USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 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 6 LYS NZ :NH3+ 153:sc= -0.231 (180deg=-1.23!) USER MOD Set 1.2: A 24 TYR OH : rot -114:sc= 0.569 USER MOD Single : A 1 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.38) USER MOD Single : A 1 ASN N :NH3+ 157:sc= 0.00426 (180deg=-0.2) USER MOD Single : A 5 SER OG : rot 98:sc= 0.56 USER MOD Single : A 13 GLN : amide:sc= -0.767 K(o=-0.77,f=-7.3!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0274 K(o=-0.027,f=-1.1) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 97:sc= -0.139 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -118:sc= 1.28 (180deg=-0.308) USER MOD Single : A 38 THR OG1 : rot -4:sc= 0.777 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.02 K(o=-1,f=-4.2!) USER MOD Single : A 53 GLN : amide:sc= -0.0935 K(o=-0.093,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -65:sc= 1 USER MOD Single : A 63 SER OG : rot 85:sc= 0.0848 USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0209) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.890 0.731 13.194 1.00 0.00 N ATOM 2 CA ASN A 1 -12.430 0.513 11.804 1.00 0.00 C ATOM 3 C ASN A 1 -11.847 -0.876 11.676 1.00 0.00 C ATOM 4 O ASN A 1 -11.061 -1.285 12.515 1.00 0.00 O ATOM 5 CB ASN A 1 -11.375 1.554 11.356 1.00 0.00 C ATOM 6 CG ASN A 1 -10.418 1.936 12.481 1.00 0.00 C ATOM 7 OD1 ASN A 1 -10.338 3.084 12.856 1.00 0.00 O ATOM 8 ND2 ASN A 1 -9.761 0.996 13.124 1.00 0.00 N ATOM 0 H1 ASN A 1 -12.922 1.751 13.393 1.00 0.00 H new ATOM 0 H2 ASN A 1 -13.840 0.325 13.313 1.00 0.00 H new ATOM 0 H3 ASN A 1 -12.232 0.270 13.854 1.00 0.00 H new ATOM 0 HA ASN A 1 -13.298 0.627 11.155 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -10.805 1.152 10.519 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -11.882 2.449 10.995 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.189 1.236 13.933 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.824 0.026 12.814 1.00 0.00 H new ATOM 17 N GLU A 2 -12.141 -1.564 10.580 1.00 0.00 N ATOM 18 CA GLU A 2 -11.678 -2.946 10.381 1.00 0.00 C ATOM 19 C GLU A 2 -10.641 -3.009 9.256 1.00 0.00 C ATOM 20 O GLU A 2 -9.717 -3.813 9.283 1.00 0.00 O ATOM 21 CB GLU A 2 -12.854 -3.875 10.052 1.00 0.00 C ATOM 22 CG GLU A 2 -14.197 -3.506 10.709 1.00 0.00 C ATOM 23 CD GLU A 2 -14.093 -3.480 12.229 1.00 0.00 C ATOM 24 OE1 GLU A 2 -13.939 -4.578 12.805 1.00 0.00 O ATOM 25 OE2 GLU A 2 -14.056 -2.345 12.784 1.00 0.00 O ATOM 0 H GLU A 2 -12.698 -1.194 9.810 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.217 -3.280 11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.991 -3.890 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.589 -4.888 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.522 -2.529 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.959 -4.225 10.409 1.00 0.00 H new ATOM 32 N CYS A 3 -10.743 -2.100 8.280 1.00 0.00 N ATOM 33 CA CYS A 3 -9.796 -2.003 7.172 1.00 0.00 C ATOM 34 C CYS A 3 -8.360 -1.858 7.678 1.00 0.00 C ATOM 35 O CYS A 3 -7.508 -2.704 7.411 1.00 0.00 O ATOM 36 CB CYS A 3 -10.158 -0.805 6.294 1.00 0.00 C ATOM 37 SG CYS A 3 -11.641 -1.057 5.319 1.00 0.00 S ATOM 0 H CYS A 3 -11.491 -1.408 8.240 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.857 -2.922 6.589 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.293 0.072 6.927 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.325 -0.590 5.625 1.00 0.00 H new ATOM 42 N VAL A 4 -8.109 -0.805 8.461 1.00 0.00 N ATOM 43 CA VAL A 4 -6.793 -0.563 9.068 1.00 0.00 C ATOM 44 C VAL A 4 -6.338 -1.724 9.944 1.00 0.00 C ATOM 45 O VAL A 4 -5.159 -2.042 9.953 1.00 0.00 O ATOM 46 CB VAL A 4 -6.798 0.732 9.886 1.00 0.00 C ATOM 47 CG1 VAL A 4 -7.513 0.558 11.226 1.00 0.00 C ATOM 48 CG2 VAL A 4 -5.372 1.222 10.136 1.00 0.00 C ATOM 0 H VAL A 4 -8.807 -0.098 8.692 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.084 -0.467 8.246 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.341 1.473 9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.493 1.500 11.774 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.547 0.262 11.051 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.009 -0.212 11.810 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.401 2.143 10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.817 0.462 10.686 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.880 1.411 9.182 1.00 0.00 H new ATOM 58 N SER A 5 -7.278 -2.404 10.608 1.00 0.00 N ATOM 59 CA SER A 5 -7.004 -3.544 11.488 1.00 0.00 C ATOM 60 C SER A 5 -6.399 -4.701 10.711 1.00 0.00 C ATOM 61 O SER A 5 -5.628 -5.483 11.255 1.00 0.00 O ATOM 62 CB SER A 5 -8.288 -4.024 12.164 1.00 0.00 C ATOM 63 OG SER A 5 -8.868 -2.943 12.860 1.00 0.00 O ATOM 0 H SER A 5 -8.270 -2.173 10.548 1.00 0.00 H new ATOM 0 HA SER A 5 -6.294 -3.208 12.244 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.984 -4.411 11.420 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.070 -4.841 12.851 1.00 0.00 H new ATOM 0 HG SER A 5 -9.572 -2.540 12.310 1.00 0.00 H new ATOM 69 N LYS A 6 -6.730 -4.800 9.420 1.00 0.00 N ATOM 70 CA LYS A 6 -6.126 -5.773 8.520 1.00 0.00 C ATOM 71 C LYS A 6 -4.973 -5.231 7.692 1.00 0.00 C ATOM 72 O LYS A 6 -4.316 -6.033 7.035 1.00 0.00 O ATOM 73 CB LYS A 6 -7.221 -6.298 7.605 1.00 0.00 C ATOM 74 CG LYS A 6 -8.068 -7.384 8.256 1.00 0.00 C ATOM 75 CD LYS A 6 -7.308 -8.704 8.450 1.00 0.00 C ATOM 76 CE LYS A 6 -7.399 -9.622 7.223 1.00 0.00 C ATOM 77 NZ LYS A 6 -6.561 -9.144 6.086 1.00 0.00 N ATOM 0 H LYS A 6 -7.427 -4.204 8.974 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.690 -6.561 9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.866 -5.471 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.769 -6.693 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.422 -7.029 9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.950 -7.566 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.261 -8.489 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.708 -9.225 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.086 -10.628 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.438 -9.689 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.283 -9.954 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.106 -8.468 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.709 -8.676 6.455 1.00 0.00 H new ATOM 91 N GLY A 7 -4.768 -3.918 7.696 1.00 0.00 N ATOM 92 CA GLY A 7 -3.711 -3.255 6.950 1.00 0.00 C ATOM 93 C GLY A 7 -4.149 -2.888 5.541 1.00 0.00 C ATOM 94 O GLY A 7 -3.341 -3.010 4.627 1.00 0.00 O ATOM 0 H GLY A 7 -5.348 -3.272 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.404 -2.353 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.839 -3.907 6.900 1.00 0.00 H new ATOM 98 N PHE A 8 -5.406 -2.482 5.344 1.00 0.00 N ATOM 99 CA PHE A 8 -5.947 -2.027 4.059 1.00 0.00 C ATOM 100 C PHE A 8 -5.941 -0.505 3.949 1.00 0.00 C ATOM 101 O PHE A 8 -5.842 0.202 4.950 1.00 0.00 O ATOM 102 CB PHE A 8 -7.371 -2.556 3.876 1.00 0.00 C ATOM 103 CG PHE A 8 -7.410 -4.043 3.648 1.00 0.00 C ATOM 104 CD1 PHE A 8 -6.927 -4.583 2.448 1.00 0.00 C ATOM 105 CD2 PHE A 8 -7.912 -4.891 4.637 1.00 0.00 C ATOM 106 CE1 PHE A 8 -6.974 -5.971 2.238 1.00 0.00 C ATOM 107 CE2 PHE A 8 -7.910 -6.276 4.438 1.00 0.00 C ATOM 108 CZ PHE A 8 -7.463 -6.827 3.229 1.00 0.00 C ATOM 0 H PHE A 8 -6.096 -2.460 6.095 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.305 -2.420 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.962 -2.312 4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.837 -2.050 3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.520 -3.934 1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.302 -4.478 5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.629 -6.381 1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.257 -6.929 5.226 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.496 -7.894 3.066 1.00 0.00 H new ATOM 118 N GLY A 9 -6.125 -0.006 2.726 1.00 0.00 N ATOM 119 CA GLY A 9 -6.149 1.423 2.429 1.00 0.00 C ATOM 120 C GLY A 9 -7.528 1.867 1.963 1.00 0.00 C ATOM 121 O GLY A 9 -8.153 1.237 1.113 1.00 0.00 O ATOM 0 H GLY A 9 -6.263 -0.593 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.864 1.986 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.412 1.649 1.658 1.00 0.00 H new ATOM 125 N CYS A 10 -8.026 2.951 2.545 1.00 0.00 N ATOM 126 CA CYS A 10 -9.296 3.532 2.149 1.00 0.00 C ATOM 127 C CYS A 10 -9.139 4.361 0.894 1.00 0.00 C ATOM 128 O CYS A 10 -8.361 5.308 0.898 1.00 0.00 O ATOM 129 CB CYS A 10 -9.816 4.397 3.291 1.00 0.00 C ATOM 130 SG CYS A 10 -10.016 3.440 4.801 1.00 0.00 S ATOM 0 H CYS A 10 -7.559 3.449 3.303 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.007 2.734 1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.125 5.221 3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.772 4.838 3.009 1.00 0.00 H new ATOM 135 N LEU A 11 -9.913 4.039 -0.141 1.00 0.00 N ATOM 136 CA LEU A 11 -9.892 4.764 -1.408 1.00 0.00 C ATOM 137 C LEU A 11 -11.292 4.969 -1.962 1.00 0.00 C ATOM 138 O LEU A 11 -12.153 4.171 -1.639 1.00 0.00 O ATOM 139 CB LEU A 11 -9.051 3.976 -2.420 1.00 0.00 C ATOM 140 CG LEU A 11 -7.540 4.120 -2.196 1.00 0.00 C ATOM 141 CD1 LEU A 11 -6.808 3.293 -3.246 1.00 0.00 C ATOM 142 CD2 LEU A 11 -7.116 5.592 -2.267 1.00 0.00 C ATOM 0 H LEU A 11 -10.575 3.264 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.457 5.748 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.321 2.921 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.296 4.314 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.283 3.755 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.732 3.387 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.097 2.246 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.070 3.654 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.041 5.669 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.365 5.995 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.640 6.159 -1.498 1.00 0.00 H new ATOM 154 N PRO A 12 -11.536 5.992 -2.794 1.00 0.00 N ATOM 155 CA PRO A 12 -12.832 6.259 -3.414 1.00 0.00 C ATOM 156 C PRO A 12 -13.221 5.122 -4.344 1.00 0.00 C ATOM 157 O PRO A 12 -12.398 4.644 -5.106 1.00 0.00 O ATOM 158 CB PRO A 12 -12.667 7.595 -4.141 1.00 0.00 C ATOM 159 CG PRO A 12 -11.173 7.680 -4.417 1.00 0.00 C ATOM 160 CD PRO A 12 -10.531 6.922 -3.269 1.00 0.00 C ATOM 0 HA PRO A 12 -13.642 6.322 -2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.246 7.622 -5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.008 8.429 -3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.921 7.233 -5.378 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.833 8.715 -4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.637 6.394 -3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.223 7.603 -2.475 1.00 0.00 H new ATOM 168 N GLN A 13 -14.494 4.720 -4.360 1.00 0.00 N ATOM 169 CA GLN A 13 -15.023 3.678 -5.258 1.00 0.00 C ATOM 170 C GLN A 13 -14.688 3.904 -6.730 1.00 0.00 C ATOM 171 O GLN A 13 -14.708 2.955 -7.507 1.00 0.00 O ATOM 172 CB GLN A 13 -16.552 3.661 -5.180 1.00 0.00 C ATOM 173 CG GLN A 13 -17.129 3.122 -3.876 1.00 0.00 C ATOM 174 CD GLN A 13 -17.278 4.204 -2.810 1.00 0.00 C ATOM 175 OE1 GLN A 13 -16.863 5.334 -2.955 1.00 0.00 O ATOM 176 NE2 GLN A 13 -17.870 3.867 -1.699 1.00 0.00 N ATOM 0 H GLN A 13 -15.202 5.113 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.561 2.749 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.919 4.677 -5.329 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -16.935 3.060 -6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -18.103 2.673 -4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.483 2.330 -3.497 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.220 2.917 -1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -17.984 4.553 -0.953 1.00 0.00 H new ATOM 185 N SER A 14 -14.493 5.166 -7.114 1.00 0.00 N ATOM 186 CA SER A 14 -13.980 5.548 -8.428 1.00 0.00 C ATOM 187 C SER A 14 -12.537 5.097 -8.665 1.00 0.00 C ATOM 188 O SER A 14 -12.257 4.535 -9.712 1.00 0.00 O ATOM 189 CB SER A 14 -14.083 7.064 -8.591 1.00 0.00 C ATOM 190 OG SER A 14 -15.379 7.407 -9.039 1.00 0.00 O ATOM 0 H SER A 14 -14.691 5.964 -6.510 1.00 0.00 H new ATOM 0 HA SER A 14 -14.592 5.039 -9.172 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.873 7.557 -7.642 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.337 7.415 -9.304 1.00 0.00 H new ATOM 0 HG SER A 14 -15.443 8.380 -9.141 1.00 0.00 H new ATOM 196 N ASP A 15 -11.638 5.320 -7.703 1.00 0.00 N ATOM 197 CA ASP A 15 -10.239 4.867 -7.777 1.00 0.00 C ATOM 198 C ASP A 15 -10.101 3.359 -7.510 1.00 0.00 C ATOM 199 O ASP A 15 -9.309 2.668 -8.141 1.00 0.00 O ATOM 200 CB ASP A 15 -9.409 5.650 -6.757 1.00 0.00 C ATOM 201 CG ASP A 15 -7.915 5.438 -6.949 1.00 0.00 C ATOM 202 OD1 ASP A 15 -7.408 5.904 -7.988 1.00 0.00 O ATOM 203 OD2 ASP A 15 -7.307 4.896 -6.007 1.00 0.00 O ATOM 0 H ASP A 15 -11.858 5.823 -6.843 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.877 5.050 -8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.638 6.712 -6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.691 5.344 -5.750 1.00 0.00 H new ATOM 208 N CYS A 16 -10.910 2.819 -6.593 1.00 0.00 N ATOM 209 CA CYS A 16 -10.862 1.411 -6.236 1.00 0.00 C ATOM 210 C CYS A 16 -11.790 0.562 -7.127 1.00 0.00 C ATOM 211 O CYS A 16 -13.017 0.746 -7.100 1.00 0.00 O ATOM 212 CB CYS A 16 -11.232 1.222 -4.767 1.00 0.00 C ATOM 213 SG CYS A 16 -10.757 -0.402 -4.159 1.00 0.00 S ATOM 0 H CYS A 16 -11.614 3.351 -6.082 1.00 0.00 H new ATOM 0 HA CYS A 16 -9.840 1.068 -6.397 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.744 1.991 -4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.307 1.356 -4.643 1.00 0.00 H new ATOM 218 N PRO A 17 -11.258 -0.439 -7.849 1.00 0.00 N ATOM 219 CA PRO A 17 -12.054 -1.281 -8.730 1.00 0.00 C ATOM 220 C PRO A 17 -13.090 -2.062 -7.931 1.00 0.00 C ATOM 221 O PRO A 17 -12.805 -2.508 -6.818 1.00 0.00 O ATOM 222 CB PRO A 17 -11.053 -2.215 -9.411 1.00 0.00 C ATOM 223 CG PRO A 17 -9.886 -2.289 -8.433 1.00 0.00 C ATOM 224 CD PRO A 17 -9.890 -0.920 -7.759 1.00 0.00 C ATOM 0 HA PRO A 17 -12.612 -0.698 -9.462 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.485 -3.199 -9.591 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.738 -1.824 -10.378 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.021 -3.092 -7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.944 -2.479 -8.948 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.569 -0.995 -6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.202 -0.237 -8.257 1.00 0.00 H new ATOM 232 N GLN A 18 -14.264 -2.321 -8.523 1.00 0.00 N ATOM 233 CA GLN A 18 -15.324 -3.145 -7.915 1.00 0.00 C ATOM 234 C GLN A 18 -14.835 -4.522 -7.429 1.00 0.00 C ATOM 235 O GLN A 18 -15.480 -5.128 -6.585 1.00 0.00 O ATOM 236 CB GLN A 18 -16.500 -3.322 -8.887 1.00 0.00 C ATOM 237 CG GLN A 18 -16.097 -4.042 -10.187 1.00 0.00 C ATOM 238 CD GLN A 18 -17.280 -4.619 -10.954 1.00 0.00 C ATOM 239 OE1 GLN A 18 -18.340 -4.895 -10.419 1.00 0.00 O ATOM 240 NE2 GLN A 18 -17.130 -4.820 -12.236 1.00 0.00 N ATOM 0 H GLN A 18 -14.509 -1.962 -9.446 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.653 -2.599 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.291 -3.888 -8.394 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.913 -2.344 -9.132 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.564 -3.342 -10.830 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.402 -4.847 -9.947 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.245 -4.591 -12.688 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.898 -5.206 -12.785 1.00 0.00 H new ATOM 249 N GLU A 19 -13.692 -4.987 -7.940 1.00 0.00 N ATOM 250 CA GLU A 19 -13.053 -6.240 -7.542 1.00 0.00 C ATOM 251 C GLU A 19 -12.200 -6.103 -6.276 1.00 0.00 C ATOM 252 O GLU A 19 -12.046 -7.058 -5.516 1.00 0.00 O ATOM 253 CB GLU A 19 -12.186 -6.751 -8.705 1.00 0.00 C ATOM 254 CG GLU A 19 -10.775 -6.136 -8.752 1.00 0.00 C ATOM 255 CD GLU A 19 -9.975 -6.624 -9.953 1.00 0.00 C ATOM 256 OE1 GLU A 19 -9.866 -7.862 -10.086 1.00 0.00 O ATOM 257 OE2 GLU A 19 -9.495 -5.745 -10.699 1.00 0.00 O ATOM 0 H GLU A 19 -13.173 -4.487 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.844 -6.952 -7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.096 -7.835 -8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.695 -6.538 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.855 -5.050 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.241 -6.386 -7.836 1.00 0.00 H new ATOM 264 N ALA A 20 -11.589 -4.931 -6.073 1.00 0.00 N ATOM 265 CA ALA A 20 -10.782 -4.635 -4.901 1.00 0.00 C ATOM 266 C ALA A 20 -11.615 -4.089 -3.759 1.00 0.00 C ATOM 267 O ALA A 20 -11.146 -4.138 -2.631 1.00 0.00 O ATOM 268 CB ALA A 20 -9.744 -3.592 -5.239 1.00 0.00 C ATOM 0 H ALA A 20 -11.647 -4.155 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.320 -5.573 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.144 -3.376 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.098 -3.965 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.240 -2.680 -5.573 1.00 0.00 H new ATOM 274 N ARG A 21 -12.813 -3.554 -4.038 1.00 0.00 N ATOM 275 CA ARG A 21 -13.746 -3.087 -3.012 1.00 0.00 C ATOM 276 C ARG A 21 -14.037 -4.206 -2.022 1.00 0.00 C ATOM 277 O ARG A 21 -14.555 -5.253 -2.393 1.00 0.00 O ATOM 278 CB ARG A 21 -15.051 -2.593 -3.628 1.00 0.00 C ATOM 279 CG ARG A 21 -14.840 -1.374 -4.528 1.00 0.00 C ATOM 280 CD ARG A 21 -16.172 -0.680 -4.783 1.00 0.00 C ATOM 281 NE ARG A 21 -16.100 0.207 -5.957 1.00 0.00 N ATOM 282 CZ ARG A 21 -17.138 0.553 -6.688 1.00 0.00 C ATOM 283 NH1 ARG A 21 -18.346 0.184 -6.354 1.00 0.00 N ATOM 284 NH2 ARG A 21 -16.994 1.310 -7.732 1.00 0.00 N ATOM 0 H ARG A 21 -13.160 -3.434 -4.990 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.278 -2.251 -2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.504 -3.397 -4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.753 -2.339 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.143 -0.680 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.394 -1.682 -5.474 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.950 -1.428 -4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.456 -0.101 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.187 0.577 -6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.494 -0.380 -5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.141 0.460 -6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.067 1.645 -7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.808 1.570 -8.289 1.00 0.00 H new ATOM 298 N LEU A 22 -13.708 -3.982 -0.758 1.00 0.00 N ATOM 299 CA LEU A 22 -13.938 -4.954 0.308 1.00 0.00 C ATOM 300 C LEU A 22 -15.163 -4.553 1.137 1.00 0.00 C ATOM 301 O LEU A 22 -15.709 -3.457 1.000 1.00 0.00 O ATOM 302 CB LEU A 22 -12.691 -5.058 1.200 1.00 0.00 C ATOM 303 CG LEU A 22 -11.327 -5.191 0.496 1.00 0.00 C ATOM 304 CD1 LEU A 22 -10.200 -4.544 1.296 1.00 0.00 C ATOM 305 CD2 LEU A 22 -11.020 -6.649 0.144 1.00 0.00 C ATOM 0 H LEU A 22 -13.272 -3.117 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.131 -5.930 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.657 -4.174 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.817 -5.919 1.857 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.394 -4.639 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.258 -4.663 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.410 -3.483 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.125 -5.023 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.051 -6.707 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.998 -7.247 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.792 -7.033 -0.523 1.00 0.00 H new ATOM 317 N SER A 23 -15.528 -5.407 2.091 1.00 0.00 N ATOM 318 CA SER A 23 -16.654 -5.190 3.008 1.00 0.00 C ATOM 319 C SER A 23 -16.191 -5.125 4.460 1.00 0.00 C ATOM 320 O SER A 23 -16.916 -5.472 5.381 1.00 0.00 O ATOM 321 CB SER A 23 -17.717 -6.265 2.788 1.00 0.00 C ATOM 322 OG SER A 23 -19.000 -5.754 3.077 1.00 0.00 O ATOM 0 H SER A 23 -15.042 -6.289 2.255 1.00 0.00 H new ATOM 0 HA SER A 23 -17.103 -4.221 2.788 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.682 -6.615 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.510 -7.126 3.424 1.00 0.00 H new ATOM 0 HG SER A 23 -19.671 -6.453 2.930 1.00 0.00 H new ATOM 328 N TYR A 24 -14.959 -4.660 4.683 1.00 0.00 N ATOM 329 CA TYR A 24 -14.443 -4.480 6.040 1.00 0.00 C ATOM 330 C TYR A 24 -15.170 -3.358 6.783 1.00 0.00 C ATOM 331 O TYR A 24 -15.070 -3.282 7.988 1.00 0.00 O ATOM 332 CB TYR A 24 -12.941 -4.195 5.985 1.00 0.00 C ATOM 333 CG TYR A 24 -12.113 -5.409 5.665 1.00 0.00 C ATOM 334 CD1 TYR A 24 -11.811 -6.360 6.652 1.00 0.00 C ATOM 335 CD2 TYR A 24 -11.666 -5.592 4.355 1.00 0.00 C ATOM 336 CE1 TYR A 24 -11.089 -7.516 6.303 1.00 0.00 C ATOM 337 CE2 TYR A 24 -10.949 -6.746 3.998 1.00 0.00 C ATOM 338 CZ TYR A 24 -10.673 -7.718 4.970 1.00 0.00 C ATOM 339 OH TYR A 24 -9.870 -8.764 4.641 1.00 0.00 O ATOM 0 H TYR A 24 -14.304 -4.403 3.945 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.621 -5.402 6.593 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.752 -3.427 5.235 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -12.621 -3.789 6.944 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.131 -6.206 7.672 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.873 -4.839 3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.852 -8.251 7.058 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.612 -6.884 2.981 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.000 -8.427 4.342 1.00 0.00 H new ATOM 349 N GLY A 25 -15.870 -2.451 6.098 1.00 0.00 N ATOM 350 CA GLY A 25 -16.615 -1.372 6.757 1.00 0.00 C ATOM 351 C GLY A 25 -15.724 -0.509 7.651 1.00 0.00 C ATOM 352 O GLY A 25 -16.017 -0.258 8.814 1.00 0.00 O ATOM 0 H GLY A 25 -15.937 -2.442 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.083 -0.743 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.418 -1.802 7.356 1.00 0.00 H new ATOM 356 N GLY A 26 -14.597 -0.054 7.102 1.00 0.00 N ATOM 357 CA GLY A 26 -13.628 0.747 7.845 1.00 0.00 C ATOM 358 C GLY A 26 -12.987 1.840 7.017 1.00 0.00 C ATOM 359 O GLY A 26 -11.816 2.120 7.241 1.00 0.00 O ATOM 0 H GLY A 26 -14.332 -0.230 6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.124 1.197 8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.848 0.092 8.233 1.00 0.00 H new ATOM 363 N CYS A 27 -13.733 2.420 6.075 1.00 0.00 N ATOM 364 CA CYS A 27 -13.264 3.492 5.206 1.00 0.00 C ATOM 365 C CYS A 27 -14.353 4.520 4.940 1.00 0.00 C ATOM 366 O CYS A 27 -15.523 4.159 4.877 1.00 0.00 O ATOM 367 CB CYS A 27 -12.784 2.874 3.891 1.00 0.00 C ATOM 368 SG CYS A 27 -11.238 1.980 4.106 1.00 0.00 S ATOM 0 H CYS A 27 -14.700 2.149 5.894 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.446 4.016 5.701 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.547 2.196 3.507 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.651 3.659 3.147 1.00 0.00 H new ATOM 373 N SER A 28 -13.949 5.773 4.711 1.00 0.00 N ATOM 374 CA SER A 28 -14.880 6.872 4.430 1.00 0.00 C ATOM 375 C SER A 28 -15.727 6.582 3.198 1.00 0.00 C ATOM 376 O SER A 28 -16.934 6.776 3.202 1.00 0.00 O ATOM 377 CB SER A 28 -14.115 8.183 4.217 1.00 0.00 C ATOM 378 OG SER A 28 -13.582 8.639 5.441 1.00 0.00 O ATOM 0 H SER A 28 -12.969 6.055 4.715 1.00 0.00 H new ATOM 0 HA SER A 28 -15.539 6.968 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.312 8.031 3.496 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.781 8.937 3.798 1.00 0.00 H new ATOM 0 HG SER A 28 -13.094 9.476 5.294 1.00 0.00 H new ATOM 384 N THR A 29 -15.081 6.107 2.134 1.00 0.00 N ATOM 385 CA THR A 29 -15.745 5.788 0.869 1.00 0.00 C ATOM 386 C THR A 29 -15.859 4.270 0.718 1.00 0.00 C ATOM 387 O THR A 29 -16.930 3.708 0.926 1.00 0.00 O ATOM 388 CB THR A 29 -15.019 6.463 -0.298 1.00 0.00 C ATOM 389 OG1 THR A 29 -13.719 5.970 -0.387 1.00 0.00 O ATOM 390 CG2 THR A 29 -14.840 7.970 -0.170 1.00 0.00 C ATOM 0 H THR A 29 -14.076 5.931 2.124 1.00 0.00 H new ATOM 0 HA THR A 29 -16.760 6.185 0.865 1.00 0.00 H new ATOM 0 HB THR A 29 -15.653 6.249 -1.158 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.686 5.254 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.315 8.350 -1.047 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.817 8.448 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.259 8.193 0.725 1.00 0.00 H new ATOM 398 N VAL A 30 -14.760 3.588 0.385 1.00 0.00 N ATOM 399 CA VAL A 30 -14.667 2.147 0.214 1.00 0.00 C ATOM 400 C VAL A 30 -13.281 1.651 0.610 1.00 0.00 C ATOM 401 O VAL A 30 -12.267 2.339 0.506 1.00 0.00 O ATOM 402 CB VAL A 30 -15.035 1.759 -1.220 1.00 0.00 C ATOM 403 CG1 VAL A 30 -14.037 2.189 -2.285 1.00 0.00 C ATOM 404 CG2 VAL A 30 -15.326 0.279 -1.376 1.00 0.00 C ATOM 0 H VAL A 30 -13.869 4.056 0.220 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.383 1.659 0.876 1.00 0.00 H new ATOM 0 HB VAL A 30 -15.948 2.329 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -14.389 1.867 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.938 3.274 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.068 1.734 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -15.581 0.066 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.445 -0.297 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -16.162 0.003 -0.733 1.00 0.00 H new ATOM 414 N CYS A 31 -13.232 0.436 1.127 1.00 0.00 N ATOM 415 CA CYS A 31 -11.967 -0.220 1.404 1.00 0.00 C ATOM 416 C CYS A 31 -11.372 -0.814 0.131 1.00 0.00 C ATOM 417 O CYS A 31 -12.072 -1.536 -0.581 1.00 0.00 O ATOM 418 CB CYS A 31 -12.245 -1.302 2.430 1.00 0.00 C ATOM 419 SG CYS A 31 -10.882 -1.678 3.542 1.00 0.00 S ATOM 0 H CYS A 31 -14.056 -0.117 1.364 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.238 0.494 1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.106 -1.001 3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.525 -2.215 1.904 1.00 0.00 H new ATOM 424 N CYS A 32 -10.093 -0.550 -0.122 1.00 0.00 N ATOM 425 CA CYS A 32 -9.350 -1.090 -1.251 1.00 0.00 C ATOM 426 C CYS A 32 -8.300 -2.103 -0.804 1.00 0.00 C ATOM 427 O CYS A 32 -7.615 -1.926 0.210 1.00 0.00 O ATOM 428 CB CYS A 32 -8.718 0.069 -2.023 1.00 0.00 C ATOM 429 SG CYS A 32 -8.766 -0.183 -3.803 1.00 0.00 S ATOM 0 H CYS A 32 -9.532 0.062 0.470 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.035 -1.629 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.240 0.994 -1.776 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.683 0.192 -1.704 1.00 0.00 H new ATOM 434 N ASP A 33 -8.182 -3.184 -1.569 1.00 0.00 N ATOM 435 CA ASP A 33 -7.221 -4.243 -1.306 1.00 0.00 C ATOM 436 C ASP A 33 -5.826 -3.884 -1.818 1.00 0.00 C ATOM 437 O ASP A 33 -5.520 -4.036 -3.001 1.00 0.00 O ATOM 438 CB ASP A 33 -7.700 -5.569 -1.899 1.00 0.00 C ATOM 439 CG ASP A 33 -6.874 -6.736 -1.369 1.00 0.00 C ATOM 440 OD1 ASP A 33 -5.787 -6.478 -0.802 1.00 0.00 O ATOM 441 OD2 ASP A 33 -7.342 -7.883 -1.528 1.00 0.00 O ATOM 0 H ASP A 33 -8.757 -3.348 -2.395 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.147 -4.358 -0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.751 -5.722 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.628 -5.532 -2.986 1.00 0.00 H new ATOM 446 N LEU A 34 -4.941 -3.460 -0.918 1.00 0.00 N ATOM 447 CA LEU A 34 -3.569 -3.136 -1.292 1.00 0.00 C ATOM 448 C LEU A 34 -2.809 -4.354 -1.815 1.00 0.00 C ATOM 449 O LEU A 34 -1.786 -4.161 -2.444 1.00 0.00 O ATOM 450 CB LEU A 34 -2.801 -2.592 -0.090 1.00 0.00 C ATOM 451 CG LEU A 34 -3.426 -1.351 0.564 1.00 0.00 C ATOM 452 CD1 LEU A 34 -2.983 -1.295 2.014 1.00 0.00 C ATOM 453 CD2 LEU A 34 -3.020 -0.061 -0.144 1.00 0.00 C ATOM 0 H LEU A 34 -5.150 -3.334 0.072 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.636 -2.389 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.721 -3.379 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.786 -2.348 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.510 -1.434 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.418 -0.419 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.316 -2.195 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.896 -1.231 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.486 0.789 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.936 0.048 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.348 -0.098 -1.183 1.00 0.00 H new ATOM 465 N SER A 35 -3.245 -5.585 -1.538 1.00 0.00 N ATOM 466 CA SER A 35 -2.632 -6.816 -2.063 1.00 0.00 C ATOM 467 C SER A 35 -2.842 -6.973 -3.570 1.00 0.00 C ATOM 468 O SER A 35 -1.964 -7.465 -4.276 1.00 0.00 O ATOM 469 CB SER A 35 -3.247 -8.025 -1.350 1.00 0.00 C ATOM 470 OG SER A 35 -2.666 -9.244 -1.751 1.00 0.00 O ATOM 0 H SER A 35 -4.047 -5.762 -0.933 1.00 0.00 H new ATOM 0 HA SER A 35 -1.559 -6.754 -1.880 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.127 -7.907 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.318 -8.054 -1.550 1.00 0.00 H new ATOM 0 HG SER A 35 -3.091 -9.983 -1.268 1.00 0.00 H new ATOM 476 N LYS A 36 -4.027 -6.594 -4.066 1.00 0.00 N ATOM 477 CA LYS A 36 -4.344 -6.649 -5.500 1.00 0.00 C ATOM 478 C LYS A 36 -3.945 -5.372 -6.221 1.00 0.00 C ATOM 479 O LYS A 36 -3.515 -5.430 -7.366 1.00 0.00 O ATOM 480 CB LYS A 36 -5.837 -6.907 -5.718 1.00 0.00 C ATOM 481 CG LYS A 36 -6.298 -8.199 -5.035 1.00 0.00 C ATOM 482 CD LYS A 36 -7.688 -8.626 -5.519 1.00 0.00 C ATOM 483 CE LYS A 36 -8.785 -7.949 -4.692 1.00 0.00 C ATOM 484 NZ LYS A 36 -10.036 -8.740 -4.703 1.00 0.00 N ATOM 0 H LYS A 36 -4.790 -6.242 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.766 -7.474 -5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.411 -6.066 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.043 -6.968 -6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.581 -8.995 -5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.317 -8.054 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.807 -8.366 -6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.787 -9.709 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.442 -7.822 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.979 -6.953 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.796 -8.181 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.890 -9.613 -5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.302 -8.982 -3.727 1.00 0.00 H new ATOM 498 N LEU A 37 -4.103 -4.227 -5.554 1.00 0.00 N ATOM 499 CA LEU A 37 -3.752 -2.925 -6.112 1.00 0.00 C ATOM 500 C LEU A 37 -2.246 -2.740 -6.198 1.00 0.00 C ATOM 501 O LEU A 37 -1.727 -2.286 -7.216 1.00 0.00 O ATOM 502 CB LEU A 37 -4.375 -1.794 -5.267 1.00 0.00 C ATOM 503 CG LEU A 37 -5.779 -1.360 -5.705 1.00 0.00 C ATOM 504 CD1 LEU A 37 -5.901 -1.151 -7.212 1.00 0.00 C ATOM 505 CD2 LEU A 37 -6.827 -2.367 -5.281 1.00 0.00 C ATOM 0 H LEU A 37 -4.480 -4.180 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.154 -2.882 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.419 -2.119 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.715 -0.927 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.948 -0.405 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.918 -0.845 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.203 -0.376 -7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.669 -2.082 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.810 -2.028 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.607 -3.334 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.819 -2.465 -4.195 1.00 0.00 H new ATOM 517 N THR A 38 -1.546 -3.048 -5.110 1.00 0.00 N ATOM 518 CA THR A 38 -0.096 -2.890 -4.992 1.00 0.00 C ATOM 519 C THR A 38 0.553 -4.163 -4.455 1.00 0.00 C ATOM 520 O THR A 38 -0.068 -5.208 -4.316 1.00 0.00 O ATOM 521 CB THR A 38 0.264 -1.652 -4.146 1.00 0.00 C ATOM 522 OG1 THR A 38 -0.224 -1.753 -2.830 1.00 0.00 O ATOM 523 CG2 THR A 38 -0.226 -0.344 -4.767 1.00 0.00 C ATOM 0 H THR A 38 -1.979 -3.423 -4.266 1.00 0.00 H new ATOM 0 HA THR A 38 0.308 -2.721 -5.990 1.00 0.00 H new ATOM 0 HB THR A 38 1.354 -1.629 -4.122 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.760 -2.568 -2.742 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.057 0.491 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.226 -0.216 -5.751 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.311 -0.373 -4.867 1.00 0.00 H new ATOM 531 N GLY A 39 1.860 -4.110 -4.206 1.00 0.00 N ATOM 532 CA GLY A 39 2.591 -5.247 -3.647 1.00 0.00 C ATOM 533 C GLY A 39 3.350 -4.882 -2.392 1.00 0.00 C ATOM 534 O GLY A 39 3.286 -5.644 -1.440 1.00 0.00 O ATOM 0 H GLY A 39 2.437 -3.288 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.891 -6.052 -3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.289 -5.629 -4.392 1.00 0.00 H new ATOM 538 N CYS A 40 3.998 -3.710 -2.354 1.00 0.00 N ATOM 539 CA CYS A 40 4.809 -3.251 -1.215 1.00 0.00 C ATOM 540 C CYS A 40 4.101 -3.491 0.115 1.00 0.00 C ATOM 541 O CYS A 40 4.625 -4.126 1.017 1.00 0.00 O ATOM 542 CB CYS A 40 5.116 -1.750 -1.358 1.00 0.00 C ATOM 543 SG CYS A 40 6.525 -1.172 -0.380 1.00 0.00 S ATOM 0 H CYS A 40 3.974 -3.043 -3.125 1.00 0.00 H new ATOM 0 HA CYS A 40 5.735 -3.826 -1.220 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.305 -1.530 -2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.232 -1.183 -1.068 1.00 0.00 H new ATOM 548 N LYS A 41 2.841 -3.050 0.190 1.00 0.00 N ATOM 549 CA LYS A 41 1.972 -3.257 1.351 1.00 0.00 C ATOM 550 C LYS A 41 1.662 -4.727 1.608 1.00 0.00 C ATOM 551 O LYS A 41 1.772 -5.163 2.743 1.00 0.00 O ATOM 552 CB LYS A 41 0.657 -2.506 1.158 1.00 0.00 C ATOM 553 CG LYS A 41 0.828 -0.993 0.984 1.00 0.00 C ATOM 554 CD LYS A 41 1.326 -0.344 2.282 1.00 0.00 C ATOM 555 CE LYS A 41 1.128 1.172 2.229 1.00 0.00 C ATOM 556 NZ LYS A 41 1.719 1.832 3.424 1.00 0.00 N ATOM 0 H LYS A 41 2.391 -2.532 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 41 2.515 -2.875 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.145 -2.907 0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.013 -2.693 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.535 -0.793 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.123 -0.547 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.786 -0.758 3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.381 -0.575 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.588 1.570 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.064 1.401 2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.570 2.859 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.262 1.467 4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.739 1.631 3.463 1.00 0.00 H new ATOM 570 N GLY A 42 1.281 -5.474 0.570 1.00 0.00 N ATOM 571 CA GLY A 42 1.022 -6.914 0.651 1.00 0.00 C ATOM 572 C GLY A 42 2.191 -7.700 1.237 1.00 0.00 C ATOM 573 O GLY A 42 1.981 -8.611 2.031 1.00 0.00 O ATOM 0 H GLY A 42 1.141 -5.090 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.135 -7.084 1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.800 -7.294 -0.346 1.00 0.00 H new ATOM 577 N LYS A 43 3.430 -7.333 0.883 1.00 0.00 N ATOM 578 CA LYS A 43 4.661 -7.922 1.432 1.00 0.00 C ATOM 579 C LYS A 43 5.035 -7.377 2.813 1.00 0.00 C ATOM 580 O LYS A 43 6.154 -7.610 3.250 1.00 0.00 O ATOM 581 CB LYS A 43 5.832 -7.750 0.450 1.00 0.00 C ATOM 582 CG LYS A 43 5.479 -8.178 -0.977 1.00 0.00 C ATOM 583 CD LYS A 43 6.743 -8.355 -1.815 1.00 0.00 C ATOM 584 CE LYS A 43 6.392 -8.529 -3.294 1.00 0.00 C ATOM 585 NZ LYS A 43 5.819 -9.870 -3.573 1.00 0.00 N ATOM 0 H LYS A 43 3.609 -6.604 0.193 1.00 0.00 H new ATOM 0 HA LYS A 43 4.455 -8.984 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.145 -6.706 0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.682 -8.335 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.918 -9.112 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.833 -7.430 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.392 -7.489 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.299 -9.224 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.678 -7.760 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.287 -8.384 -3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.595 -9.948 -4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.509 -10.603 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.951 -9.999 -3.015 1.00 0.00 H new ATOM 599 N GLY A 44 4.137 -6.648 3.475 1.00 0.00 N ATOM 600 CA GLY A 44 4.381 -6.028 4.776 1.00 0.00 C ATOM 601 C GLY A 44 5.530 -5.021 4.732 1.00 0.00 C ATOM 602 O GLY A 44 6.356 -4.963 5.638 1.00 0.00 O ATOM 0 H GLY A 44 3.200 -6.469 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.474 -5.526 5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.608 -6.803 5.509 1.00 0.00 H new ATOM 606 N GLY A 45 5.610 -4.248 3.649 1.00 0.00 N ATOM 607 CA GLY A 45 6.620 -3.215 3.488 1.00 0.00 C ATOM 608 C GLY A 45 6.204 -1.893 4.122 1.00 0.00 C ATOM 609 O GLY A 45 5.047 -1.683 4.494 1.00 0.00 O ATOM 0 H GLY A 45 4.971 -4.325 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.555 -3.552 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.813 -3.061 2.426 1.00 0.00 H new ATOM 613 N GLU A 46 7.149 -0.954 4.153 1.00 0.00 N ATOM 614 CA GLU A 46 6.958 0.383 4.709 1.00 0.00 C ATOM 615 C GLU A 46 7.556 1.480 3.816 1.00 0.00 C ATOM 616 O GLU A 46 8.569 1.312 3.132 1.00 0.00 O ATOM 617 CB GLU A 46 7.563 0.430 6.119 1.00 0.00 C ATOM 618 CG GLU A 46 7.079 1.634 6.940 1.00 0.00 C ATOM 619 CD GLU A 46 5.564 1.584 7.187 1.00 0.00 C ATOM 620 OE1 GLU A 46 5.148 0.894 8.139 1.00 0.00 O ATOM 621 OE2 GLU A 46 4.847 2.227 6.373 1.00 0.00 O ATOM 0 H GLU A 46 8.088 -1.106 3.784 1.00 0.00 H new ATOM 0 HA GLU A 46 5.888 0.583 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.310 -0.489 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.650 0.464 6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.603 1.656 7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.332 2.556 6.417 1.00 0.00 H new ATOM 628 N CYS A 47 6.954 2.665 3.860 1.00 0.00 N ATOM 629 CA CYS A 47 7.454 3.812 3.111 1.00 0.00 C ATOM 630 C CYS A 47 8.642 4.470 3.813 1.00 0.00 C ATOM 631 O CYS A 47 8.620 4.684 5.022 1.00 0.00 O ATOM 632 CB CYS A 47 6.328 4.820 2.929 1.00 0.00 C ATOM 633 SG CYS A 47 6.601 5.900 1.512 1.00 0.00 S ATOM 0 H CYS A 47 6.116 2.856 4.409 1.00 0.00 H new ATOM 0 HA CYS A 47 7.802 3.463 2.139 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.385 4.289 2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.235 5.424 3.831 1.00 0.00 H new ATOM 638 N ASN A 48 9.683 4.808 3.056 1.00 0.00 N ATOM 639 CA ASN A 48 10.888 5.447 3.565 1.00 0.00 C ATOM 640 C ASN A 48 11.301 6.640 2.684 1.00 0.00 C ATOM 641 O ASN A 48 11.068 6.653 1.474 1.00 0.00 O ATOM 642 CB ASN A 48 12.006 4.399 3.695 1.00 0.00 C ATOM 643 CG ASN A 48 11.806 3.475 4.878 1.00 0.00 C ATOM 644 OD1 ASN A 48 12.461 3.563 5.899 1.00 0.00 O ATOM 645 ND2 ASN A 48 10.867 2.573 4.798 1.00 0.00 N ATOM 0 H ASN A 48 9.710 4.641 2.050 1.00 0.00 H new ATOM 0 HA ASN A 48 10.690 5.856 4.556 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.052 3.807 2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.965 4.907 3.794 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.689 1.951 5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.311 2.490 3.947 1.00 0.00 H new ATOM 652 N PRO A 49 11.906 7.677 3.281 1.00 0.00 N ATOM 653 CA PRO A 49 12.382 8.840 2.544 1.00 0.00 C ATOM 654 C PRO A 49 13.557 8.470 1.643 1.00 0.00 C ATOM 655 O PRO A 49 14.279 7.517 1.913 1.00 0.00 O ATOM 656 CB PRO A 49 12.785 9.858 3.617 1.00 0.00 C ATOM 657 CG PRO A 49 13.103 9.007 4.843 1.00 0.00 C ATOM 658 CD PRO A 49 12.190 7.793 4.700 1.00 0.00 C ATOM 0 HA PRO A 49 11.620 9.247 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.649 10.444 3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.978 10.562 3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.153 8.716 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.904 9.549 5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.675 6.892 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.272 7.924 5.273 1.00 0.00 H new ATOM 666 N LEU A 50 13.813 9.287 0.622 1.00 0.00 N ATOM 667 CA LEU A 50 14.971 9.115 -0.268 1.00 0.00 C ATOM 668 C LEU A 50 16.324 9.229 0.450 1.00 0.00 C ATOM 669 O LEU A 50 17.330 8.809 -0.106 1.00 0.00 O ATOM 670 CB LEU A 50 14.927 10.147 -1.405 1.00 0.00 C ATOM 671 CG LEU A 50 13.594 10.256 -2.157 1.00 0.00 C ATOM 672 CD1 LEU A 50 13.728 11.219 -3.338 1.00 0.00 C ATOM 673 CD2 LEU A 50 13.128 8.896 -2.661 1.00 0.00 C ATOM 0 H LEU A 50 13.227 10.087 0.385 1.00 0.00 H new ATOM 0 HA LEU A 50 14.895 8.100 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.170 11.126 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 50 15.709 9.901 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 50 12.851 10.638 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 50 12.775 11.287 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 50 14.012 12.206 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.493 10.852 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.181 9.009 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.875 8.484 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.994 8.221 -1.816 1.00 0.00 H new ATOM 685 N ASP A 51 16.336 9.792 1.661 1.00 0.00 N ATOM 686 CA ASP A 51 17.516 9.895 2.532 1.00 0.00 C ATOM 687 C ASP A 51 17.730 8.612 3.371 1.00 0.00 C ATOM 688 O ASP A 51 18.773 8.356 3.969 1.00 0.00 O ATOM 689 CB ASP A 51 17.330 11.130 3.432 1.00 0.00 C ATOM 690 CG ASP A 51 18.657 11.770 3.860 1.00 0.00 C ATOM 691 OD1 ASP A 51 19.600 11.035 4.215 1.00 0.00 O ATOM 692 OD2 ASP A 51 18.705 13.017 3.838 1.00 0.00 O ATOM 0 H ASP A 51 15.500 10.202 2.078 1.00 0.00 H new ATOM 0 HA ASP A 51 18.413 10.005 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 51 16.731 11.871 2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.769 10.843 4.321 1.00 0.00 H new ATOM 697 N ARG A 52 16.725 7.732 3.424 1.00 0.00 N ATOM 698 CA ARG A 52 16.833 6.469 4.147 1.00 0.00 C ATOM 699 C ARG A 52 17.298 5.364 3.210 1.00 0.00 C ATOM 700 O ARG A 52 16.707 5.126 2.166 1.00 0.00 O ATOM 701 CB ARG A 52 15.491 6.140 4.774 1.00 0.00 C ATOM 702 CG ARG A 52 15.550 4.920 5.691 1.00 0.00 C ATOM 703 CD ARG A 52 16.103 5.275 7.070 1.00 0.00 C ATOM 704 NE ARG A 52 17.568 5.155 7.131 1.00 0.00 N ATOM 705 CZ ARG A 52 18.310 5.403 8.186 1.00 0.00 C ATOM 706 NH1 ARG A 52 17.776 5.794 9.309 1.00 0.00 N ATOM 707 NH2 ARG A 52 19.601 5.254 8.132 1.00 0.00 N ATOM 0 H ARG A 52 15.823 7.877 2.970 1.00 0.00 H new ATOM 0 HA ARG A 52 17.575 6.557 4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 52 15.140 7.001 5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.760 5.961 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.551 4.496 5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 52 16.175 4.152 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.813 6.295 7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 52 15.655 4.621 7.818 1.00 0.00 H new ATOM 0 HE ARG A 52 18.048 4.854 6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 52 16.765 5.912 9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.369 5.982 10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 52 20.043 4.943 7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.172 5.448 8.955 1.00 0.00 H new ATOM 721 N GLN A 53 18.312 4.631 3.653 1.00 0.00 N ATOM 722 CA GLN A 53 18.840 3.479 2.931 1.00 0.00 C ATOM 723 C GLN A 53 18.037 2.231 3.267 1.00 0.00 C ATOM 724 O GLN A 53 17.945 1.860 4.441 1.00 0.00 O ATOM 725 CB GLN A 53 20.311 3.270 3.305 1.00 0.00 C ATOM 726 CG GLN A 53 21.190 4.479 2.952 1.00 0.00 C ATOM 727 CD GLN A 53 21.445 4.583 1.457 1.00 0.00 C ATOM 728 OE1 GLN A 53 20.572 4.829 0.650 1.00 0.00 O ATOM 729 NE2 GLN A 53 22.666 4.369 1.028 1.00 0.00 N ATOM 0 H GLN A 53 18.795 4.821 4.531 1.00 0.00 H new ATOM 0 HA GLN A 53 18.762 3.665 1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 53 20.385 3.072 4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 53 20.691 2.387 2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 53 20.708 5.392 3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 53 22.142 4.400 3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 53 23.411 4.161 1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 53 22.870 4.411 0.030 1.00 0.00 H new ATOM 738 N CYS A 54 17.453 1.595 2.257 1.00 0.00 N ATOM 739 CA CYS A 54 16.712 0.349 2.401 1.00 0.00 C ATOM 740 C CYS A 54 16.551 -0.344 1.046 1.00 0.00 C ATOM 741 O CYS A 54 17.034 0.157 0.042 1.00 0.00 O ATOM 742 CB CYS A 54 15.368 0.680 3.049 1.00 0.00 C ATOM 743 SG CYS A 54 14.661 -0.627 4.050 1.00 0.00 S ATOM 0 H CYS A 54 17.483 1.939 1.297 1.00 0.00 H new ATOM 0 HA CYS A 54 17.252 -0.353 3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 54 15.491 1.566 3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.658 0.939 2.263 1.00 0.00 H new ATOM 748 N LYS A 55 15.954 -1.537 1.030 1.00 0.00 N ATOM 749 CA LYS A 55 15.650 -2.287 -0.194 1.00 0.00 C ATOM 750 C LYS A 55 14.223 -2.030 -0.671 1.00 0.00 C ATOM 751 O LYS A 55 13.271 -2.549 -0.091 1.00 0.00 O ATOM 752 CB LYS A 55 15.859 -3.779 0.068 1.00 0.00 C ATOM 753 CG LYS A 55 16.190 -4.512 -1.237 1.00 0.00 C ATOM 754 CD LYS A 55 16.043 -6.024 -1.040 1.00 0.00 C ATOM 755 CE LYS A 55 17.323 -6.622 -0.447 1.00 0.00 C ATOM 756 NZ LYS A 55 17.049 -7.911 0.233 1.00 0.00 N ATOM 0 H LYS A 55 15.663 -2.019 1.880 1.00 0.00 H new ATOM 0 HA LYS A 55 16.323 -1.950 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 55 16.668 -3.918 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.960 -4.205 0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.525 -4.174 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.207 -4.275 -1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.200 -6.229 -0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.822 -6.500 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 55 18.057 -6.774 -1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.761 -5.920 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.934 -8.292 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.367 -7.759 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.654 -8.587 -0.451 1.00 0.00 H new ATOM 770 N GLU A 56 14.081 -1.295 -1.762 1.00 0.00 N ATOM 771 CA GLU A 56 12.800 -0.913 -2.347 1.00 0.00 C ATOM 772 C GLU A 56 12.717 -1.335 -3.808 1.00 0.00 C ATOM 773 O GLU A 56 13.626 -1.118 -4.612 1.00 0.00 O ATOM 774 CB GLU A 56 12.552 0.593 -2.182 1.00 0.00 C ATOM 775 CG GLU A 56 13.600 1.506 -2.803 1.00 0.00 C ATOM 776 CD GLU A 56 14.907 1.479 -2.014 1.00 0.00 C ATOM 777 OE1 GLU A 56 14.930 2.140 -0.951 1.00 0.00 O ATOM 778 OE2 GLU A 56 15.845 0.822 -2.512 1.00 0.00 O ATOM 0 H GLU A 56 14.879 -0.934 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 56 12.011 -1.440 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.583 0.833 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.486 0.817 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.789 1.198 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.218 2.526 -2.841 1.00 0.00 H new ATOM 785 N LEU A 57 11.610 -1.967 -4.181 1.00 0.00 N ATOM 786 CA LEU A 57 11.408 -2.346 -5.570 1.00 0.00 C ATOM 787 C LEU A 57 10.985 -1.118 -6.381 1.00 0.00 C ATOM 788 O LEU A 57 10.116 -0.356 -5.976 1.00 0.00 O ATOM 789 CB LEU A 57 10.413 -3.517 -5.613 1.00 0.00 C ATOM 790 CG LEU A 57 9.856 -3.857 -7.001 1.00 0.00 C ATOM 791 CD1 LEU A 57 10.963 -4.072 -8.042 1.00 0.00 C ATOM 792 CD2 LEU A 57 8.934 -5.075 -6.978 1.00 0.00 C ATOM 0 H LEU A 57 10.851 -2.224 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 57 12.328 -2.699 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.903 -4.403 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.578 -3.286 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 57 9.271 -2.986 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.514 -4.310 -9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.558 -3.163 -8.133 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.604 -4.896 -7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.567 -5.273 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.486 -5.942 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.090 -4.880 -6.316 1.00 0.00 H new ATOM 804 N GLN A 58 11.531 -0.950 -7.582 1.00 0.00 N ATOM 805 CA GLN A 58 11.116 0.101 -8.521 1.00 0.00 C ATOM 806 C GLN A 58 9.606 0.109 -8.804 1.00 0.00 C ATOM 807 O GLN A 58 8.996 1.165 -8.881 1.00 0.00 O ATOM 808 CB GLN A 58 11.879 -0.038 -9.848 1.00 0.00 C ATOM 809 CG GLN A 58 11.807 -1.453 -10.450 1.00 0.00 C ATOM 810 CD GLN A 58 12.339 -1.507 -11.861 1.00 0.00 C ATOM 811 OE1 GLN A 58 11.605 -1.558 -12.828 1.00 0.00 O ATOM 812 NE2 GLN A 58 13.640 -1.512 -12.018 1.00 0.00 N ATOM 0 H GLN A 58 12.281 -1.542 -7.939 1.00 0.00 H new ATOM 0 HA GLN A 58 11.357 1.048 -8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.476 0.675 -10.567 1.00 0.00 H new ATOM 0 HB3 GLN A 58 12.924 0.228 -9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.376 -2.140 -9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.772 -1.796 -10.442 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.252 -1.469 -11.203 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.040 -1.559 -12.955 1.00 0.00 H new ATOM 821 N ALA A 59 8.995 -1.065 -8.944 1.00 0.00 N ATOM 822 CA ALA A 59 7.558 -1.215 -9.143 1.00 0.00 C ATOM 823 C ALA A 59 6.762 -0.846 -7.875 1.00 0.00 C ATOM 824 O ALA A 59 5.593 -0.484 -7.943 1.00 0.00 O ATOM 825 CB ALA A 59 7.270 -2.661 -9.578 1.00 0.00 C ATOM 0 H ALA A 59 9.495 -1.954 -8.922 1.00 0.00 H new ATOM 0 HA ALA A 59 7.233 -0.525 -9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.198 -2.788 -9.731 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.797 -2.873 -10.508 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.610 -3.349 -8.804 1.00 0.00 H new ATOM 831 N GLU A 60 7.395 -0.936 -6.704 1.00 0.00 N ATOM 832 CA GLU A 60 6.809 -0.569 -5.417 1.00 0.00 C ATOM 833 C GLU A 60 7.031 0.902 -5.069 1.00 0.00 C ATOM 834 O GLU A 60 6.159 1.492 -4.434 1.00 0.00 O ATOM 835 CB GLU A 60 7.415 -1.424 -4.302 1.00 0.00 C ATOM 836 CG GLU A 60 6.839 -2.846 -4.299 1.00 0.00 C ATOM 837 CD GLU A 60 7.582 -3.797 -3.345 1.00 0.00 C ATOM 838 OE1 GLU A 60 7.846 -3.386 -2.201 1.00 0.00 O ATOM 839 OE2 GLU A 60 7.848 -4.950 -3.752 1.00 0.00 O ATOM 0 H GLU A 60 8.354 -1.275 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 60 5.736 -0.743 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.497 -1.470 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.225 -0.952 -3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.787 -2.805 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.880 -3.250 -5.310 1.00 0.00 H new ATOM 846 N SER A 61 8.138 1.518 -5.504 1.00 0.00 N ATOM 847 CA SER A 61 8.447 2.938 -5.290 1.00 0.00 C ATOM 848 C SER A 61 7.316 3.850 -5.770 1.00 0.00 C ATOM 849 O SER A 61 7.089 4.911 -5.184 1.00 0.00 O ATOM 850 CB SER A 61 9.763 3.332 -5.977 1.00 0.00 C ATOM 851 OG SER A 61 9.588 3.448 -7.369 1.00 0.00 O ATOM 0 H SER A 61 8.863 1.029 -6.029 1.00 0.00 H new ATOM 0 HA SER A 61 8.557 3.073 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.120 4.278 -5.571 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.527 2.585 -5.764 1.00 0.00 H new ATOM 0 HG SER A 61 9.374 2.569 -7.746 1.00 0.00 H new ATOM 857 N ALA A 62 6.550 3.390 -6.769 1.00 0.00 N ATOM 858 CA ALA A 62 5.389 4.089 -7.305 1.00 0.00 C ATOM 859 C ALA A 62 4.266 4.234 -6.269 1.00 0.00 C ATOM 860 O ALA A 62 3.578 5.246 -6.263 1.00 0.00 O ATOM 861 CB ALA A 62 4.871 3.342 -8.542 1.00 0.00 C ATOM 0 H ALA A 62 6.730 2.500 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 62 5.704 5.096 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.002 3.863 -8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.655 3.304 -9.299 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.588 2.327 -8.262 1.00 0.00 H new ATOM 867 N SER A 63 4.136 3.249 -5.368 1.00 0.00 N ATOM 868 CA SER A 63 3.144 3.227 -4.286 1.00 0.00 C ATOM 869 C SER A 63 3.267 4.460 -3.396 1.00 0.00 C ATOM 870 O SER A 63 2.294 5.178 -3.202 1.00 0.00 O ATOM 871 CB SER A 63 3.290 1.982 -3.399 1.00 0.00 C ATOM 872 OG SER A 63 3.228 0.778 -4.140 1.00 0.00 O ATOM 0 H SER A 63 4.735 2.424 -5.373 1.00 0.00 H new ATOM 0 HA SER A 63 2.168 3.213 -4.772 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.240 2.029 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.502 1.982 -2.646 1.00 0.00 H new ATOM 0 HG SER A 63 4.116 0.569 -4.499 1.00 0.00 H new ATOM 878 N CYS A 64 4.455 4.686 -2.820 1.00 0.00 N ATOM 879 CA CYS A 64 4.719 5.873 -2.003 1.00 0.00 C ATOM 880 C CYS A 64 4.537 7.170 -2.795 1.00 0.00 C ATOM 881 O CYS A 64 3.957 8.127 -2.292 1.00 0.00 O ATOM 882 CB CYS A 64 6.137 5.794 -1.443 1.00 0.00 C ATOM 883 SG CYS A 64 6.323 4.645 -0.070 1.00 0.00 S ATOM 0 H CYS A 64 5.252 4.056 -2.907 1.00 0.00 H new ATOM 0 HA CYS A 64 3.995 5.890 -1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 64 6.816 5.500 -2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 64 6.442 6.788 -1.115 1.00 0.00 H new ATOM 888 N GLY A 65 5.051 7.196 -4.025 1.00 0.00 N ATOM 889 CA GLY A 65 4.963 8.351 -4.905 1.00 0.00 C ATOM 890 C GLY A 65 6.317 9.012 -5.127 1.00 0.00 C ATOM 891 O GLY A 65 7.330 8.695 -4.496 1.00 0.00 O ATOM 0 H GLY A 65 5.545 6.405 -4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.550 8.043 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.272 9.078 -4.479 1.00 0.00 H new ATOM 895 N LYS A 66 6.346 9.970 -6.055 1.00 0.00 N ATOM 896 CA LYS A 66 7.563 10.727 -6.371 1.00 0.00 C ATOM 897 C LYS A 66 8.120 11.405 -5.119 1.00 0.00 C ATOM 898 O LYS A 66 7.392 12.049 -4.371 1.00 0.00 O ATOM 899 CB LYS A 66 7.287 11.732 -7.496 1.00 0.00 C ATOM 900 CG LYS A 66 6.461 12.943 -7.023 1.00 0.00 C ATOM 901 CD LYS A 66 6.002 13.806 -8.196 1.00 0.00 C ATOM 902 CE LYS A 66 7.141 14.681 -8.735 1.00 0.00 C ATOM 903 NZ LYS A 66 7.419 15.836 -7.838 1.00 0.00 N ATOM 0 H LYS A 66 5.533 10.243 -6.607 1.00 0.00 H new ATOM 0 HA LYS A 66 8.327 10.036 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.235 12.082 -7.906 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.756 11.229 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.592 12.595 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.058 13.546 -6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.626 13.166 -8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.174 14.440 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.043 14.079 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.881 15.046 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.122 16.460 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.540 16.367 -7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.789 15.489 -6.930 1.00 0.00 H new ATOM 917 N GLY A 67 9.432 11.317 -4.930 1.00 0.00 N ATOM 918 CA GLY A 67 10.075 11.914 -3.755 1.00 0.00 C ATOM 919 C GLY A 67 10.084 11.005 -2.527 1.00 0.00 C ATOM 920 O GLY A 67 10.443 11.462 -1.449 1.00 0.00 O ATOM 0 H GLY A 67 10.071 10.843 -5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.102 12.176 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.562 12.842 -3.504 1.00 0.00 H new ATOM 924 N GLN A 68 9.713 9.734 -2.681 1.00 0.00 N ATOM 925 CA GLN A 68 9.707 8.731 -1.623 1.00 0.00 C ATOM 926 C GLN A 68 10.094 7.354 -2.176 1.00 0.00 C ATOM 927 O GLN A 68 10.201 7.155 -3.388 1.00 0.00 O ATOM 928 CB GLN A 68 8.315 8.701 -0.972 1.00 0.00 C ATOM 929 CG GLN A 68 8.056 9.926 -0.084 1.00 0.00 C ATOM 930 CD GLN A 68 7.071 9.613 1.029 1.00 0.00 C ATOM 931 OE1 GLN A 68 5.885 9.432 0.838 1.00 0.00 O ATOM 932 NE2 GLN A 68 7.555 9.521 2.249 1.00 0.00 N ATOM 0 H GLN A 68 9.398 9.364 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 68 10.447 8.993 -0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.554 8.653 -1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.216 7.795 -0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.997 10.268 0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.669 10.743 -0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.550 9.672 2.416 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.935 9.299 3.028 1.00 0.00 H new ATOM 941 N LYS A 69 10.344 6.404 -1.274 1.00 0.00 N ATOM 942 CA LYS A 69 10.705 5.015 -1.576 1.00 0.00 C ATOM 943 C LYS A 69 9.864 4.046 -0.758 1.00 0.00 C ATOM 944 O LYS A 69 9.377 4.398 0.308 1.00 0.00 O ATOM 945 CB LYS A 69 12.197 4.801 -1.281 1.00 0.00 C ATOM 946 CG LYS A 69 13.064 5.227 -2.471 1.00 0.00 C ATOM 947 CD LYS A 69 14.547 4.943 -2.193 1.00 0.00 C ATOM 948 CE LYS A 69 15.496 5.867 -2.936 1.00 0.00 C ATOM 949 NZ LYS A 69 15.431 5.623 -4.397 1.00 0.00 N ATOM 0 H LYS A 69 10.299 6.587 -0.272 1.00 0.00 H new ATOM 0 HA LYS A 69 10.510 4.822 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.481 5.373 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.378 3.751 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.748 4.692 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.923 6.290 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.730 5.033 -1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.768 3.912 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.240 6.905 -2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.515 5.711 -2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.087 6.265 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.697 4.638 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.463 5.795 -4.735 1.00 0.00 H new ATOM 963 N CYS A 70 9.729 2.817 -1.245 1.00 0.00 N ATOM 964 CA CYS A 70 8.934 1.776 -0.588 1.00 0.00 C ATOM 965 C CYS A 70 9.782 0.550 -0.253 1.00 0.00 C ATOM 966 O CYS A 70 10.004 -0.286 -1.124 1.00 0.00 O ATOM 967 CB CYS A 70 7.739 1.410 -1.472 1.00 0.00 C ATOM 968 SG CYS A 70 6.330 0.845 -0.491 1.00 0.00 S ATOM 0 H CYS A 70 10.169 2.509 -2.112 1.00 0.00 H new ATOM 0 HA CYS A 70 8.562 2.165 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 70 7.446 2.277 -2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.031 0.628 -2.173 1.00 0.00 H new ATOM 973 N CYS A 71 10.296 0.472 0.974 1.00 0.00 N ATOM 974 CA CYS A 71 11.081 -0.681 1.401 1.00 0.00 C ATOM 975 C CYS A 71 10.196 -1.833 1.880 1.00 0.00 C ATOM 976 O CYS A 71 9.033 -1.634 2.220 1.00 0.00 O ATOM 977 CB CYS A 71 12.086 -0.244 2.468 1.00 0.00 C ATOM 978 SG CYS A 71 13.297 -1.532 2.882 1.00 0.00 S ATOM 0 H CYS A 71 10.182 1.193 1.687 1.00 0.00 H new ATOM 0 HA CYS A 71 11.631 -1.067 0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.614 0.643 2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.546 0.042 3.371 1.00 0.00 H new ATOM 983 N VAL A 72 10.759 -3.035 1.960 1.00 0.00 N ATOM 984 CA VAL A 72 10.105 -4.225 2.507 1.00 0.00 C ATOM 985 C VAL A 72 10.811 -4.712 3.770 1.00 0.00 C ATOM 986 O VAL A 72 12.042 -4.695 3.857 1.00 0.00 O ATOM 987 CB VAL A 72 10.005 -5.319 1.434 1.00 0.00 C ATOM 988 CG1 VAL A 72 11.377 -5.916 1.098 1.00 0.00 C ATOM 989 CG2 VAL A 72 9.024 -6.422 1.842 1.00 0.00 C ATOM 0 H VAL A 72 11.710 -3.216 1.638 1.00 0.00 H new ATOM 0 HA VAL A 72 9.089 -3.962 2.802 1.00 0.00 H new ATOM 0 HB VAL A 72 9.620 -4.840 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.262 -6.686 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.034 -5.131 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.812 -6.357 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.980 -7.178 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.360 -6.882 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.033 -5.992 1.987 1.00 0.00 H new ATOM 999 N TRP A 73 10.027 -5.226 4.716 1.00 0.00 N ATOM 1000 CA TRP A 73 10.520 -5.865 5.927 1.00 0.00 C ATOM 1001 C TRP A 73 10.219 -7.357 5.965 1.00 0.00 C ATOM 1002 O TRP A 73 9.702 -7.947 5.018 1.00 0.00 O ATOM 1003 CB TRP A 73 9.991 -5.099 7.145 1.00 0.00 C ATOM 1004 CG TRP A 73 10.397 -3.664 7.165 1.00 0.00 C ATOM 1005 CD1 TRP A 73 9.562 -2.608 7.279 1.00 0.00 C ATOM 1006 CD2 TRP A 73 11.743 -3.114 7.044 1.00 0.00 C ATOM 1007 NE1 TRP A 73 10.302 -1.440 7.248 1.00 0.00 N ATOM 1008 CE2 TRP A 73 11.648 -1.694 7.102 1.00 0.00 C ATOM 1009 CE3 TRP A 73 13.034 -3.672 6.888 1.00 0.00 C ATOM 1010 CZ2 TRP A 73 12.777 -0.869 7.032 1.00 0.00 C ATOM 1011 CZ3 TRP A 73 14.174 -2.856 6.812 1.00 0.00 C ATOM 1012 CH2 TRP A 73 14.047 -1.461 6.915 1.00 0.00 C ATOM 0 H TRP A 73 9.009 -5.208 4.657 1.00 0.00 H new ATOM 0 HA TRP A 73 11.609 -5.814 5.943 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.903 -5.161 7.159 1.00 0.00 H new ATOM 0 HB3 TRP A 73 10.350 -5.583 8.053 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.488 -2.667 7.378 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.900 -0.505 7.324 1.00 0.00 H new ATOM 0 HE3 TRP A 73 13.144 -4.745 6.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 12.674 0.205 7.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.148 -3.301 6.674 1.00 0.00 H new ATOM 0 HH2 TRP A 73 14.930 -0.839 6.904 1.00 0.00 H new ATOM 1023 N LEU A 74 10.679 -8.001 7.036 1.00 0.00 N ATOM 1024 CA LEU A 74 10.359 -9.394 7.301 1.00 0.00 C ATOM 1025 C LEU A 74 8.843 -9.563 7.461 1.00 0.00 C ATOM 1026 O LEU A 74 8.118 -8.586 7.606 1.00 0.00 O ATOM 1027 CB LEU A 74 11.147 -9.886 8.540 1.00 0.00 C ATOM 1028 CG LEU A 74 12.551 -10.431 8.222 1.00 0.00 C ATOM 1029 CD1 LEU A 74 12.478 -11.578 7.204 1.00 0.00 C ATOM 1030 CD2 LEU A 74 13.536 -9.350 7.751 1.00 0.00 C ATOM 0 H LEU A 74 11.281 -7.571 7.738 1.00 0.00 H new ATOM 0 HA LEU A 74 10.662 -10.014 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 74 11.241 -9.062 9.247 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.571 -10.667 9.036 1.00 0.00 H new ATOM 0 HG LEU A 74 12.944 -10.814 9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 74 13.483 -11.945 6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.873 -12.388 7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.026 -11.216 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.505 -9.805 7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 74 13.155 -8.881 6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.648 -8.596 8.530 1.00 0.00 H new ATOM 1042 N HIS A 75 8.405 -10.823 7.446 1.00 0.00 N ATOM 1043 CA HIS A 75 7.015 -11.216 7.693 1.00 0.00 C ATOM 1044 C HIS A 75 6.315 -10.462 8.842 1.00 0.00 C ATOM 1045 O HIS A 75 5.068 -10.525 8.824 1.00 0.00 O ATOM 1046 CB HIS A 75 6.946 -12.720 7.999 1.00 0.00 C ATOM 1047 CG HIS A 75 7.542 -13.098 9.337 1.00 0.00 C ATOM 1048 ND1 HIS A 75 6.808 -13.313 10.483 1.00 0.00 N ATOM 1049 CD2 HIS A 75 8.868 -13.202 9.653 1.00 0.00 C ATOM 1050 CE1 HIS A 75 7.673 -13.579 11.483 1.00 0.00 C ATOM 1051 NE2 HIS A 75 8.935 -13.514 11.002 1.00 0.00 N ATOM 1052 OXT HIS A 75 7.002 -10.156 9.844 1.00 0.00 O ATOM 0 H HIS A 75 9.019 -11.616 7.258 1.00 0.00 H new ATOM 0 HA HIS A 75 6.484 -10.954 6.778 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.904 -13.039 7.972 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.467 -13.266 7.212 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.703 -13.067 8.981 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.402 -13.807 12.503 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.789 -13.668 11.539 1.00 0.00 H new TER 1061 HIS A 75