078 -2.364 1.00 0.00 H new ATOM 13 N ARG B 2 2.988 -15.593 -2.310 1.00 0.00 N ATOM 14 CA ARG B 2 3.334 -14.286 -2.844 1.00 0.00 C ATOM 15 C ARG B 2 3.627 -13.316 -1.709 1.00 0.00 C ATOM 16 O ARG B 2 3.766 -13.721 -0.554 1.00 0.00 O ATOM 17 CB ARG B 2 2.204 -13.736 -3.723 1.00 0.00 C ATOM 18 CG ARG B 2 0.958 -13.341 -2.943 1.00 0.00 C ATOM 19 CD ARG B 2 -0.039 -12.604 -3.818 1.00 0.00 C ATOM 20 NE ARG B 2 -1.199 -12.143 -3.057 1.00 0.00 N ATOM 21 CZ ARG B 2 -2.285 -11.604 -3.608 1.00 0.00 C ATOM 22 NH1 ARG B 2 -2.367 -11.459 -4.926 1.00 0.00 N ATOM 23 NH2 ARG B 2 -3.288 -11.197 -2.839 1.00 0.00 N ATOM 0 H ARG B 2 2.181 -15.597 -1.686 1.00 0.00 H new ATOM 0 HA ARG B 2 4.226 -14.397 -3.460 1.00 0.00 H new ATOM 0 HB2 ARG B 2 2.571 -12.867 -4.269 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.934 -14.488 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.489 -14.234 -2.529 1.00 0.00 H new ATOM 0 HG3 ARG B 2 1.240 -12.709 -2.101 1.00 0.00 H new ATOM 0 HD2 ARG B 2 0.451 -11.750 -4.285 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -0.371 -13.261 -4.622 1.00 0.00 H new ATOM 0 HE ARG B 2 -1.175 -12.240 -2.042 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -1.596 -11.761 -5.521 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.201 -11.046 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -3.227 -11.297 -1.826 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.120 -10.784 -3.262 1.00 0.00 H new ATOM 37 N LEU B 3 3.720 -12.043 -2.059 1.00 0.00 N ATOM 38 CA LEU B 3 3.922 -10.968 -1.096 1.00 0.00 C ATOM 39 C LEU B 3 2.867 -10.992 0.012 1.00 0.00 C ATOM 40 O LEU B 3 1.741 -11.455 -0.190 1.00 0.00 O ATOM 41 CB LEU B 3 3.854 -9.633 -1.827 1.00 0.00 C ATOM 42 CG LEU B 3 5.014 -9.342 -2.783 1.00 0.00 C ATOM 43 CD1 LEU B 3 4.668 -8.175 -3.686 1.00 0.00 C ATOM 44 CD2 LEU B 3 6.284 -9.039 -2.009 1.00 0.00 C ATOM 0 H LEU B 3 3.657 -11.723 -3.025 1.00 0.00 H new ATOM 0 HA LEU B 3 4.898 -11.105 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU B 3 2.923 -9.596 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.809 -8.835 -1.086 1.00 0.00 H new ATOM 0 HG LEU B 3 5.184 -10.228 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.501 -7.978 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU B 3 3.778 -8.416 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.476 -7.290 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.096 -8.835 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU B 3 6.124 -8.168 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU B 3 6.546 -9.896 -1.389 1.00 0.00 H new ATOM 56 N CYS B 4 3.242 -10.490 1.180 1.00 0.00 N ATOM 57 CA CYS B 4 2.337 -10.422 2.316 1.00 0.00 C ATOM 58 C CYS B 4 1.640 -9.071 2.344 1.00 0.00 C ATOM 59 O CYS B 4 2.288 -8.025 2.412 1.00 0.00 O ATOM 60 CB CYS B 4 3.098 -10.656 3.626 1.00 0.00 C ATOM 61 SG CYS B 4 3.660 -12.377 3.888 1.00 0.00 S ATOM 0 H CYS B 4 4.175 -10.121 1.365 1.00 0.00 H new ATOM 0 HA CYS B 4 1.586 -11.205 2.212 1.00 0.00 H new ATOM 0 HB2 CYS B 4 3.966 -9.997 3.648 1.00 0.00 H new ATOM 0 HB3 CYS B 4 2.457 -10.367 4.459 1.00 0.00 H new ATOM 66 N GLU B 5 0.321 -9.096 2.270 1.00 0.00 N ATOM 67 CA GLU B 5 -0.460 -7.878 2.206 1.00 0.00 C ATOM 68 C GLU B 5 -0.666 -7.290 3.595 1.00 0.00 C ATOM 69 O GLU B 5 -0.965 -8.006 4.552 1.00 0.00 O ATOM 70 CB GLU B 5 -1.818 -8.134 1.549 1.00 0.00 C ATOM 71 CG GLU B 5 -1.756 -8.955 0.271 1.00 0.00 C ATOM 72 CD GLU B 5 -1.902 -10.446 0.511 1.00 0.00 C ATOM 73 OE1 GLU B 5 -1.362 -10.960 1.512 1.00 0.00 O ATOM 74 OE2 GLU B 5 -2.557 -11.121 -0.306 1.00 0.00 O ATOM 0 H GLU B 5 -0.232 -9.953 2.253 1.00 0.00 H new ATOM 0 HA GLU B 5 0.096 -7.163 1.600 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -2.462 -8.646 2.264 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -2.287 -7.175 1.327 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -2.544 -8.623 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -0.806 -8.765 -0.229 1.00 0.00 H new ATOM 81 N LYS B 6 -0.508 -5.984 3.687 1.00 0.00 N ATOM 82 CA LYS B 6 -0.666 -5.260 4.934 1.00 0.00 C ATOM 83 C LYS B 6 -1.578 -4.059 4.689 1.00 0.00 C ATOM 84 O LYS B 6 -1.304 -3.249 3.803 1.00 0.00 O ATOM 85 CB LYS B 6 0.706 -4.795 5.428 1.00 0.00 C ATOM 86 CG LYS B 6 0.803 -4.564 6.931 1.00 0.00 C ATOM 87 CD LYS B 6 0.092 -3.295 7.370 1.00 0.00 C ATOM 88 CE LYS B 6 0.403 -2.947 8.819 1.00 0.00 C ATOM 89 NZ LYS B 6 -0.032 -4.009 9.766 1.00 0.00 N ATOM 0 H LYS B 6 -0.265 -5.391 2.893 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.111 -5.903 5.693 1.00 0.00 H new ATOM 0 HB2 LYS B 6 1.450 -5.538 5.141 1.00 0.00 H new ATOM 0 HB3 LYS B 6 0.966 -3.869 4.915 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.373 -5.418 7.455 1.00 0.00 H new ATOM 0 HG3 LYS B 6 1.852 -4.508 7.220 1.00 0.00 H new ATOM 0 HD2 LYS B 6 0.391 -2.469 6.725 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.984 -3.420 7.249 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.475 -2.784 8.928 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -0.090 -2.010 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 0.140 -3.695 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -1.047 -4.196 9.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 0.506 -4.880 9.582 1.00 0.00 H new ATOM 103 N PRO B 7 -2.684 -3.939 5.442 1.00 0.00 N ATOM 104 CA PRO B 7 -3.620 -2.818 5.297 1.00 0.00 C ATOM 105 C PRO B 7 -2.914 -1.470 5.401 1.00 0.00 C ATOM 106 O PRO B 7 -2.190 -1.213 6.369 1.00 0.00 O ATOM 107 CB PRO B 7 -4.609 -3.002 6.459 1.00 0.00 C ATOM 108 CG PRO B 7 -3.988 -4.017 7.360 1.00 0.00 C ATOM 109 CD PRO B 7 -3.119 -4.875 6.488 1.00 0.00 C ATOM 0 HA PRO B 7 -4.104 -2.818 4.320 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -4.775 -2.062 6.984 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -5.580 -3.341 6.097 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -3.400 -3.536 8.142 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -4.752 -4.615 7.857 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -2.274 -5.287 7.039 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -3.670 -5.719 6.072 1.00 0.00 H new ATOM 117 N SER B 8 -3.113 -0.629 4.390 1.00 0.00 N ATOM 118 CA SER B 8 -2.471 0.678 4.334 1.00 0.00 C ATOM 119 C SER B 8 -2.777 1.497 5.578 1.00 0.00 C ATOM 120 O SER B 8 -3.878 1.432 6.130 1.00 0.00 O ATOM 121 CB SER B 8 -2.922 1.447 3.088 1.00 0.00 C ATOM 122 OG SER B 8 -2.353 2.746 3.053 1.00 0.00 O ATOM 0 H SER B 8 -3.718 -0.833 3.594 1.00 0.00 H new ATOM 0 HA SER B 8 -1.395 0.513 4.284 1.00 0.00 H new ATOM 0 HB2 SER B 8 -2.633 0.896 2.193 1.00 0.00 H new ATOM 0 HB3 SER B 8 -4.009 1.523 3.078 1.00 0.00 H new ATOM 0 HG SER B 8 -1.384 2.682 3.183 1.00 0.00 H new ATOM 128 N GLY B 9 -1.792 2.257 6.013 1.00 0.00 N ATOM 129 CA GLY B 9 -1.969 3.127 7.148 1.00 0.00 C ATOM 130 C GLY B 9 -1.855 4.576 6.747 1.00 0.00 C ATOM 131 O GLY B 9 -1.781 5.463 7.596 1.00 0.00 O ATOM 0 H GLY B 9 -0.862 2.287 5.595 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -2.945 2.947 7.599 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -1.221 2.897 7.906 1.00 0.00 H new ATOM 135 N THR B 10 -1.844 4.817 5.443 1.00 0.00 N ATOM 136 CA THR B 10 -1.721 6.167 4.920 1.00 0.00 C ATOM 137 C THR B 10 -2.954 6.527 4.110 1.00 0.00 C ATOM 138 O THR B 10 -3.240 7.699 3.864 1.00 0.00 O ATOM 139 CB THR B 10 -0.459 6.320 4.049 1.00 0.00 C ATOM 140 OG1 THR B 10 -0.365 5.233 3.115 1.00 0.00 O ATOM 141 CG2 THR B 10 0.790 6.367 4.914 1.00 0.00 C ATOM 0 H THR B 10 -1.919 4.093 4.729 1.00 0.00 H new ATOM 0 HA THR B 10 -1.632 6.847 5.767 1.00 0.00 H new ATOM 0 HB THR B 10 -0.537 7.258 3.499 1.00 0.00 H new ATOM 0 HG1 THR B 10 0.005 4.445 3.566 1.00 0.00 H new ATOM 0 HG21 THR B 10 1.669 6.475 4.278 1.00 0.00 H new ATOM 0 HG22 THR B 10 0.729 7.215 5.596 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.869 5.444 5.489 1.00 0.00 H new ATOM 149 N TRP B 11 -3.678 5.499 3.696 1.00 0.00 N ATOM 150 CA TRP B 11 -4.917 5.676 2.971 1.00 0.00 C ATOM 151 C TRP B 11 -6.083 5.532 3.940 1.00 0.00 C ATOM 152 O TRP B 11 -5.897 5.142 5.095 1.00 0.00 O ATOM 153 CB TRP B 11 -5.013 4.630 1.858 1.00 0.00 C ATOM 154 CG TRP B 11 -5.912 5.010 0.714 1.00 0.00 C ATOM 155 CD1 TRP B 11 -7.276 4.959 0.673 1.00 0.00 C ATOM 156 CD2 TRP B 11 -5.496 5.480 -0.573 1.00 0.00 C ATOM 157 NE1 TRP B 11 -7.731 5.403 -0.538 1.00 0.00 N ATOM 158 CE2 TRP B 11 -6.658 5.721 -1.325 1.00 0.00 C ATOM 159 CE3 TRP B 11 -4.254 5.729 -1.159 1.00 0.00 C ATOM 160 CZ2 TRP B 11 -6.612 6.200 -2.629 1.00 0.00 C ATOM 161 CZ3 TRP B 11 -4.209 6.201 -2.456 1.00 0.00 C ATOM 162 CH2 TRP B 11 -5.382 6.434 -3.179 1.00 0.00 C ATOM 0 H TRP B 11 -3.421 4.525 3.854 1.00 0.00 H new ATOM 0 HA TRP B 11 -4.948 6.667 2.519 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -4.013 4.441 1.469 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.370 3.694 2.288 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -7.905 4.617 1.481 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -8.711 5.484 -0.810 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -3.342 5.555 -0.607 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -7.517 6.381 -3.189 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -3.252 6.393 -2.919 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -5.316 6.806 -4.191 1.00 0.00 H new ATOM 173 N SER B 12 -7.272 5.832 3.466 1.00 0.00 N ATOM 174 CA SER B 12 -8.471 5.744 4.284 1.00 0.00 C ATOM 175 C SER B 12 -9.707 5.589 3.406 1.00 0.00 C ATOM 176 O SER B 12 -9.908 6.354 2.463 1.00 0.00 O ATOM 177 CB SER B 12 -8.588 6.988 5.169 1.00 0.00 C ATOM 178 OG SER B 12 -8.390 8.174 4.415 1.00 0.00 O ATOM 0 H SER B 12 -7.439 6.143 2.509 1.00 0.00 H new ATOM 0 HA SER B 12 -8.399 4.864 4.924 1.00 0.00 H new ATOM 0 HB2 SER B 12 -9.571 7.012 5.639 1.00 0.00 H new ATOM 0 HB3 SER B 12 -7.852 6.937 5.972 1.00 0.00 H new ATOM 0 HG SER B 12 -8.823 8.082 3.541 1.00 0.00 H new ATOM 184 N GLY B 13 -10.524 4.591 3.713 1.00 0.00 N ATOM 185 CA GLY B 13 -11.740 4.362 2.958 1.00 0.00 C ATOM 186 C GLY B 13 -11.475 3.766 1.591 1.00 0.00 C ATOM 187 O GLY B 13 -10.516 3.014 1.409 1.00 0.00 O ATOM 0 H GLY B 13 -10.365 3.933 4.476 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -12.392 3.694 3.521 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -12.274 5.305 2.841 1.00 0.00 H new ATOM 191 N VAL B 14 -12.325 4.105 0.632 1.00 0.00 N ATOM 192 CA VAL B 14 -12.213 3.591 -0.715 1.00 0.00 C ATOM 193 C VAL B 14 -11.044 4.251 -1.439 1.00 0.00 C ATOM 194 O VAL B 14 -10.768 5.440 -1.247 1.00 0.00 O ATOM 195 CB VAL B 14 -13.523 3.835 -1.491 1.00 0.00 C ATOM 196 CG1 VAL B 14 -13.441 3.256 -2.887 1.00 0.00 C ATOM 197 CG2 VAL B 14 -14.705 3.245 -0.738 1.00 0.00 C ATOM 0 H VAL B 14 -13.108 4.743 0.771 1.00 0.00 H new ATOM 0 HA VAL B 14 -12.031 2.518 -0.662 1.00 0.00 H new ATOM 0 HB VAL B 14 -13.669 4.912 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -14.377 3.441 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -12.621 3.727 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -13.266 2.182 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -15.621 3.426 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -14.560 2.172 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -14.782 3.714 0.243 1.00 0.00 H new ATOM 207 N CYS B 15 -10.343 3.474 -2.247 1.00 0.00 N ATOM 208 CA CYS B 15 -9.173 3.969 -2.949 1.00 0.00 C ATOM 209 C CYS B 15 -9.529 4.414 -4.364 1.00 0.00 C ATOM 210 O CYS B 15 -10.644 4.175 -4.834 1.00 0.00 O ATOM 211 CB CYS B 15 -8.104 2.883 -3.010 1.00 0.00 C ATOM 212 SG CYS B 15 -8.501 1.558 -4.192 1.00 0.00 S ATOM 0 H CYS B 15 -10.565 2.496 -2.433 1.00 0.00 H new ATOM 0 HA CYS B 15 -8.790 4.830 -2.402 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -7.151 3.334 -3.286 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -7.977 2.451 -2.018 1.00 0.00 H new ATOM 217 N GLY B 16 -8.587 5.061 -5.039 1.00 0.00 N ATOM 218 CA GLY B 16 -8.795 5.434 -6.423 1.00 0.00 C ATOM 219 C GLY B 16 -8.605 4.255 -7.352 1.00 0.00 C ATOM 220 O GLY B 16 -9.544 3.821 -8.025 1.00 0.00 O ATOM 0 H GLY B 16 -7.683 5.334 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -9.801 5.836 -6.545 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -8.100 6.228 -6.695 1.00 0.00 H new ATOM 224 N ASN B 17 -7.390 3.722 -7.370 1.00 0.00 N ATOM 225 CA ASN B 17 -7.062 2.585 -8.217 1.00 0.00 C ATOM 226 C ASN B 17 -5.900 1.800 -7.624 1.00 0.00 C ATOM 227 O ASN B 17 -5.229 2.287 -6.708 1.00 0.00 O ATOM 228 CB ASN B 17 -6.720 3.045 -9.639 1.00 0.00 C ATOM 229 CG ASN B 17 -5.450 3.865 -9.714 1.00 0.00 C ATOM 230 OD1 ASN B 17 -4.351 3.328 -9.858 1.00 0.00 O ATOM 231 ND2 ASN B 17 -5.593 5.176 -9.630 1.00 0.00 N ATOM 0 H ASN B 17 -6.612 4.062 -6.804 1.00 0.00 H new ATOM 0 HA ASN B 17 -7.936 1.935 -8.268 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -6.618 2.170 -10.282 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -7.548 3.634 -10.032 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -4.775 5.783 -9.684 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -6.521 5.581 -9.511 1.00 0.00 H new ATOM 238 N ASN B 18 -5.666 0.601 -8.144 1.00 0.00 N ATOM 239 CA ASN B 18 -4.637 -0.295 -7.613 1.00 0.00 C ATOM 240 C ASN B 18 -3.272 0.381 -7.553 1.00 0.00 C ATOM 241 O ASN B 18 -2.616 0.372 -6.511 1.00 0.00 O ATOM 242 CB ASN B 18 -4.539 -1.569 -8.460 1.00 0.00 C ATOM 243 CG ASN B 18 -5.769 -2.450 -8.347 1.00 0.00 C ATOM 244 OD1 ASN B 18 -6.440 -2.472 -7.316 1.00 0.00 O ATOM 245 ND2 ASN B 18 -6.071 -3.186 -9.403 1.00 0.00 N ATOM 0 H ASN B 18 -6.178 0.221 -8.940 1.00 0.00 H new ATOM 0 HA ASN B 18 -4.935 -0.555 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN B 18 -4.390 -1.294 -9.504 1.00 0.00 H new ATOM 0 HB3 ASN B 18 -3.662 -2.138 -8.152 1.00 0.00 H new ATOM 0 HD21 ASN B 18 -6.885 -3.800 -9.381 1.00 0.00 H new ATOM 0 HD22 ASN B 18 -5.490 -3.140 -10.240 1.00 0.00 H new ATOM 252 N GLY B 19 -2.858 0.983 -8.658 1.00 0.00 N ATOM 253 CA GLY B 19 -1.541 1.584 -8.726 1.00 0.00 C ATOM 254 C GLY B 19 -1.403 2.816 -7.864 1.00 0.00 C ATOM 255 O GLY B 19 -0.347 3.054 -7.289 1.00 0.00 O ATOM 0 H GLY B 19 -3.411 1.066 -9.511 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -0.797 0.849 -8.419 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -1.322 1.846 -9.761 1.00 0.00 H new ATOM 259 N ALA B 20 -2.464 3.601 -7.778 1.00 0.00 N ATOM 260 CA ALA B 20 -2.484 4.774 -6.906 1.00 0.00 C ATOM 261 C ALA B 20 -2.324 4.341 -5.456 1.00 0.00 C ATOM 262 O ALA B 20 -1.697 5.031 -4.650 1.00 0.00 O ATOM 263 CB ALA B 20 -3.779 5.550 -7.091 1.00 0.00 C ATOM 0 H ALA B 20 -3.327 3.451 -8.301 1.00 0.00 H new ATOM 0 HA ALA B 20 -1.654 5.428 -7.172 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.779 6.420 -6.435 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -3.862 5.877 -8.127 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -4.626 4.909 -6.843 1.00 0.00 H new ATOM 269 N CYS B 21 -2.900 3.189 -5.140 1.00 0.00 N ATOM 270 CA CYS B 21 -2.722 2.568 -3.838 1.00 0.00 C ATOM 271 C CYS B 21 -1.290 2.072 -3.694 1.00 0.00 C ATOM 272 O CYS B 21 -0.627 2.333 -2.691 1.00 0.00 O ATOM 273 CB CYS B 21 -3.702 1.404 -3.676 1.00 0.00 C ATOM 274 SG CYS B 21 -3.440 0.392 -2.185 1.00 0.00 S ATOM 0 H CYS B 21 -3.500 2.663 -5.776 1.00 0.00 H new ATOM 0 HA CYS B 21 -2.921 3.305 -3.060 1.00 0.00 H new ATOM 0 HB2 CYS B 21 -4.717 1.801 -3.655 1.00 0.00 H new ATOM 0 HB3 CYS B 21 -3.629 0.761 -4.553 1.00 0.00 H new ATOM 279 N ARG B 22 -0.810 1.390 -4.734 1.00 0.00 N ATOM 280 CA ARG B 22 0.535 0.835 -4.741 1.00 0.00 C ATOM 281 C ARG B 22 1.552 1.937 -4.495 1.00 0.00 C ATOM 282 O ARG B 22 2.346 1.873 -3.561 1.00 0.00 O ATOM 283 CB ARG B 22 0.797 0.175 -6.097 1.00 0.00 C ATOM 284 CG ARG B 22 2.179 -0.439 -6.247 1.00 0.00 C ATOM 285 CD ARG B 22 2.407 -0.914 -7.671 1.00 0.00 C ATOM 286 NE ARG B 22 2.370 0.198 -8.622 1.00 0.00 N ATOM 287 CZ ARG B 22 1.611 0.223 -9.718 1.00 0.00 C ATOM 288 NH1 ARG B 22 0.816 -0.797 -10.005 1.00 0.00 N ATOM 289 NH2 ARG B 22 1.639 1.276 -10.524 1.00 0.00 N ATOM 0 H ARG B 22 -1.341 1.210 -5.586 1.00 0.00 H new ATOM 0 HA ARG B 22 0.627 0.091 -3.949 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.050 -0.602 -6.258 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.658 0.919 -6.881 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.939 0.295 -5.978 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.286 -1.277 -5.558 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.371 -1.418 -7.737 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.645 -1.647 -7.937 1.00 0.00 H new ATOM 0 HE ARG B 22 2.963 1.006 -8.434 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.782 -1.607 -9.386 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.238 -0.772 -10.845 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.242 2.069 -10.306 1.00 0.00 H new ATOM 0 HH22 ARG B 22 1.057 1.293 -11.362 1.00 0.00 H new ATOM 303 N ASN B 23 1.459 2.961 -5.326 1.00 0.00 N ATOM 304 CA ASN B 23 2.370 4.101 -5.330 1.00 0.00 C ATOM 305 C ASN B 23 2.519 4.730 -3.950 1.00 0.00 C ATOM 306 O ASN B 23 3.633 5.008 -3.494 1.00 0.00 O ATOM 307 CB ASN B 23 1.819 5.138 -6.307 1.00 0.00 C ATOM 308 CG ASN B 23 2.615 6.424 -6.359 1.00 0.00 C ATOM 309 OD1 ASN B 23 3.838 6.430 -6.236 1.00 0.00 O ATOM 310 ND2 ASN B 23 1.907 7.529 -6.525 1.00 0.00 N ATOM 0 H ASN B 23 0.730 3.028 -6.036 1.00 0.00 H new ATOM 0 HA ASN B 23 3.359 3.755 -5.630 1.00 0.00 H new ATOM 0 HB2 ASN B 23 1.790 4.701 -7.305 1.00 0.00 H new ATOM 0 HB3 ASN B 23 0.791 5.371 -6.031 1.00 0.00 H new ATOM 0 HD21 ASN B 23 2.375 8.435 -6.555 1.00 0.00 H new ATOM 0 HD22 ASN B 23 0.893 7.475 -6.623 1.00 0.00 H new ATOM 317 N GLN B 24 1.395 4.969 -3.301 1.00 0.00 N ATOM 318 CA GLN B 24 1.396 5.585 -1.979 1.00 0.00 C ATOM 319 C GLN B 24 2.130 4.697 -0.988 1.00 0.00 C ATOM 320 O GLN B 24 3.001 5.160 -0.248 1.00 0.00 O ATOM 321 CB GLN B 24 -0.026 5.835 -1.492 1.00 0.00 C ATOM 322 CG GLN B 24 -0.093 6.834 -0.351 1.00 0.00 C ATOM 323 CD GLN B 24 -1.510 7.143 0.076 1.00 0.00 C ATOM 324 OE1 GLN B 24 -2.152 8.049 -0.460 1.00 0.00 O ATOM 325 NE2 GLN B 24 -2.004 6.403 1.052 1.00 0.00 N ATOM 0 H GLN B 24 0.468 4.748 -3.664 1.00 0.00 H new ATOM 0 HA GLN B 24 1.909 6.544 -2.053 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -0.630 6.199 -2.323 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -0.465 4.891 -1.168 1.00 0.00 H new ATOM 0 HG2 GLN B 24 0.461 6.442 0.502 1.00 0.00 H new ATOM 0 HG3 GLN B 24 0.400 7.758 -0.654 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -1.438 5.663 1.468 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -2.951 6.571 1.390 1.00 0.00 H new ATOM 334 N CYS B 25 1.773 3.422 -0.995 1.00 0.00 N ATOM 335 CA CYS B 25 2.435 2.423 -0.163 1.00 0.00 C ATOM 336 C CYS B 25 3.945 2.418 -0.408 1.00 0.00 C ATOM 337 O CYS B 25 4.720 2.313 0.540 1.00 0.00 O ATOM 338 CB CYS B 25 1.857 1.036 -0.447 1.00 0.00 C ATOM 339 SG CYS B 25 0.089 0.863 -0.041 1.00 0.00 S ATOM 0 H CYS B 25 1.020 3.050 -1.574 1.00 0.00 H new ATOM 0 HA CYS B 25 2.258 2.680 0.881 1.00 0.00 H new ATOM 0 HB2 CYS B 25 2.000 0.805 -1.503 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.422 0.297 0.120 1.00 0.00 H new ATOM 344 N ILE B 26 4.359 2.540 -1.672 1.00 0.00 N ATOM 345 CA ILE B 26 5.780 2.560 -2.021 1.00 0.00 C ATOM 346 C ILE B 26 6.498 3.664 -1.263 1.00 0.00 C ATOM 347 O ILE B 26 7.419 3.422 -0.485 1.00 0.00 O ATOM 348 CB ILE B 26 6.021 2.825 -3.527 1.00 0.00 C ATOM 349 CG1 ILE B 26 5.103 1.992 -4.415 1.00 0.00 C ATOM 350 CG2 ILE B 26 7.474 2.548 -3.879 1.00 0.00 C ATOM 351 CD1 ILE B 26 5.173 0.512 -4.154 1.00 0.00 C ATOM 0 H ILE B 26 3.730 2.626 -2.470 1.00 0.00 H new ATOM 0 HA ILE B 26 6.162 1.574 -1.758 1.00 0.00 H new ATOM 0 HB ILE B 26 5.790 3.874 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE B 26 4.076 2.327 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE B 26 5.357 2.178 -5.458 1.00 0.00 H new ATOM 0 HG21 ILE B 26 7.634 2.737 -4.941 1.00 0.00 H new ATOM 0 HG22 ILE B 26 8.121 3.200 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE B 26 7.710 1.507 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE B 26 4.491 -0.009 -4.826 1.00 0.00 H new ATOM 0 HD12 ILE B 26 6.190 0.160 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE B 26 4.889 0.311 -3.121 1.00 0.00 H new ATOM 363 N ARG B 27 6.048 4.878 -1.499 1.00 0.00 N ATOM 364 CA ARG B 27 6.718 6.067 -0.995 1.00 0.00 C ATOM 365 C ARG B 27 6.523 6.235 0.503 1.00 0.00 C ATOM 366 O ARG B 27 7.487 6.311 1.263 1.00 0.00 O ATOM 367 CB ARG B 27 6.185 7.303 -1.716 1.00 0.00 C ATOM 368 CG ARG B 27 6.266 7.190 -3.224 1.00 0.00 C ATOM 369 CD ARG B 27 5.577 8.355 -3.912 1.00 0.00 C ATOM 370 NE ARG B 27 4.119 8.254 -3.823 1.00 0.00 N ATOM 371 CZ ARG B 27 3.316 9.257 -3.459 1.00 0.00 C ATOM 372 NH1 ARG B 27 3.823 10.437 -3.120 1.00 0.00 N ATOM 373 NH2 ARG B 27 1.999 9.081 -3.443 1.00 0.00 N ATOM 0 H ARG B 27 5.209 5.073 -2.045 1.00 0.00 H new ATOM 0 HA ARG B 27 7.785 5.950 -1.185 1.00 0.00 H new ATOM 0 HB2 ARG B 27 5.148 7.467 -1.425 1.00 0.00 H new ATOM 0 HB3 ARG B 27 6.749 8.177 -1.392 1.00 0.00 H new ATOM 0 HG2 ARG B 27 7.311 7.153 -3.531 1.00 0.00 H new ATOM 0 HG3 ARG B 27 5.807 6.255 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG B 27 5.905 9.290 -3.459 1.00 0.00 H new ATOM 0 HD3 ARG B 27 5.876 8.387 -4.960 1.00 0.00 H new ATOM 0 HE ARG B 27 3.688 7.359 -4.054 1.00 0.00 H new ATOM 0 HH11 ARG B 27 4.832 10.582 -3.137 1.00 0.00 H new ATOM 0 HH12 ARG B 27 3.203 11.198 -2.843 1.00 0.00 H new ATOM 0 HH21 ARG B 27 1.602 8.180 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG B 27 1.385 9.847 -3.165 1.00 0.00 H new ATOM 387 N LEU B 28 5.268 6.275 0.916 1.00 0.00 N ATOM 388 CA LEU B 28 4.924 6.662 2.280 1.00 0.00 C ATOM 389 C LEU B 28 5.072 5.515 3.275 1.00 0.00 C ATOM 390 O LEU B 28 5.407 5.742 4.436 1.00 0.00 O ATOM 391 CB LEU B 28 3.498 7.214 2.334 1.00 0.00 C ATOM 392 CG LEU B 28 3.241 8.450 1.466 1.00 0.00 C ATOM 393 CD1 LEU B 28 1.819 8.952 1.656 1.00 0.00 C ATOM 394 CD2 LEU B 28 4.240 9.549 1.787 1.00 0.00 C ATOM 0 H LEU B 28 4.467 6.045 0.328 1.00 0.00 H new ATOM 0 HA LEU B 28 5.632 7.437 2.572 1.00 0.00 H new ATOM 0 HB2 LEU B 28 2.809 6.426 2.029 1.00 0.00 H new ATOM 0 HB3 LEU B 28 3.261 7.461 3.369 1.00 0.00 H new ATOM 0 HG LEU B 28 3.369 8.165 0.422 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.657 9.830 1.031 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.116 8.169 1.372 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.663 9.217 2.702 1.00 0.00 H new ATOM 0 HD21 LEU B 28 4.040 10.417 1.159 1.00 0.00 H new ATOM 0 HD22 LEU B 28 4.147 9.830 2.836 1.00 0.00 H new ATOM 0 HD23 LEU B 28 5.251 9.189 1.596 1.00 0.00 H new ATOM 406 N GLU B 29 4.824 4.288 2.837 1.00 0.00 N ATOM 407 CA GLU B 29 4.882 3.150 3.750 1.00 0.00 C ATOM 408 C GLU B 29 6.040 2.225 3.418 1.00 0.00 C ATOM 409 O GLU B 29 6.184 1.153 4.005 1.00 0.00 O ATOM 410 CB GLU B 29 3.555 2.394 3.743 1.00 0.00 C ATOM 411 CG GLU B 29 2.412 3.253 4.245 1.00 0.00 C ATOM 412 CD GLU B 29 1.178 2.462 4.614 1.00 0.00 C ATOM 413 OE1 GLU B 29 1.278 1.568 5.484 1.00 0.00 O ATOM 414 OE2 GLU B 29 0.094 2.762 4.078 1.00 0.00 O ATOM 0 H GLU B 29 4.585 4.055 1.873 1.00 0.00 H new ATOM 0 HA GLU B 29 5.055 3.535 4.755 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.336 2.054 2.731 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.641 1.504 4.366 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.747 3.816 5.116 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.151 3.981 3.477 1.00 0.00 H new ATOM 421 N LYS B 30 6.858 2.667 2.472 1.00 0.00 N ATOM 422 CA LYS B 30 8.064 1.947 2.061 1.00 0.00 C ATOM 423 C LYS B 30 7.742 0.514 1.638 1.00 0.00 C ATOM 424 O LYS B 30 8.525 -0.410 1.871 1.00 0.00 O ATOM 425 CB LYS B 30 9.105 1.953 3.185 1.00 0.00 C ATOM 426 CG LYS B 30 9.560 3.348 3.585 1.00 0.00 C ATOM 427 CD LYS B 30 10.643 3.300 4.652 1.00 0.00 C ATOM 428 CE LYS B 30 11.085 4.695 5.065 1.00 0.00 C ATOM 429 NZ LYS B 30 9.998 5.447 5.743 1.00 0.00 N ATOM 0 H LYS B 30 6.706 3.538 1.964 1.00 0.00 H new ATOM 0 HA LYS B 30 8.480 2.464 1.197 1.00 0.00 H new ATOM 0 HB2 LYS B 30 8.688 1.452 4.058 1.00 0.00 H new ATOM 0 HB3 LYS B 30 9.972 1.374 2.869 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.936 3.874 2.708 1.00 0.00 H new ATOM 0 HG3 LYS B 30 8.708 3.917 3.956 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.271 2.762 5.524 1.00 0.00 H new ATOM 0 HD3 LYS B 30 11.501 2.743 4.276 1.00 0.00 H new ATOM 0 HE2 LYS B 30 11.944 4.620 5.732 1.00 0.00 H new ATOM 0 HE3 LYS B 30 11.412 5.247 4.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 10.388 6.311 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 9.268 5.704 5.048 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 9.576 4.853 6.485 1.00 0.00 H new ATOM 443 N ALA B 31 6.584 0.341 1.019 1.00 0.00 N ATOM 444 CA ALA B 31 6.168 -0.956 0.516 1.00 0.00 C ATOM 445 C ALA B 31 6.767 -1.192 -0.861 1.00 0.00 C ATOM 446 O ALA B 31 7.082 -0.246 -1.581 1.00 0.00 O ATOM 447 CB ALA B 31 4.649 -1.034 0.459 1.00 0.00 C ATOM 0 H ALA B 31 5.912 1.090 0.853 1.00 0.00 H new ATOM 0 HA ALA B 31 6.527 -1.733 1.191 1.00 0.00 H new ATOM 0 HB1 ALA B 31 4.349 -2.011 0.080 1.00 0.00 H new ATOM 0 HB2 ALA B 31 4.240 -0.891 1.459 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.269 -0.256 -0.203 1.00 0.00 H new ATOM 453 N ARG B 32 6.950 -2.454 -1.214 1.00 0.00 N ATOM 454 CA ARG B 32 7.525 -2.808 -2.497 1.00 0.00 C ATOM 455 C ARG B 32 6.444 -2.920 -3.560 1.00 0.00 C ATOM 456 O ARG B 32 6.694 -2.700 -4.742 1.00 0.00 O ATOM 457 CB ARG B 32 8.271 -4.128 -2.369 1.00 0.00 C ATOM 458 CG ARG B 32 9.326 -4.117 -1.277 1.00 0.00 C ATOM 459 CD ARG B 32 10.343 -3.004 -1.478 1.00 0.00 C ATOM 460 NE ARG B 32 11.004 -3.077 -2.777 1.00 0.00 N ATOM 461 CZ ARG B 32 11.723 -2.085 -3.297 1.00 0.00 C ATOM 462 NH1 ARG B 32 11.885 -0.955 -2.622 1.00 0.00 N ATOM 463 NH2 ARG B 32 12.276 -2.226 -4.494 1.00 0.00 N ATOM 0 H ARG B 32 6.707 -3.251 -0.626 1.00 0.00 H new ATOM 0 HA ARG B 32 8.219 -2.024 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG B 32 7.555 -4.924 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG B 32 8.746 -4.363 -3.321 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.843 -3.996 -0.307 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.839 -5.078 -1.259 1.00 0.00 H new ATOM 0 HD2 ARG B 32 9.845 -2.039 -1.382 1.00 0.00 H new ATOM 0 HD3 ARG B 32 11.093 -3.055 -0.689 1.00 0.00 H new ATOM 0 HE ARG B 32 10.910 -3.937 -3.317 1.00 0.00 H new ATOM 0 HH11 ARG B 32 11.458 -0.845 -1.702 1.00 0.00 H new ATOM 0 HH12 ARG B 32 12.436 -0.196 -3.023 1.00 0.00 H new ATOM 0 HH21 ARG B 32 12.150 -3.094 -5.015 1.00 0.00 H new ATOM 0 HH22 ARG B 32 12.827 -1.467 -4.894 1.00 0.00 H new ATOM 477 N HIS B 33 5.244 -3.263 -3.126 1.00 0.00 N ATOM 478 CA HIS B 33 4.110 -3.398 -4.024 1.00 0.00 C ATOM 479 C HIS B 33 2.828 -3.030 -3.275 1.00 0.00 C ATOM 480 O HIS B 33 2.860 -2.816 -2.066 1.00 0.00 O ATOM 481 CB HIS B 33 4.052 -4.838 -4.573 1.00 0.00 C ATOM 482 CG HIS B 33 2.968 -5.087 -5.582 1.00 0.00 C ATOM 483 ND1 HIS B 33 2.998 -4.574 -6.860 1.00 0.00 N ATOM 484 CD2 HIS B 33 1.808 -5.784 -5.490 1.00 0.00 C ATOM 485 CE1 HIS B 33 1.907 -4.935 -7.505 1.00 0.00 C ATOM 486 NE2 HIS B 33 1.171 -5.670 -6.697 1.00 0.00 N ATOM 0 H HIS B 33 5.029 -3.455 -2.148 1.00 0.00 H new ATOM 0 HA HIS B 33 4.217 -2.721 -4.872 1.00 0.00 H new ATOM 0 HB2 HIS B 33 5.013 -5.077 -5.028 1.00 0.00 H new ATOM 0 HB3 HIS B 33 3.915 -5.525 -3.738 1.00 0.00 H new ATOM 0 HD2 HIS B 33 1.453 -6.327 -4.627 1.00 0.00 H new ATOM 0 HE1 HIS B 33 1.659 -4.673 -8.523 1.00 0.00 H new ATOM 0 HE2 HIS B 33 0.271 -6.087 -6.933 1.00 0.00 H new ATOM 495 N GLY B 34 1.721 -2.924 -3.992 1.00 0.00 N ATOM 496 CA GLY B 34 0.441 -2.678 -3.364 1.00 0.00 C ATOM 497 C GLY B 34 -0.683 -2.804 -4.359 1.00 0.00 C ATOM 498 O GLY B 34 -0.456 -2.674 -5.562 1.00 0.00 O ATOM 0 H GLY B 34 1.687 -3.005 -5.008 1.00 0.00 H new ATOM 0 HA2 GLY B 34 0.290 -3.385 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY B 34 0.433 -1.680 -2.926 1.00 0.00 H new ATOM 502 N SER B 35 -1.884 -3.075 -3.873 1.00 0.00 N ATOM 503 CA SER B 35 -3.039 -3.267 -4.732 1.00 0.00 C ATOM 504 C SER B 35 -4.318 -3.108 -3.923 1.00 0.00 C ATOM 505 O SER B 35 -4.426 -3.622 -2.809 1.00 0.00 O ATOM 506 CB SER B 35 -3.008 -4.660 -5.378 1.00 0.00 C ATOM 507 OG SER B 35 -1.855 -4.828 -6.189 1.00 0.00 O ATOM 0 H SER B 35 -2.084 -3.167 -2.877 1.00 0.00 H new ATOM 0 HA SER B 35 -3.011 -2.515 -5.520 1.00 0.00 H new ATOM 0 HB2 SER B 35 -3.023 -5.424 -4.601 1.00 0.00 H new ATOM 0 HB3 SER B 35 -3.904 -4.803 -5.982 1.00 0.00 H new ATOM 0 HG SER B 35 -1.432 -3.957 -6.340 1.00 0.00 H new ATOM 513 N CYS B 36 -5.271 -2.373 -4.473 1.00 0.00 N ATOM 514 CA CYS B 36 -6.565 -2.239 -3.863 1.00 0.00 C ATOM 515 C CYS B 36 -7.293 -3.571 -3.894 1.00 0.00 C ATOM 516 O CYS B 36 -7.244 -4.295 -4.889 1.00 0.00 O ATOM 517 CB CYS B 36 -7.372 -1.186 -4.597 1.00 0.00 C ATOM 518 SG CYS B 36 -6.776 0.514 -4.374 1.00 0.00 S ATOM 0 H CYS B 36 -5.162 -1.860 -5.348 1.00 0.00 H new ATOM 0 HA CYS B 36 -6.441 -1.931 -2.825 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -7.369 -1.421 -5.661 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -8.407 -1.241 -4.261 1.00 0.00 H new ATOM 523 N ASN B 37 -7.960 -3.882 -2.808 1.00 0.00 N ATOM 524 CA ASN B 37 -8.620 -5.162 -2.654 1.00 0.00 C ATOM 525 C ASN B 37 -10.118 -4.965 -2.506 1.00 0.00 C ATOM 526 O ASN B 37 -10.591 -3.840 -2.355 1.00 0.00 O ATOM 527 CB ASN B 37 -8.062 -5.867 -1.420 1.00 0.00 C ATOM 528 CG ASN B 37 -8.397 -5.143 -0.136 1.00 0.00 C ATOM 529 OD1 ASN B 37 -8.644 -3.938 -0.119 1.00 0.00 O ATOM 530 ND2 ASN B 37 -8.377 -5.865 0.957 1.00 0.00 N ATOM 0 H ASN B 37 -8.062 -3.259 -2.007 1.00 0.00 H new ATOM 0 HA ASN B 37 -8.437 -5.772 -3.538 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -8.459 -6.881 -1.375 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -6.979 -5.952 -1.513 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.570 -5.430 1.859 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -8.168 -6.862 0.906 1.00 0.00 H new ATOM 537 N TYR B 38 -10.869 -6.049 -2.564 1.00 0.00 N ATOM 538 CA TYR B 38 -12.296 -5.974 -2.334 1.00 0.00 C ATOM 539 C TYR B 38 -12.652 -6.634 -1.006 1.00 0.00 C ATOM 540 O TYR B 38 -13.325 -7.667 -0.965 1.00 0.00 O ATOM 541 CB TYR B 38 -13.076 -6.612 -3.492 1.00 0.00 C ATOM 542 CG TYR B 38 -14.586 -6.489 -3.372 1.00 0.00 C ATOM 543 CD1 TYR B 38 -15.179 -5.439 -2.672 1.00 0.00 C ATOM 544 CD2 TYR B 38 -15.420 -7.431 -3.959 1.00 0.00 C ATOM 545 CE1 TYR B 38 -16.553 -5.339 -2.565 1.00 0.00 C ATOM 546 CE2 TYR B 38 -16.793 -7.335 -3.856 1.00 0.00 C ATOM 547 CZ TYR B 38 -17.355 -6.288 -3.159 1.00 0.00 C ATOM 548 OH TYR B 38 -18.723 -6.193 -3.058 1.00 0.00 O ATOM 0 H TYR B 38 -10.516 -6.984 -2.767 1.00 0.00 H new ATOM 0 HA TYR B 38 -12.581 -4.923 -2.284 1.00 0.00 H new ATOM 0 HB2 TYR B 38 -12.759 -6.150 -4.427 1.00 0.00 H new ATOM 0 HB3 TYR B 38 -12.813 -7.668 -3.553 1.00 0.00 H new ATOM 0 HD1 TYR B 38 -14.554 -4.692 -2.206 1.00 0.00 H new ATOM 0 HD2 TYR B 38 -14.986 -8.255 -4.507 1.00 0.00 H new ATOM 0 HE1 TYR B 38 -16.996 -4.520 -2.018 1.00 0.00 H new ATOM 0 HE2 TYR B 38 -17.425 -8.078 -4.320 1.00 0.00 H new ATOM 0 HH TYR B 38 -19.139 -6.942 -3.534 1.00 0.00 H new ATOM 558 N VAL B 39 -12.159 -6.056 0.080 1.00 0.00 N ATOM 559 CA VAL B 39 -12.635 -6.425 1.396 1.00 0.00 C ATOM 560 C VAL B 39 -14.009 -5.793 1.617 1.00 0.00 C ATOM 561 O VAL B 39 -14.131 -4.635 2.024 1.00 0.00 O ATOM 562 CB VAL B 39 -11.637 -6.024 2.513 1.00 0.00 C ATOM 563 CG1 VAL B 39 -11.206 -4.572 2.381 1.00 0.00 C ATOM 564 CG2 VAL B 39 -12.229 -6.285 3.893 1.00 0.00 C ATOM 0 H VAL B 39 -11.436 -5.336 0.072 1.00 0.00 H new ATOM 0 HA VAL B 39 -12.721 -7.510 1.448 1.00 0.00 H new ATOM 0 HB VAL B 39 -10.750 -6.646 2.397 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -10.507 -4.326 3.180 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -10.721 -4.423 1.416 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.080 -3.925 2.452 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -11.509 -5.995 4.658 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -13.142 -5.701 4.014 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.460 -7.345 3.995 1.00 0.00 H new ATOM 574 N PHE B 40 -15.039 -6.565 1.287 1.00 0.00 N ATOM 575 CA PHE B 40 -16.424 -6.110 1.344 1.00 0.00 C ATOM 576 C PHE B 40 -16.706 -5.387 2.663 1.00 0.00 C ATOM 577 O PHE B 40 -16.280 -5.836 3.729 1.00 0.00 O ATOM 578 CB PHE B 40 -17.357 -7.316 1.166 1.00 0.00 C ATOM 579 CG PHE B 40 -18.824 -6.986 1.135 1.00 0.00 C ATOM 580 CD1 PHE B 40 -19.419 -6.525 -0.027 1.00 0.00 C ATOM 581 CD2 PHE B 40 -19.608 -7.149 2.264 1.00 0.00 C ATOM 582 CE1 PHE B 40 -20.769 -6.233 -0.062 1.00 0.00 C ATOM 583 CE2 PHE B 40 -20.957 -6.857 2.236 1.00 0.00 C ATOM 584 CZ PHE B 40 -21.539 -6.398 1.072 1.00 0.00 C ATOM 0 H PHE B 40 -14.936 -7.529 0.971 1.00 0.00 H new ATOM 0 HA PHE B 40 -16.603 -5.398 0.539 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -17.095 -7.825 0.239 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -17.175 -8.020 1.978 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -18.821 -6.392 -0.916 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -19.159 -7.509 3.178 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -21.221 -5.876 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -21.557 -6.988 3.125 1.00 0.00 H new ATOM 0 HZ PHE B 40 -22.594 -6.168 1.048 1.00 0.00 H new ATOM 594 N PRO B 41 -17.445 -4.269 2.615 1.00 0.00 N ATOM 595 CA PRO B 41 -18.080 -3.758 1.404 1.00 0.00 C ATOM 596 C PRO B 41 -17.327 -2.611 0.719 1.00 0.00 C ATOM 597 O PRO B 41 -17.948 -1.766 0.072 1.00 0.00 O ATOM 598 CB PRO B 41 -19.388 -3.238 1.980 1.00 0.00 C ATOM 599 CG PRO B 41 -19.003 -2.667 3.310 1.00 0.00 C ATOM 600 CD PRO B 41 -17.767 -3.413 3.767 1.00 0.00 C ATOM 0 HA PRO B 41 -18.148 -4.516 0.624 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -19.834 -2.480 1.335 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -20.122 -4.037 2.087 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -18.801 -1.599 3.228 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -19.813 -2.784 4.030 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -16.950 -2.731 4.003 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -17.961 -4.001 4.664 1.00 0.00 H new ATOM 608 N ALA B 42 -16.006 -2.568 0.843 1.00 0.00 N ATOM 609 CA ALA B 42 -15.248 -1.455 0.278 1.00 0.00 C ATOM 610 C ALA B 42 -13.955 -1.912 -0.392 1.00 0.00 C ATOM 611 O ALA B 42 -13.369 -2.926 -0.021 1.00 0.00 O ATOM 612 CB ALA B 42 -14.938 -0.437 1.364 1.00 0.00 C ATOM 0 H ALA B 42 -15.445 -3.274 1.319 1.00 0.00 H new ATOM 0 HA ALA B 42 -15.868 -0.998 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -14.372 0.391 0.936 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -15.870 -0.060 1.786 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -14.349 -0.911 2.150 1.00 0.00 H new ATOM 618 N HIS B 43 -13.526 -1.156 -1.396 1.00 0.00 N ATOM 619 CA HIS B 43 -12.231 -1.376 -2.025 1.00 0.00 C ATOM 620 C HIS B 43 -11.169 -0.561 -1.316 1.00 0.00 C ATOM 621 O HIS B 43 -10.945 0.608 -1.641 1.00 0.00 O ATOM 622 CB HIS B 43 -12.258 -1.013 -3.511 1.00 0.00 C ATOM 623 CG HIS B 43 -12.672 -2.143 -4.396 1.00 0.00 C ATOM 624 ND1 HIS B 43 -11.769 -2.929 -5.080 1.00 0.00 N ATOM 625 CD2 HIS B 43 -13.895 -2.624 -4.705 1.00 0.00 C ATOM 626 CE1 HIS B 43 -12.418 -3.845 -5.767 1.00 0.00 C ATOM 627 NE2 HIS B 43 -13.712 -3.684 -5.561 1.00 0.00 N ATOM 0 H HIS B 43 -14.059 -0.382 -1.793 1.00 0.00 H new ATOM 0 HA HIS B 43 -11.995 -2.437 -1.943 1.00 0.00 H new ATOM 0 HB2 HIS B 43 -12.941 -0.177 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS B 43 -11.267 -0.672 -3.811 1.00 0.00 H new ATOM 0 HD2 HIS B 43 -14.841 -2.246 -4.346 1.00 0.00 H new ATOM 0 HE1 HIS B 43 -11.968 -4.601 -6.394 1.00 0.00 H new ATOM 0 HE2 HIS B 43 -14.454 -4.252 -5.970 1.00 0.00 H new ATOM 636 N LYS B 44 -10.535 -1.178 -0.335 1.00 0.00 N ATOM 637 CA LYS B 44 -9.522 -0.513 0.458 1.00 0.00 C ATOM 638 C LYS B 44 -8.175 -0.551 -0.238 1.00 0.00 C ATOM 639 O LYS B 44 -8.005 -1.195 -1.275 1.00 0.00 O ATOM 640 CB LYS B 44 -9.407 -1.194 1.816 1.00 0.00 C ATOM 641 CG LYS B 44 -10.715 -1.243 2.581 1.00 0.00 C ATOM 642 CD LYS B 44 -11.244 0.143 2.917 1.00 0.00 C ATOM 643 CE LYS B 44 -10.335 0.878 3.892 1.00 0.00 C ATOM 644 NZ LYS B 44 -10.261 0.200 5.214 1.00 0.00 N ATOM 0 H LYS B 44 -10.708 -2.147 -0.068 1.00 0.00 H new ATOM 0 HA LYS B 44 -9.817 0.528 0.587 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -9.040 -2.211 1.674 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -8.664 -0.668 2.416 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -11.458 -1.779 1.990 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -10.573 -1.808 3.502 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -11.341 0.726 2.001 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -12.242 0.056 3.347 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -9.334 0.952 3.467 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -10.699 1.896 4.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -9.819 0.837 5.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -11.220 -0.045 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -9.692 -0.667 5.128 1.00 0.00 H new ATOM 658 N CYS B 45 -7.224 0.137 0.355 1.00 0.00 N ATOM 659 CA CYS B 45 -5.868 0.156 -0.153 1.00 0.00 C ATOM 660 C CYS B 45 -5.018 -0.810 0.661 1.00 0.00 C ATOM 661 O CYS B 45 -4.853 -0.640 1.873 1.00 0.00 O ATOM 662 CB CYS B 45 -5.293 1.574 -0.083 1.00 0.00 C ATOM 663 SG CYS B 45 -3.573 1.727 -0.663 1.00 0.00 S ATOM 0 H CYS B 45 -7.366 0.695 1.197 1.00 0.00 H new ATOM 0 HA CYS B 45 -5.865 -0.156 -1.197 1.00 0.00 H new ATOM 0 HB2 CYS B 45 -5.923 2.237 -0.677 1.00 0.00 H new ATOM 0 HB3 CYS B 45 -5.347 1.923 0.948 1.00 0.00 H new ATOM 668 N ILE B 46 -4.512 -1.840 0.004 1.00 0.00 N ATOM 669 CA ILE B 46 -3.730 -2.856 0.678 1.00 0.00 C ATOM 670 C ILE B 46 -2.293 -2.862 0.150 1.00 0.00 C ATOM 671 O ILE B 46 -2.050 -3.123 -1.031 1.00 0.00 O ATOM 672 CB ILE B 46 -4.376 -4.257 0.517 1.00 0.00 C ATOM 673 CG1 ILE B 46 -5.725 -4.322 1.224 1.00 0.00 C ATOM 674 CG2 ILE B 46 -3.458 -5.347 1.032 1.00 0.00 C ATOM 675 CD1 ILE B 46 -5.685 -4.001 2.695 1.00 0.00 C ATOM 0 H ILE B 46 -4.631 -1.993 -0.998 1.00 0.00 H new ATOM 0 HA ILE B 46 -3.709 -2.617 1.741 1.00 0.00 H new ATOM 0 HB ILE B 46 -4.537 -4.423 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -6.409 -3.629 0.734 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -6.138 -5.323 1.096 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -3.938 -6.317 0.906 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -2.523 -5.330 0.472 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -3.251 -5.179 2.089 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -6.690 -4.073 3.111 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -5.030 -4.708 3.204 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -5.306 -2.989 2.836 1.00 0.00 H new ATOM 687 N CYS B 47 -1.348 -2.552 1.031 1.00 0.00 N ATOM 688 CA CYS B 47 0.061 -2.510 0.666 1.00 0.00 C ATOM 689 C CYS B 47 0.657 -3.909 0.724 1.00 0.00 C ATOM 690 O CYS B 47 0.210 -4.749 1.497 1.00 0.00 O ATOM 691 CB CYS B 47 0.834 -1.582 1.609 1.00 0.00 C ATOM 692 SG CYS B 47 0.086 0.065 1.826 1.00 0.00 S ATOM 0 H CYS B 47 -1.535 -2.325 2.008 1.00 0.00 H new ATOM 0 HA CYS B 47 0.141 -2.125 -0.351 1.00 0.00 H new ATOM 0 HB2 CYS B 47 0.916 -2.062 2.584 1.00 0.00 H new ATOM 0 HB3 CYS B 47 1.848 -1.460 1.228 1.00 0.00 H new ATOM 697 N TYR B 48 1.648 -4.166 -0.107 1.00 0.00 N ATOM 698 CA TYR B 48 2.303 -5.463 -0.135 1.00 0.00 C ATOM 699 C TYR B 48 3.743 -5.357 0.338 1.00 0.00 C ATOM 700 O TYR B 48 4.532 -4.568 -0.193 1.00 0.00 O ATOM 701 CB TYR B 48 2.270 -6.048 -1.543 1.00 0.00 C ATOM 702 CG TYR B 48 0.911 -6.547 -1.978 1.00 0.00 C ATOM 703 CD1 TYR B 48 -0.223 -5.766 -1.830 1.00 0.00 C ATOM 704 CD2 TYR B 48 0.775 -7.792 -2.562 1.00 0.00 C ATOM 705 CE1 TYR B 48 -1.455 -6.212 -2.245 1.00 0.00 C ATOM 706 CE2 TYR B 48 -0.452 -8.254 -2.978 1.00 0.00 C ATOM 707 CZ TYR B 48 -1.570 -7.460 -2.819 1.00 0.00 C ATOM 708 OH TYR B 48 -2.800 -7.921 -3.234 1.00 0.00 O ATOM 0 H TYR B 48 2.020 -3.491 -0.776 1.00 0.00 H new ATOM 0 HA TYR B 48 1.760 -6.123 0.541 1.00 0.00 H new ATOM 0 HB2 TYR B 48 2.608 -5.288 -2.248 1.00 0.00 H new ATOM 0 HB3 TYR B 48 2.981 -6.872 -1.598 1.00 0.00 H new ATOM 0 HD1 TYR B 48 -0.138 -4.788 -1.380 1.00 0.00 H new ATOM 0 HD2 TYR B 48 1.648 -8.414 -2.694 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -2.328 -5.588 -2.122 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -0.540 -9.232 -3.427 1.00 0.00 H new ATOM 0 HH TYR B 48 -2.701 -8.818 -3.617 1.00 0.00 H new ATOM 718 N PHE B 49 4.078 -6.154 1.335 1.00 0.00 N ATOM 719 CA PHE B 49 5.426 -6.193 1.867 1.00 0.00 C ATOM 720 C PHE B 49 5.997 -7.596 1.706 1.00 0.00 C ATOM 721 O PHE B 49 5.283 -8.586 1.885 1.00 0.00 O ATOM 722 CB PHE B 49 5.432 -5.779 3.341 1.00 0.00 C ATOM 723 CG PHE B 49 4.980 -4.361 3.565 1.00 0.00 C ATOM 724 CD1 PHE B 49 3.638 -4.066 3.738 1.00 0.00 C ATOM 725 CD2 PHE B 49 5.898 -3.323 3.593 1.00 0.00 C ATOM 726 CE1 PHE B 49 3.220 -2.766 3.935 1.00 0.00 C ATOM 727 CE2 PHE B 49 5.485 -2.020 3.792 1.00 0.00 C ATOM 728 CZ PHE B 49 4.143 -1.740 3.962 1.00 0.00 C ATOM 0 H PHE B 49 3.427 -6.789 1.797 1.00 0.00 H new ATOM 0 HA PHE B 49 6.048 -5.489 1.314 1.00 0.00 H new ATOM 0 HB2 PHE B 49 4.784 -6.452 3.902 1.00 0.00 H new ATOM 0 HB3 PHE B 49 6.439 -5.899 3.740 1.00 0.00 H new ATOM 0 HD1 PHE B 49 2.910 -4.863 3.718 1.00 0.00 H new ATOM 0 HD2 PHE B 49 6.948 -3.535 3.458 1.00 0.00 H new ATOM 0 HE1 PHE B 49 2.170 -2.551 4.068 1.00 0.00 H new ATOM 0 HE2 PHE B 49 6.211 -1.221 3.815 1.00 0.00 H new ATOM 0 HZ PHE B 49 3.817 -0.722 4.116 1.00 0.00 H new ATOM 738 N PRO B 50 7.281 -7.699 1.337 1.00 0.00 N ATOM 739 CA PRO B 50 7.951 -8.989 1.153 1.00 0.00 C ATOM 740 C PRO B 50 7.870 -9.849 2.400 1.00 0.00 C ATOM 741 O PRO B 50 8.240 -9.408 3.489 1.00 0.00 O ATOM 742 CB PRO B 50 9.404 -8.609 0.866 1.00 0.00 C ATOM 743 CG PRO B 50 9.341 -7.213 0.362 1.00 0.00 C ATOM 744 CD PRO B 50 8.185 -6.569 1.072 1.00 0.00 C ATOM 0 HA PRO B 50 7.491 -9.577 0.358 1.00 0.00 H new ATOM 0 HB2 PRO B 50 10.015 -8.677 1.766 1.00 0.00 H new ATOM 0 HB3 PRO B 50 9.848 -9.276 0.127 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.270 -6.682 0.567 1.00 0.00 H new ATOM 0 HG3 PRO B 50 9.195 -7.194 -0.718 1.00 0.00 H new ATOM 0 HD2 PRO B 50 8.500 -6.081 1.994 1.00 0.00 H new ATOM 0 HD3 PRO B 50 7.708 -5.807 0.455 1.00 0.00 H new ATOM 752 N CYS B 51 7.353 -11.056 2.244 1.00 0.00 N ATOM 753 CA CYS B 51 7.259 -11.989 3.357 1.00 0.00 C ATOM 754 C CYS B 51 8.652 -12.415 3.803 1.00 0.00 C ATOM 755 O CYS B 51 9.240 -13.311 3.159 1.00 0.00 O ATOM 756 CB CYS B 51 6.434 -13.211 2.961 1.00 0.00 C ATOM 757 SG CYS B 51 4.802 -12.806 2.266 1.00 0.00 S ATOM 758 OXT CYS B 51 9.163 -11.840 4.787 1.00 0.00 O ATOM 0 H CYS B 51 6.992 -11.414 1.360 1.00 0.00 H new ATOM 0 HA CYS B 51 6.761 -11.490 4.188 1.00 0.00 H new ATOM 0 HB2 CYS B 51 6.994 -13.794 2.230 1.00 0.00 H new ATOM 0 HB3 CYS B 51 6.298 -13.844 3.837 1.00 0.00 H new TER 763 CYS B 51