USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 433 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 63 ZNZN :(H bumps) USER MOD Set 1.1: A 29 SER OG : rot 140:sc= 1.72 USER MOD Set 1.2: A 31 TYR OH : rot 128:sc= 1.12 USER MOD Set 2.1: A 1 GLY N :NH3+ -161:sc= 0.353 (180deg=0) USER MOD Set 2.2: A 7 HIS : no HD1:sc= 0.283 K(o=1.3,f=0.53) USER MOD Set 2.3: A 23 CYS SG : rot -53:sc= 0.689 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -4.48! C(o=-4.5!,f=-11!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 103:sc= 0.974 USER MOD Single : A 30 SER OG : rot 75:sc= -1.64 USER MOD Single : A 34 HIS : no HD1:sc= -2.6! K(o=-2.6!,f=0.78) USER MOD Single : A 37 ASN : amide:sc= -0.638 K(o=-0.64,f=-0.015) USER MOD Single : A 45 ASN : amide:sc= -0.0397 K(o=-0.04,f=-2.3) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 32:sc= 1.23 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.604 0.388 4.442 1.00 0.00 N ATOM 2 CA GLY A 1 -11.816 0.386 5.911 1.00 0.00 C ATOM 3 C GLY A 1 -12.204 1.755 6.425 1.00 0.00 C ATOM 4 O GLY A 1 -11.362 2.650 6.497 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.660 -0.586 4.082 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.337 0.968 3.986 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.666 0.784 4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.596 -0.332 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.905 0.056 6.409 1.00 0.00 H new ATOM 10 N PRO A 2 -13.491 1.973 6.721 1.00 0.00 N ATOM 11 CA PRO A 2 -13.989 3.271 7.171 1.00 0.00 C ATOM 12 C PRO A 2 -13.529 3.606 8.585 1.00 0.00 C ATOM 13 O PRO A 2 -13.897 2.930 9.551 1.00 0.00 O ATOM 14 CB PRO A 2 -15.518 3.117 7.126 1.00 0.00 C ATOM 15 CG PRO A 2 -15.768 1.873 6.346 1.00 0.00 C ATOM 16 CD PRO A 2 -14.575 0.996 6.583 1.00 0.00 C ATOM 0 HA PRO A 2 -13.617 4.083 6.547 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -15.935 3.041 8.130 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.986 3.979 6.651 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -16.685 1.383 6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.887 2.094 5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.690 0.387 7.480 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.402 0.311 5.753 1.00 0.00 H new ATOM 24 N LEU A 3 -12.752 4.669 8.700 1.00 0.00 N ATOM 25 CA LEU A 3 -12.267 5.140 9.988 1.00 0.00 C ATOM 26 C LEU A 3 -13.165 6.266 10.500 1.00 0.00 C ATOM 27 O LEU A 3 -14.288 6.430 10.017 1.00 0.00 O ATOM 28 CB LEU A 3 -10.815 5.625 9.869 1.00 0.00 C ATOM 29 CG LEU A 3 -9.862 4.690 9.117 1.00 0.00 C ATOM 30 CD1 LEU A 3 -8.443 5.227 9.183 1.00 0.00 C ATOM 31 CD2 LEU A 3 -9.919 3.280 9.683 1.00 0.00 C ATOM 0 H LEU A 3 -12.440 5.229 7.907 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.295 4.315 10.699 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.815 6.593 9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.421 5.785 10.873 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.178 4.648 8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.774 4.555 8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.407 6.216 8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.128 5.296 10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.233 2.638 9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.632 3.298 10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.933 2.892 9.591 1.00 0.00 H new ATOM 43 N GLY A 4 -12.676 7.040 11.465 1.00 0.00 N ATOM 44 CA GLY A 4 -13.454 8.142 12.003 1.00 0.00 C ATOM 45 C GLY A 4 -13.751 9.204 10.959 1.00 0.00 C ATOM 46 O GLY A 4 -14.869 9.720 10.885 1.00 0.00 O ATOM 0 H GLY A 4 -11.754 6.923 11.884 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.392 7.759 12.405 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.912 8.594 12.834 1.00 0.00 H new ATOM 50 N SER A 5 -12.768 9.489 10.115 1.00 0.00 N ATOM 51 CA SER A 5 -12.943 10.446 9.035 1.00 0.00 C ATOM 52 C SER A 5 -13.557 9.761 7.813 1.00 0.00 C ATOM 53 O SER A 5 -14.769 9.834 7.600 1.00 0.00 O ATOM 54 CB SER A 5 -11.602 11.091 8.683 1.00 0.00 C ATOM 55 OG SER A 5 -10.778 11.198 9.833 1.00 0.00 O ATOM 0 H SER A 5 -11.840 9.069 10.159 1.00 0.00 H new ATOM 0 HA SER A 5 -13.626 11.230 9.363 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.096 10.497 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.770 12.080 8.257 1.00 0.00 H new ATOM 0 HG SER A 5 -9.924 11.611 9.586 1.00 0.00 H new ATOM 61 N ASP A 6 -12.746 9.011 7.076 1.00 0.00 N ATOM 62 CA ASP A 6 -13.244 8.241 5.944 1.00 0.00 C ATOM 63 C ASP A 6 -12.397 6.998 5.723 1.00 0.00 C ATOM 64 O ASP A 6 -12.652 5.954 6.316 1.00 0.00 O ATOM 65 CB ASP A 6 -13.269 9.081 4.667 1.00 0.00 C ATOM 66 CG ASP A 6 -14.343 8.616 3.700 1.00 0.00 C ATOM 67 OD1 ASP A 6 -14.874 7.502 3.885 1.00 0.00 O ATOM 68 OD2 ASP A 6 -14.661 9.365 2.750 1.00 0.00 O ATOM 0 H ASP A 6 -11.744 8.920 7.242 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.265 7.940 6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.441 10.126 4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.295 9.029 4.180 1.00 0.00 H new ATOM 73 N HIS A 7 -11.380 7.115 4.885 1.00 0.00 N ATOM 74 CA HIS A 7 -10.512 5.988 4.591 1.00 0.00 C ATOM 75 C HIS A 7 -9.047 6.373 4.724 1.00 0.00 C ATOM 76 O HIS A 7 -8.440 6.875 3.775 1.00 0.00 O ATOM 77 CB HIS A 7 -10.786 5.452 3.184 1.00 0.00 C ATOM 78 CG HIS A 7 -10.208 4.090 2.934 1.00 0.00 C ATOM 79 ND1 HIS A 7 -10.100 3.576 1.666 1.00 0.00 N ATOM 80 CD2 HIS A 7 -9.717 3.189 3.817 1.00 0.00 C ATOM 81 CE1 HIS A 7 -9.550 2.383 1.803 1.00 0.00 C ATOM 82 NE2 HIS A 7 -9.300 2.102 3.090 1.00 0.00 N ATOM 0 H HIS A 7 -11.136 7.977 4.398 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.728 5.205 5.318 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.863 5.415 3.022 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.378 6.150 2.453 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.664 3.304 4.890 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.329 1.717 0.982 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.882 1.247 3.457 1.00 0.00 H new ATOM 90 N HIS A 8 -8.471 6.023 5.865 1.00 0.00 N ATOM 91 CA HIS A 8 -7.041 6.191 6.111 1.00 0.00 C ATOM 92 C HIS A 8 -6.603 7.640 5.910 1.00 0.00 C ATOM 93 O HIS A 8 -7.216 8.556 6.458 1.00 0.00 O ATOM 94 CB HIS A 8 -6.237 5.245 5.210 1.00 0.00 C ATOM 95 CG HIS A 8 -6.445 3.792 5.517 1.00 0.00 C ATOM 96 ND1 HIS A 8 -7.418 3.367 6.389 1.00 0.00 N ATOM 97 CD2 HIS A 8 -5.779 2.716 5.049 1.00 0.00 C ATOM 98 CE1 HIS A 8 -7.320 2.051 6.429 1.00 0.00 C ATOM 99 NE2 HIS A 8 -6.340 1.610 5.632 1.00 0.00 N ATOM 0 H HIS A 8 -8.980 5.614 6.649 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.844 5.936 7.152 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.509 5.430 4.171 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.177 5.479 5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.958 2.725 4.347 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.951 1.412 7.029 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.064 0.639 5.487 1.00 0.00 H new ATOM 107 N MET A 9 -5.548 7.844 5.131 1.00 0.00 N ATOM 108 CA MET A 9 -5.046 9.182 4.864 1.00 0.00 C ATOM 109 C MET A 9 -5.540 9.681 3.514 1.00 0.00 C ATOM 110 O MET A 9 -5.789 8.891 2.601 1.00 0.00 O ATOM 111 CB MET A 9 -3.515 9.200 4.896 1.00 0.00 C ATOM 112 CG MET A 9 -2.935 9.460 6.275 1.00 0.00 C ATOM 113 SD MET A 9 -1.581 8.336 6.681 1.00 0.00 S ATOM 114 CE MET A 9 -1.322 8.735 8.407 1.00 0.00 C ATOM 0 H MET A 9 -5.024 7.098 4.674 1.00 0.00 H new ATOM 0 HA MET A 9 -5.422 9.845 5.643 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.142 8.244 4.529 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.155 9.967 4.210 1.00 0.00 H new ATOM 0 HG2 MET A 9 -2.577 10.488 6.327 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.723 9.359 7.022 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.513 8.122 8.805 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.059 9.788 8.501 1.00 0.00 H new ATOM 0 HE3 MET A 9 -2.236 8.538 8.967 1.00 0.00 H new ATOM 124 N GLU A 10 -5.653 10.996 3.385 1.00 0.00 N ATOM 125 CA GLU A 10 -6.088 11.613 2.140 1.00 0.00 C ATOM 126 C GLU A 10 -4.894 11.841 1.221 1.00 0.00 C ATOM 127 O GLU A 10 -5.028 12.373 0.118 1.00 0.00 O ATOM 128 CB GLU A 10 -6.801 12.936 2.421 1.00 0.00 C ATOM 129 CG GLU A 10 -8.260 12.772 2.813 1.00 0.00 C ATOM 130 CD GLU A 10 -8.941 14.097 3.079 1.00 0.00 C ATOM 131 OE1 GLU A 10 -8.929 14.972 2.185 1.00 0.00 O ATOM 132 OE2 GLU A 10 -9.493 14.278 4.183 1.00 0.00 O ATOM 0 H GLU A 10 -5.448 11.659 4.132 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.788 10.941 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.276 13.459 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.741 13.567 1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.790 12.248 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.325 12.148 3.704 1.00 0.00 H new ATOM 139 N PHE A 11 -3.734 11.394 1.676 1.00 0.00 N ATOM 140 CA PHE A 11 -2.510 11.477 0.903 1.00 0.00 C ATOM 141 C PHE A 11 -1.588 10.346 1.315 1.00 0.00 C ATOM 142 O PHE A 11 -1.901 9.578 2.221 1.00 0.00 O ATOM 143 CB PHE A 11 -1.795 12.820 1.124 1.00 0.00 C ATOM 144 CG PHE A 11 -1.842 13.311 2.544 1.00 0.00 C ATOM 145 CD1 PHE A 11 -0.967 12.803 3.493 1.00 0.00 C ATOM 146 CD2 PHE A 11 -2.756 14.277 2.932 1.00 0.00 C ATOM 147 CE1 PHE A 11 -1.005 13.249 4.799 1.00 0.00 C ATOM 148 CE2 PHE A 11 -2.799 14.725 4.237 1.00 0.00 C ATOM 149 CZ PHE A 11 -1.922 14.210 5.172 1.00 0.00 C ATOM 0 H PHE A 11 -3.617 10.963 2.593 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.765 11.399 -0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.753 12.720 0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.246 13.571 0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.248 12.050 3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.443 14.684 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.318 12.846 5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.518 15.477 4.527 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.954 14.559 6.193 1.00 0.00 H new ATOM 159 N CYS A 12 -0.415 10.309 0.722 1.00 0.00 N ATOM 160 CA CYS A 12 0.590 9.346 1.110 1.00 0.00 C ATOM 161 C CYS A 12 1.239 9.768 2.407 1.00 0.00 C ATOM 162 O CYS A 12 1.690 10.906 2.539 1.00 0.00 O ATOM 163 CB CYS A 12 1.655 9.251 0.039 1.00 0.00 C ATOM 164 SG CYS A 12 2.259 7.591 -0.291 1.00 0.00 S ATOM 0 H CYS A 12 -0.134 10.936 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 12 0.109 8.376 1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.256 9.666 -0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.499 9.876 0.331 1.00 0.00 H new ATOM 170 N ARG A 13 1.376 8.825 3.315 1.00 0.00 N ATOM 171 CA ARG A 13 2.059 9.072 4.570 1.00 0.00 C ATOM 172 C ARG A 13 3.543 9.347 4.319 1.00 0.00 C ATOM 173 O ARG A 13 4.233 9.924 5.157 1.00 0.00 O ATOM 174 CB ARG A 13 1.889 7.864 5.488 1.00 0.00 C ATOM 175 CG ARG A 13 2.412 8.078 6.896 1.00 0.00 C ATOM 176 CD ARG A 13 3.285 6.918 7.333 1.00 0.00 C ATOM 177 NE ARG A 13 2.494 5.736 7.669 1.00 0.00 N ATOM 178 CZ ARG A 13 2.929 4.757 8.462 1.00 0.00 C ATOM 179 NH1 ARG A 13 4.192 4.743 8.869 1.00 0.00 N ATOM 180 NH2 ARG A 13 2.112 3.779 8.822 1.00 0.00 N ATOM 0 H ARG A 13 1.022 7.875 3.208 1.00 0.00 H new ATOM 0 HA ARG A 13 1.624 9.949 5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.831 7.607 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.403 7.010 5.047 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.984 9.005 6.938 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.575 8.188 7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.986 6.671 6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.878 7.216 8.198 1.00 0.00 H new ATOM 0 HE ARG A 13 1.557 5.656 7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.831 5.482 8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.524 3.993 9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.147 3.773 8.492 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.448 3.031 9.429 1.00 0.00 H new ATOM 194 N VAL A 14 4.032 8.907 3.166 1.00 0.00 N ATOM 195 CA VAL A 14 5.439 9.061 2.827 1.00 0.00 C ATOM 196 C VAL A 14 5.665 10.193 1.820 1.00 0.00 C ATOM 197 O VAL A 14 6.374 11.151 2.116 1.00 0.00 O ATOM 198 CB VAL A 14 6.019 7.740 2.281 1.00 0.00 C ATOM 199 CG1 VAL A 14 7.457 7.918 1.810 1.00 0.00 C ATOM 200 CG2 VAL A 14 5.938 6.662 3.347 1.00 0.00 C ATOM 0 H VAL A 14 3.474 8.441 2.451 1.00 0.00 H new ATOM 0 HA VAL A 14 5.962 9.325 3.746 1.00 0.00 H new ATOM 0 HB VAL A 14 5.425 7.436 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.836 6.969 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.490 8.665 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.075 8.248 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.349 5.732 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.510 6.972 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.897 6.508 3.630 1.00 0.00 H new ATOM 210 N CYS A 15 5.159 10.027 0.600 1.00 0.00 N ATOM 211 CA CYS A 15 5.455 10.974 -0.472 1.00 0.00 C ATOM 212 C CYS A 15 4.465 12.140 -0.512 1.00 0.00 C ATOM 213 O CYS A 15 4.614 13.053 -1.329 1.00 0.00 O ATOM 214 CB CYS A 15 5.478 10.247 -1.822 1.00 0.00 C ATOM 215 SG CYS A 15 3.840 9.957 -2.572 1.00 0.00 S ATOM 0 H CYS A 15 4.549 9.255 0.331 1.00 0.00 H new ATOM 0 HA CYS A 15 6.438 11.398 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.082 10.827 -2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.976 9.286 -1.691 1.00 0.00 H new ATOM 220 N LYS A 16 3.467 12.102 0.372 1.00 0.00 N ATOM 221 CA LYS A 16 2.444 13.145 0.466 1.00 0.00 C ATOM 222 C LYS A 16 1.528 13.173 -0.763 1.00 0.00 C ATOM 223 O LYS A 16 0.602 13.979 -0.823 1.00 0.00 O ATOM 224 CB LYS A 16 3.079 14.523 0.684 1.00 0.00 C ATOM 225 CG LYS A 16 3.554 14.756 2.109 1.00 0.00 C ATOM 226 CD LYS A 16 2.431 14.557 3.115 1.00 0.00 C ATOM 227 CE LYS A 16 2.411 15.664 4.157 1.00 0.00 C ATOM 228 NZ LYS A 16 2.646 15.138 5.528 1.00 0.00 N ATOM 0 H LYS A 16 3.345 11.345 1.045 1.00 0.00 H new ATOM 0 HA LYS A 16 1.828 12.900 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.924 14.636 0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.354 15.293 0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.372 14.072 2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.949 15.768 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.474 14.530 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.551 13.593 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.175 16.404 3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.449 16.176 4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.625 15.923 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.903 14.451 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.575 14.671 5.566 1.00 0.00 H new ATOM 242 N ASP A 17 1.757 12.285 -1.724 1.00 0.00 N ATOM 243 CA ASP A 17 0.923 12.240 -2.920 1.00 0.00 C ATOM 244 C ASP A 17 -0.131 11.153 -2.814 1.00 0.00 C ATOM 245 O ASP A 17 0.153 10.044 -2.360 1.00 0.00 O ATOM 246 CB ASP A 17 1.764 12.032 -4.178 1.00 0.00 C ATOM 247 CG ASP A 17 1.078 12.571 -5.416 1.00 0.00 C ATOM 248 OD1 ASP A 17 0.476 13.664 -5.338 1.00 0.00 O ATOM 249 OD2 ASP A 17 1.137 11.911 -6.473 1.00 0.00 O ATOM 0 H ASP A 17 2.506 11.593 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 17 0.421 13.204 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.728 12.525 -4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.964 10.968 -4.309 1.00 0.00 H new ATOM 254 N GLY A 18 -1.354 11.488 -3.201 1.00 0.00 N ATOM 255 CA GLY A 18 -2.445 10.540 -3.124 1.00 0.00 C ATOM 256 C GLY A 18 -2.433 9.555 -4.271 1.00 0.00 C ATOM 257 O GLY A 18 -1.752 8.532 -4.204 1.00 0.00 O ATOM 0 H GLY A 18 -1.610 12.404 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.385 9.997 -2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.392 11.079 -3.121 1.00 0.00 H new ATOM 261 N GLY A 19 -3.138 9.895 -5.346 1.00 0.00 N ATOM 262 CA GLY A 19 -3.184 9.041 -6.521 1.00 0.00 C ATOM 263 C GLY A 19 -3.573 7.612 -6.195 1.00 0.00 C ATOM 264 O GLY A 19 -4.606 7.368 -5.567 1.00 0.00 O ATOM 0 H GLY A 19 -3.683 10.754 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.897 9.453 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.208 9.045 -7.006 1.00 0.00 H new ATOM 268 N GLU A 20 -2.717 6.676 -6.572 1.00 0.00 N ATOM 269 CA GLU A 20 -2.925 5.270 -6.265 1.00 0.00 C ATOM 270 C GLU A 20 -2.484 4.976 -4.837 1.00 0.00 C ATOM 271 O GLU A 20 -1.385 4.479 -4.607 1.00 0.00 O ATOM 272 CB GLU A 20 -2.139 4.395 -7.242 1.00 0.00 C ATOM 273 CG GLU A 20 -2.990 3.352 -7.949 1.00 0.00 C ATOM 274 CD GLU A 20 -3.346 3.753 -9.364 1.00 0.00 C ATOM 275 OE1 GLU A 20 -3.482 4.966 -9.628 1.00 0.00 O ATOM 276 OE2 GLU A 20 -3.488 2.857 -10.222 1.00 0.00 O ATOM 0 H GLU A 20 -1.863 6.868 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.987 5.044 -6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.667 5.033 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.338 3.891 -6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.454 2.403 -7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.905 3.189 -7.380 1.00 0.00 H new ATOM 283 N LEU A 21 -3.326 5.327 -3.881 1.00 0.00 N ATOM 284 CA LEU A 21 -2.982 5.163 -2.481 1.00 0.00 C ATOM 285 C LEU A 21 -3.122 3.714 -2.057 1.00 0.00 C ATOM 286 O LEU A 21 -4.229 3.194 -1.919 1.00 0.00 O ATOM 287 CB LEU A 21 -3.865 6.044 -1.597 1.00 0.00 C ATOM 288 CG LEU A 21 -3.305 7.435 -1.309 1.00 0.00 C ATOM 289 CD1 LEU A 21 -4.336 8.286 -0.591 1.00 0.00 C ATOM 290 CD2 LEU A 21 -2.031 7.337 -0.487 1.00 0.00 C ATOM 0 H LEU A 21 -4.250 5.726 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.943 5.468 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.839 6.152 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.030 5.532 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.066 7.912 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.919 9.274 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.224 8.385 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.606 7.812 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.646 8.338 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.246 6.840 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.286 6.763 -1.038 1.00 0.00 H new ATOM 302 N LEU A 22 -1.985 3.085 -1.816 1.00 0.00 N ATOM 303 CA LEU A 22 -1.951 1.715 -1.343 1.00 0.00 C ATOM 304 C LEU A 22 -2.213 1.691 0.152 1.00 0.00 C ATOM 305 O LEU A 22 -1.448 2.257 0.935 1.00 0.00 O ATOM 306 CB LEU A 22 -0.601 1.070 -1.661 1.00 0.00 C ATOM 307 CG LEU A 22 -0.678 -0.313 -2.313 1.00 0.00 C ATOM 308 CD1 LEU A 22 -1.695 -0.319 -3.442 1.00 0.00 C ATOM 309 CD2 LEU A 22 0.687 -0.731 -2.830 1.00 0.00 C ATOM 0 H LEU A 22 -1.065 3.508 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.726 1.142 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.045 1.735 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.029 0.987 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.000 -1.030 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.734 -1.311 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.678 -0.061 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.404 0.411 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.616 -1.716 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.033 -0.009 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.394 -0.768 -2.001 1.00 0.00 H new ATOM 321 N CYS A 23 -3.358 1.154 0.528 1.00 0.00 N ATOM 322 CA CYS A 23 -3.794 1.191 1.910 1.00 0.00 C ATOM 323 C CYS A 23 -3.914 -0.208 2.496 1.00 0.00 C ATOM 324 O CYS A 23 -4.607 -1.060 1.941 1.00 0.00 O ATOM 325 CB CYS A 23 -5.138 1.916 2.014 1.00 0.00 C ATOM 326 SG CYS A 23 -6.082 1.978 0.472 1.00 0.00 S ATOM 0 H CYS A 23 -4.005 0.686 -0.107 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.041 1.732 2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.743 1.424 2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.960 2.935 2.357 1.00 0.00 H new ATOM 0 HG CYS A 23 -5.336 2.466 -0.474 1.00 0.00 H new ATOM 332 N CYS A 24 -3.301 -0.408 3.662 1.00 0.00 N ATOM 333 CA CYS A 24 -3.418 -1.665 4.384 1.00 0.00 C ATOM 334 C CYS A 24 -4.869 -1.882 4.792 1.00 0.00 C ATOM 335 O CYS A 24 -5.564 -0.943 5.183 1.00 0.00 O ATOM 336 CB CYS A 24 -2.499 -1.657 5.623 1.00 0.00 C ATOM 337 SG CYS A 24 -2.584 -3.142 6.696 1.00 0.00 S ATOM 0 H CYS A 24 -2.718 0.289 4.124 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.106 -2.484 3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.469 -1.535 5.286 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.743 -0.783 6.226 1.00 0.00 H new ATOM 342 N ASP A 25 -5.336 -3.106 4.665 1.00 0.00 N ATOM 343 CA ASP A 25 -6.704 -3.430 5.041 1.00 0.00 C ATOM 344 C ASP A 25 -6.810 -3.540 6.554 1.00 0.00 C ATOM 345 O ASP A 25 -7.902 -3.575 7.113 1.00 0.00 O ATOM 346 CB ASP A 25 -7.160 -4.736 4.390 1.00 0.00 C ATOM 347 CG ASP A 25 -8.669 -4.835 4.281 1.00 0.00 C ATOM 348 OD1 ASP A 25 -9.266 -4.074 3.490 1.00 0.00 O ATOM 349 OD2 ASP A 25 -9.270 -5.679 4.982 1.00 0.00 O ATOM 0 H ASP A 25 -4.795 -3.893 4.306 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.354 -2.630 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.721 -4.815 3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.785 -5.578 4.971 1.00 0.00 H new ATOM 354 N THR A 26 -5.659 -3.541 7.206 1.00 0.00 N ATOM 355 CA THR A 26 -5.601 -3.630 8.648 1.00 0.00 C ATOM 356 C THR A 26 -5.325 -2.264 9.277 1.00 0.00 C ATOM 357 O THR A 26 -6.105 -1.776 10.096 1.00 0.00 O ATOM 358 CB THR A 26 -4.508 -4.628 9.078 1.00 0.00 C ATOM 359 OG1 THR A 26 -4.021 -5.337 7.925 1.00 0.00 O ATOM 360 CG2 THR A 26 -5.044 -5.617 10.099 1.00 0.00 C ATOM 0 H THR A 26 -4.748 -3.481 6.751 1.00 0.00 H new ATOM 0 HA THR A 26 -6.571 -3.981 8.999 1.00 0.00 H new ATOM 0 HB THR A 26 -3.693 -4.069 9.538 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.152 -4.971 7.659 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.252 -6.310 10.385 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.391 -5.078 10.981 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.874 -6.174 9.665 1.00 0.00 H new ATOM 368 N CYS A 27 -4.223 -1.643 8.873 1.00 0.00 N ATOM 369 CA CYS A 27 -3.828 -0.348 9.410 1.00 0.00 C ATOM 370 C CYS A 27 -4.206 0.785 8.467 1.00 0.00 C ATOM 371 O CYS A 27 -4.315 0.575 7.263 1.00 0.00 O ATOM 372 CB CYS A 27 -2.316 -0.326 9.630 1.00 0.00 C ATOM 373 SG CYS A 27 -1.617 -1.933 10.102 1.00 0.00 S ATOM 0 H CYS A 27 -3.585 -2.019 8.172 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.353 -0.202 10.354 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.831 0.016 8.716 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.082 0.403 10.406 1.00 0.00 H new ATOM 378 N PRO A 28 -4.247 2.030 8.979 1.00 0.00 N ATOM 379 CA PRO A 28 -4.438 3.219 8.150 1.00 0.00 C ATOM 380 C PRO A 28 -3.171 3.573 7.371 1.00 0.00 C ATOM 381 O PRO A 28 -2.821 4.745 7.216 1.00 0.00 O ATOM 382 CB PRO A 28 -4.767 4.305 9.172 1.00 0.00 C ATOM 383 CG PRO A 28 -4.049 3.890 10.410 1.00 0.00 C ATOM 384 CD PRO A 28 -4.006 2.384 10.394 1.00 0.00 C ATOM 0 HA PRO A 28 -5.212 3.084 7.394 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.433 5.285 8.830 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.841 4.376 9.342 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.042 4.307 10.433 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.565 4.254 11.298 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.043 2.009 10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.767 1.957 11.047 1.00 0.00 H new ATOM 392 N SER A 29 -2.479 2.546 6.900 1.00 0.00 N ATOM 393 CA SER A 29 -1.248 2.710 6.168 1.00 0.00 C ATOM 394 C SER A 29 -1.536 3.084 4.723 1.00 0.00 C ATOM 395 O SER A 29 -1.937 2.242 3.929 1.00 0.00 O ATOM 396 CB SER A 29 -0.453 1.409 6.221 1.00 0.00 C ATOM 397 OG SER A 29 0.131 1.209 7.499 1.00 0.00 O ATOM 0 H SER A 29 -2.764 1.574 7.020 1.00 0.00 H new ATOM 0 HA SER A 29 -0.666 3.512 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.108 0.571 5.984 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.328 1.427 5.461 1.00 0.00 H new ATOM 0 HG SER A 29 0.063 0.263 7.745 1.00 0.00 H new ATOM 403 N SER A 30 -1.340 4.349 4.393 1.00 0.00 N ATOM 404 CA SER A 30 -1.570 4.824 3.043 1.00 0.00 C ATOM 405 C SER A 30 -0.247 5.205 2.386 1.00 0.00 C ATOM 406 O SER A 30 0.283 6.299 2.600 1.00 0.00 O ATOM 407 CB SER A 30 -2.529 6.013 3.070 1.00 0.00 C ATOM 408 OG SER A 30 -3.298 6.006 4.265 1.00 0.00 O ATOM 0 H SER A 30 -1.021 5.066 5.045 1.00 0.00 H new ATOM 0 HA SER A 30 -2.023 4.027 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.966 6.943 2.999 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.191 5.974 2.205 1.00 0.00 H new ATOM 0 HG SER A 30 -2.739 6.297 5.015 1.00 0.00 H new ATOM 414 N TYR A 31 0.303 4.276 1.617 1.00 0.00 N ATOM 415 CA TYR A 31 1.564 4.500 0.933 1.00 0.00 C ATOM 416 C TYR A 31 1.357 4.445 -0.586 1.00 0.00 C ATOM 417 O TYR A 31 0.236 4.547 -1.073 1.00 0.00 O ATOM 418 CB TYR A 31 2.602 3.434 1.316 1.00 0.00 C ATOM 419 CG TYR A 31 2.671 3.048 2.778 1.00 0.00 C ATOM 420 CD1 TYR A 31 3.359 3.825 3.702 1.00 0.00 C ATOM 421 CD2 TYR A 31 2.102 1.861 3.220 1.00 0.00 C ATOM 422 CE1 TYR A 31 3.465 3.434 5.027 1.00 0.00 C ATOM 423 CE2 TYR A 31 2.214 1.459 4.532 1.00 0.00 C ATOM 424 CZ TYR A 31 2.892 2.246 5.434 1.00 0.00 C ATOM 425 OH TYR A 31 3.004 1.834 6.744 1.00 0.00 O ATOM 0 H TYR A 31 -0.108 3.357 1.452 1.00 0.00 H new ATOM 0 HA TYR A 31 1.928 5.483 1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.396 2.535 0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.586 3.792 1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.819 4.749 3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.561 1.241 2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.992 4.054 5.736 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.771 0.528 4.852 1.00 0.00 H new ATOM 0 HH TYR A 31 2.115 1.620 7.097 1.00 0.00 H new ATOM 435 N HIS A 32 2.419 4.066 -1.291 1.00 0.00 N ATOM 436 CA HIS A 32 2.342 3.709 -2.706 1.00 0.00 C ATOM 437 C HIS A 32 3.028 2.372 -2.905 1.00 0.00 C ATOM 438 O HIS A 32 3.330 1.680 -1.935 1.00 0.00 O ATOM 439 CB HIS A 32 3.021 4.749 -3.605 1.00 0.00 C ATOM 440 CG HIS A 32 2.111 5.809 -4.132 1.00 0.00 C ATOM 441 ND1 HIS A 32 2.143 7.083 -3.647 1.00 0.00 N ATOM 442 CD2 HIS A 32 1.172 5.736 -5.102 1.00 0.00 C ATOM 443 CE1 HIS A 32 1.233 7.763 -4.314 1.00 0.00 C ATOM 444 NE2 HIS A 32 0.614 6.985 -5.216 1.00 0.00 N ATOM 0 H HIS A 32 3.358 3.997 -0.898 1.00 0.00 H new ATOM 0 HA HIS A 32 1.289 3.664 -2.984 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.824 5.226 -3.043 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.483 4.234 -4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.910 4.861 -5.678 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.014 8.809 -4.156 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.126 7.267 -5.860 1.00 0.00 H new ATOM 452 N ILE A 33 3.406 2.082 -4.138 1.00 0.00 N ATOM 453 CA ILE A 33 4.167 0.878 -4.431 1.00 0.00 C ATOM 454 C ILE A 33 5.657 1.123 -4.218 1.00 0.00 C ATOM 455 O ILE A 33 6.460 0.189 -4.209 1.00 0.00 O ATOM 456 CB ILE A 33 3.921 0.406 -5.877 1.00 0.00 C ATOM 457 CG1 ILE A 33 4.279 1.510 -6.873 1.00 0.00 C ATOM 458 CG2 ILE A 33 2.472 -0.015 -6.049 1.00 0.00 C ATOM 459 CD1 ILE A 33 4.272 1.050 -8.314 1.00 0.00 C ATOM 0 H ILE A 33 3.199 2.662 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 33 3.831 0.098 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 33 4.562 -0.453 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.574 2.333 -6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.267 1.901 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.309 -0.347 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.246 -0.832 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.819 0.831 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.535 1.885 -8.964 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.998 0.247 -8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.278 0.686 -8.575 1.00 0.00 H new ATOM 470 N HIS A 34 6.019 2.395 -4.076 1.00 0.00 N ATOM 471 CA HIS A 34 7.413 2.788 -3.918 1.00 0.00 C ATOM 472 C HIS A 34 7.591 3.719 -2.718 1.00 0.00 C ATOM 473 O HIS A 34 8.645 4.333 -2.545 1.00 0.00 O ATOM 474 CB HIS A 34 7.923 3.471 -5.199 1.00 0.00 C ATOM 475 CG HIS A 34 6.969 4.468 -5.793 1.00 0.00 C ATOM 476 ND1 HIS A 34 6.735 4.520 -7.147 1.00 0.00 N ATOM 477 CD2 HIS A 34 6.232 5.429 -5.184 1.00 0.00 C ATOM 478 CE1 HIS A 34 5.873 5.506 -7.328 1.00 0.00 C ATOM 479 NE2 HIS A 34 5.540 6.085 -6.167 1.00 0.00 N ATOM 0 H HIS A 34 5.361 3.174 -4.067 1.00 0.00 H new ATOM 0 HA HIS A 34 7.999 1.887 -3.738 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.864 3.974 -4.978 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.139 2.705 -5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.197 5.638 -4.125 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.486 5.807 -8.290 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.895 6.865 -6.040 1.00 0.00 H new ATOM 487 N CYS A 35 6.569 3.802 -1.871 1.00 0.00 N ATOM 488 CA CYS A 35 6.637 4.635 -0.676 1.00 0.00 C ATOM 489 C CYS A 35 6.681 3.762 0.570 1.00 0.00 C ATOM 490 O CYS A 35 6.244 4.151 1.651 1.00 0.00 O ATOM 491 CB CYS A 35 5.467 5.627 -0.650 1.00 0.00 C ATOM 492 SG CYS A 35 5.290 6.527 -2.226 1.00 0.00 S ATOM 0 H CYS A 35 5.687 3.304 -1.990 1.00 0.00 H new ATOM 0 HA CYS A 35 7.556 5.221 -0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.543 5.090 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.617 6.342 0.159 1.00 0.00 H new ATOM 497 N LEU A 36 7.321 2.620 0.411 1.00 0.00 N ATOM 498 CA LEU A 36 7.601 1.717 1.511 1.00 0.00 C ATOM 499 C LEU A 36 9.053 1.287 1.416 1.00 0.00 C ATOM 500 O LEU A 36 9.819 1.873 0.647 1.00 0.00 O ATOM 501 CB LEU A 36 6.683 0.493 1.463 1.00 0.00 C ATOM 502 CG LEU A 36 5.683 0.476 0.308 1.00 0.00 C ATOM 503 CD1 LEU A 36 5.988 -0.657 -0.651 1.00 0.00 C ATOM 504 CD2 LEU A 36 4.269 0.352 0.839 1.00 0.00 C ATOM 0 H LEU A 36 7.664 2.290 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 36 7.419 2.228 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.301 -0.403 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.131 0.435 2.401 1.00 0.00 H new ATOM 0 HG LEU A 36 5.772 1.416 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.263 -0.650 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.991 -0.530 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.929 -1.608 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.567 0.341 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.173 -0.574 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.048 1.199 1.488 1.00 0.00 H new ATOM 516 N ASN A 37 9.433 0.262 2.156 1.00 0.00 N ATOM 517 CA ASN A 37 10.799 -0.238 2.091 1.00 0.00 C ATOM 518 C ASN A 37 10.995 -1.121 0.854 1.00 0.00 C ATOM 519 O ASN A 37 11.789 -0.773 -0.023 1.00 0.00 O ATOM 520 CB ASN A 37 11.189 -0.990 3.369 1.00 0.00 C ATOM 521 CG ASN A 37 11.241 -0.092 4.591 1.00 0.00 C ATOM 522 OD1 ASN A 37 10.761 -0.461 5.664 1.00 0.00 O ATOM 523 ND2 ASN A 37 11.820 1.086 4.447 1.00 0.00 N ATOM 0 H ASN A 37 8.824 -0.238 2.804 1.00 0.00 H new ATOM 0 HA ASN A 37 11.461 0.624 2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.473 -1.793 3.545 1.00 0.00 H new ATOM 0 HB3 ASN A 37 12.163 -1.457 3.226 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.881 1.725 5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.206 1.357 3.543 1.00 0.00 H new ATOM 530 N PRO A 38 10.238 -2.235 0.710 1.00 0.00 N ATOM 531 CA PRO A 38 10.333 -3.097 -0.465 1.00 0.00 C ATOM 532 C PRO A 38 9.419 -2.631 -1.603 1.00 0.00 C ATOM 533 O PRO A 38 8.195 -2.739 -1.515 1.00 0.00 O ATOM 534 CB PRO A 38 9.878 -4.446 0.082 1.00 0.00 C ATOM 535 CG PRO A 38 8.872 -4.113 1.135 1.00 0.00 C ATOM 536 CD PRO A 38 9.219 -2.738 1.659 1.00 0.00 C ATOM 0 HA PRO A 38 11.331 -3.107 -0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.440 -5.063 -0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.715 -5.006 0.498 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.863 -4.125 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.896 -4.849 1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.344 -2.089 1.685 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.610 -2.786 2.675 1.00 0.00 H new ATOM 544 N PRO A 39 9.997 -2.072 -2.676 1.00 0.00 N ATOM 545 CA PRO A 39 9.231 -1.545 -3.805 1.00 0.00 C ATOM 546 C PRO A 39 8.615 -2.653 -4.653 1.00 0.00 C ATOM 547 O PRO A 39 9.329 -3.479 -5.231 1.00 0.00 O ATOM 548 CB PRO A 39 10.267 -0.757 -4.623 1.00 0.00 C ATOM 549 CG PRO A 39 11.487 -0.679 -3.765 1.00 0.00 C ATOM 550 CD PRO A 39 11.436 -1.876 -2.864 1.00 0.00 C ATOM 0 HA PRO A 39 8.391 -0.937 -3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.484 -1.258 -5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.897 0.238 -4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.392 -0.686 -4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.499 0.245 -3.186 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.908 -2.747 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.947 -1.694 -1.919 1.00 0.00 H new ATOM 558 N LEU A 40 7.295 -2.639 -4.755 1.00 0.00 N ATOM 559 CA LEU A 40 6.584 -3.597 -5.586 1.00 0.00 C ATOM 560 C LEU A 40 6.188 -2.944 -6.907 1.00 0.00 C ATOM 561 O LEU A 40 5.774 -1.788 -6.929 1.00 0.00 O ATOM 562 CB LEU A 40 5.344 -4.133 -4.864 1.00 0.00 C ATOM 563 CG LEU A 40 4.662 -3.160 -3.899 1.00 0.00 C ATOM 564 CD1 LEU A 40 3.186 -3.040 -4.226 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.842 -3.621 -2.463 1.00 0.00 C ATOM 0 H LEU A 40 6.693 -1.973 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 40 7.246 -4.439 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.616 -4.442 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.628 -5.027 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 40 5.128 -2.181 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.715 -2.345 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.068 -2.671 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.713 -4.018 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.351 -2.917 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.400 -4.610 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.905 -3.667 -2.226 1.00 0.00 H new ATOM 577 N PRO A 41 6.425 -3.629 -8.032 1.00 0.00 N ATOM 578 CA PRO A 41 6.182 -3.071 -9.366 1.00 0.00 C ATOM 579 C PRO A 41 4.698 -3.033 -9.728 1.00 0.00 C ATOM 580 O PRO A 41 4.256 -2.177 -10.496 1.00 0.00 O ATOM 581 CB PRO A 41 6.934 -4.026 -10.309 1.00 0.00 C ATOM 582 CG PRO A 41 7.777 -4.888 -9.426 1.00 0.00 C ATOM 583 CD PRO A 41 7.070 -4.943 -8.105 1.00 0.00 C ATOM 0 HA PRO A 41 6.518 -2.036 -9.430 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.238 -4.627 -10.893 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.549 -3.472 -11.018 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.891 -5.886 -9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.778 -4.472 -9.316 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.343 -5.754 -8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.765 -5.100 -7.280 1.00 0.00 H new ATOM 591 N GLU A 42 3.943 -3.993 -9.217 1.00 0.00 N ATOM 592 CA GLU A 42 2.527 -4.104 -9.545 1.00 0.00 C ATOM 593 C GLU A 42 1.660 -3.637 -8.384 1.00 0.00 C ATOM 594 O GLU A 42 1.977 -3.890 -7.223 1.00 0.00 O ATOM 595 CB GLU A 42 2.176 -5.551 -9.908 1.00 0.00 C ATOM 596 CG GLU A 42 3.387 -6.460 -10.065 1.00 0.00 C ATOM 597 CD GLU A 42 3.718 -7.215 -8.794 1.00 0.00 C ATOM 598 OE1 GLU A 42 4.357 -6.632 -7.894 1.00 0.00 O ATOM 599 OE2 GLU A 42 3.343 -8.399 -8.688 1.00 0.00 O ATOM 0 H GLU A 42 4.285 -4.707 -8.574 1.00 0.00 H new ATOM 0 HA GLU A 42 2.329 -3.462 -10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.524 -5.961 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.609 -5.554 -10.839 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.200 -7.173 -10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.249 -5.863 -10.363 1.00 0.00 H new ATOM 606 N ILE A 43 0.545 -2.995 -8.707 1.00 0.00 N ATOM 607 CA ILE A 43 -0.397 -2.554 -7.689 1.00 0.00 C ATOM 608 C ILE A 43 -1.343 -3.688 -7.320 1.00 0.00 C ATOM 609 O ILE A 43 -2.073 -4.199 -8.175 1.00 0.00 O ATOM 610 CB ILE A 43 -1.235 -1.334 -8.142 1.00 0.00 C ATOM 611 CG1 ILE A 43 -1.557 -1.420 -9.634 1.00 0.00 C ATOM 612 CG2 ILE A 43 -0.514 -0.035 -7.824 1.00 0.00 C ATOM 613 CD1 ILE A 43 -2.990 -1.069 -9.961 1.00 0.00 C ATOM 0 H ILE A 43 0.272 -2.769 -9.663 1.00 0.00 H new ATOM 0 HA ILE A 43 0.197 -2.255 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.174 -1.346 -7.589 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.893 -0.750 -10.180 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.349 -2.431 -9.985 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.122 0.808 -8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.346 0.034 -6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.444 -0.014 -8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.148 -1.151 -11.036 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.660 -1.755 -9.442 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.197 -0.048 -9.641 1.00 0.00 H new ATOM 624 N PRO A 44 -1.298 -4.138 -6.059 1.00 0.00 N ATOM 625 CA PRO A 44 -2.136 -5.239 -5.576 1.00 0.00 C ATOM 626 C PRO A 44 -3.619 -4.978 -5.809 1.00 0.00 C ATOM 627 O PRO A 44 -4.134 -3.910 -5.478 1.00 0.00 O ATOM 628 CB PRO A 44 -1.839 -5.289 -4.079 1.00 0.00 C ATOM 629 CG PRO A 44 -0.489 -4.681 -3.943 1.00 0.00 C ATOM 630 CD PRO A 44 -0.396 -3.633 -5.013 1.00 0.00 C ATOM 0 HA PRO A 44 -1.919 -6.171 -6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.583 -4.733 -3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.852 -6.313 -3.706 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.357 -4.242 -2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.291 -5.433 -4.064 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.711 -2.656 -4.647 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.624 -3.522 -5.380 1.00 0.00 H new ATOM 638 N ASN A 45 -4.290 -5.950 -6.404 1.00 0.00 N ATOM 639 CA ASN A 45 -5.708 -5.823 -6.711 1.00 0.00 C ATOM 640 C ASN A 45 -6.557 -6.238 -5.520 1.00 0.00 C ATOM 641 O ASN A 45 -6.340 -7.297 -4.930 1.00 0.00 O ATOM 642 CB ASN A 45 -6.067 -6.681 -7.924 1.00 0.00 C ATOM 643 CG ASN A 45 -7.331 -6.205 -8.616 1.00 0.00 C ATOM 644 OD1 ASN A 45 -7.970 -5.244 -8.186 1.00 0.00 O ATOM 645 ND2 ASN A 45 -7.697 -6.871 -9.699 1.00 0.00 N ATOM 0 H ASN A 45 -3.876 -6.839 -6.685 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.913 -4.777 -6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.240 -6.666 -8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.197 -7.716 -7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.535 -6.593 -10.209 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.141 -7.662 -10.024 1.00 0.00 H new ATOM 652 N GLY A 46 -7.508 -5.392 -5.163 1.00 0.00 N ATOM 653 CA GLY A 46 -8.378 -5.684 -4.046 1.00 0.00 C ATOM 654 C GLY A 46 -7.920 -5.006 -2.781 1.00 0.00 C ATOM 655 O GLY A 46 -8.060 -3.788 -2.633 1.00 0.00 O ATOM 0 H GLY A 46 -7.694 -4.504 -5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.392 -5.362 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.414 -6.762 -3.887 1.00 0.00 H new ATOM 659 N GLU A 47 -7.314 -5.772 -1.894 1.00 0.00 N ATOM 660 CA GLU A 47 -6.773 -5.225 -0.666 1.00 0.00 C ATOM 661 C GLU A 47 -5.305 -5.588 -0.523 1.00 0.00 C ATOM 662 O GLU A 47 -4.861 -6.643 -0.984 1.00 0.00 O ATOM 663 CB GLU A 47 -7.563 -5.721 0.552 1.00 0.00 C ATOM 664 CG GLU A 47 -7.496 -7.227 0.761 1.00 0.00 C ATOM 665 CD GLU A 47 -8.865 -7.874 0.758 1.00 0.00 C ATOM 666 OE1 GLU A 47 -9.550 -7.829 1.803 1.00 0.00 O ATOM 667 OE2 GLU A 47 -9.262 -8.429 -0.285 1.00 0.00 O ATOM 0 H GLU A 47 -7.184 -6.778 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.863 -4.140 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.185 -5.223 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.606 -5.426 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.885 -7.673 -0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.000 -7.437 1.709 1.00 0.00 H new ATOM 674 N TRP A 48 -4.554 -4.710 0.112 1.00 0.00 N ATOM 675 CA TRP A 48 -3.143 -4.924 0.331 1.00 0.00 C ATOM 676 C TRP A 48 -2.825 -4.546 1.773 1.00 0.00 C ATOM 677 O TRP A 48 -3.605 -3.838 2.403 1.00 0.00 O ATOM 678 CB TRP A 48 -2.346 -4.087 -0.682 1.00 0.00 C ATOM 679 CG TRP A 48 -0.903 -3.873 -0.336 1.00 0.00 C ATOM 680 CD1 TRP A 48 0.160 -4.647 -0.701 1.00 0.00 C ATOM 681 CD2 TRP A 48 -0.373 -2.799 0.435 1.00 0.00 C ATOM 682 NE1 TRP A 48 1.323 -4.114 -0.201 1.00 0.00 N ATOM 683 CE2 TRP A 48 1.019 -2.977 0.506 1.00 0.00 C ATOM 684 CE3 TRP A 48 -0.950 -1.704 1.077 1.00 0.00 C ATOM 685 CZ2 TRP A 48 1.843 -2.091 1.192 1.00 0.00 C ATOM 686 CZ3 TRP A 48 -0.137 -0.831 1.755 1.00 0.00 C ATOM 687 CH2 TRP A 48 1.247 -1.025 1.812 1.00 0.00 C ATOM 0 H TRP A 48 -4.907 -3.830 0.489 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.866 -5.967 0.181 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.402 -4.574 -1.656 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.827 -3.114 -0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.096 -5.546 -1.296 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.258 -4.499 -0.333 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.018 -1.546 1.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.912 -2.238 1.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.574 0.022 2.254 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.858 -0.320 2.356 1.00 0.00 H new ATOM 698 N LEU A 49 -1.753 -5.092 2.322 1.00 0.00 N ATOM 699 CA LEU A 49 -1.395 -4.831 3.709 1.00 0.00 C ATOM 700 C LEU A 49 0.064 -4.408 3.800 1.00 0.00 C ATOM 701 O LEU A 49 0.842 -4.711 2.897 1.00 0.00 O ATOM 702 CB LEU A 49 -1.626 -6.079 4.565 1.00 0.00 C ATOM 703 CG LEU A 49 -2.804 -6.962 4.150 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.618 -8.373 4.678 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.111 -6.377 4.652 1.00 0.00 C ATOM 0 H LEU A 49 -1.115 -5.718 1.831 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.027 -4.026 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.719 -6.683 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.778 -5.765 5.598 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.840 -7.000 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.464 -8.989 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.698 -8.795 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.558 -8.349 5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.938 -7.019 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.086 -6.310 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.250 -5.382 4.230 1.00 0.00 H new ATOM 717 N CYS A 50 0.409 -3.689 4.876 1.00 0.00 N ATOM 718 CA CYS A 50 1.773 -3.192 5.106 1.00 0.00 C ATOM 719 C CYS A 50 2.840 -4.222 4.722 1.00 0.00 C ATOM 720 O CYS A 50 2.606 -5.426 4.791 1.00 0.00 O ATOM 721 CB CYS A 50 1.969 -2.836 6.585 1.00 0.00 C ATOM 722 SG CYS A 50 0.748 -1.678 7.280 1.00 0.00 S ATOM 0 H CYS A 50 -0.250 -3.435 5.612 1.00 0.00 H new ATOM 0 HA CYS A 50 1.890 -2.311 4.475 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.945 -3.756 7.169 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.963 -2.406 6.709 1.00 0.00 H new ATOM 727 N PRO A 51 4.078 -3.766 4.465 1.00 0.00 N ATOM 728 CA PRO A 51 5.219 -4.659 4.197 1.00 0.00 C ATOM 729 C PRO A 51 5.477 -5.638 5.346 1.00 0.00 C ATOM 730 O PRO A 51 6.186 -6.631 5.187 1.00 0.00 O ATOM 731 CB PRO A 51 6.401 -3.696 4.039 1.00 0.00 C ATOM 732 CG PRO A 51 5.782 -2.380 3.722 1.00 0.00 C ATOM 733 CD PRO A 51 4.484 -2.353 4.472 1.00 0.00 C ATOM 0 HA PRO A 51 5.045 -5.286 3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.993 -3.644 4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.071 -4.020 3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.429 -1.558 4.029 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.617 -2.272 2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.610 -1.973 5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.746 -1.717 3.982 1.00 0.00 H new ATOM 741 N ARG A 52 4.807 -5.406 6.468 1.00 0.00 N ATOM 742 CA ARG A 52 4.854 -6.326 7.593 1.00 0.00 C ATOM 743 C ARG A 52 3.568 -7.149 7.645 1.00 0.00 C ATOM 744 O ARG A 52 3.603 -8.367 7.820 1.00 0.00 O ATOM 745 CB ARG A 52 5.044 -5.562 8.908 1.00 0.00 C ATOM 746 CG ARG A 52 6.086 -4.455 8.832 1.00 0.00 C ATOM 747 CD ARG A 52 5.616 -3.194 9.540 1.00 0.00 C ATOM 748 NE ARG A 52 5.744 -2.006 8.697 1.00 0.00 N ATOM 749 CZ ARG A 52 4.728 -1.205 8.378 1.00 0.00 C ATOM 750 NH1 ARG A 52 3.508 -1.461 8.830 1.00 0.00 N ATOM 751 NH2 ARG A 52 4.936 -0.147 7.602 1.00 0.00 N ATOM 0 H ARG A 52 4.223 -4.584 6.621 1.00 0.00 H new ATOM 0 HA ARG A 52 5.703 -6.996 7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.089 -5.129 9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.333 -6.267 9.688 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.017 -4.800 9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.301 -4.228 7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.575 -3.314 9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.196 -3.054 10.452 1.00 0.00 H new ATOM 0 HE ARG A 52 6.668 -1.776 8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.344 -2.274 9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.733 -0.845 8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.873 0.052 7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.159 0.467 7.357 1.00 0.00 H new ATOM 765 N CYS A 53 2.435 -6.476 7.438 1.00 0.00 N ATOM 766 CA CYS A 53 1.127 -7.120 7.448 1.00 0.00 C ATOM 767 C CYS A 53 0.974 -8.122 6.302 1.00 0.00 C ATOM 768 O CYS A 53 0.245 -9.108 6.422 1.00 0.00 O ATOM 769 CB CYS A 53 0.036 -6.054 7.364 1.00 0.00 C ATOM 770 SG CYS A 53 -0.039 -4.978 8.824 1.00 0.00 S ATOM 0 H CYS A 53 2.401 -5.472 7.259 1.00 0.00 H new ATOM 0 HA CYS A 53 1.032 -7.677 8.380 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.206 -5.441 6.479 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.929 -6.543 7.233 1.00 0.00 H new ATOM 775 N THR A 54 1.659 -7.863 5.197 1.00 0.00 N ATOM 776 CA THR A 54 1.599 -8.733 4.028 1.00 0.00 C ATOM 777 C THR A 54 2.292 -10.075 4.306 1.00 0.00 C ATOM 778 O THR A 54 2.102 -11.050 3.574 1.00 0.00 O ATOM 779 CB THR A 54 2.223 -8.037 2.790 1.00 0.00 C ATOM 780 OG1 THR A 54 1.668 -8.575 1.584 1.00 0.00 O ATOM 781 CG2 THR A 54 3.736 -8.190 2.764 1.00 0.00 C ATOM 0 H THR A 54 2.267 -7.052 5.084 1.00 0.00 H new ATOM 0 HA THR A 54 0.550 -8.934 3.812 1.00 0.00 H new ATOM 0 HB THR A 54 1.988 -6.975 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.069 -8.126 0.811 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.137 -7.690 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.163 -7.742 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.994 -9.248 2.729 1.00 0.00 H new ATOM 789 N CYS A 55 2.982 -10.142 5.445 1.00 0.00 N ATOM 790 CA CYS A 55 3.607 -11.374 5.929 1.00 0.00 C ATOM 791 C CYS A 55 4.578 -11.985 4.915 1.00 0.00 C ATOM 792 O CYS A 55 4.422 -13.141 4.522 1.00 0.00 O ATOM 793 CB CYS A 55 2.534 -12.399 6.307 1.00 0.00 C ATOM 794 SG CYS A 55 1.228 -11.737 7.365 1.00 0.00 S ATOM 0 H CYS A 55 3.124 -9.341 6.060 1.00 0.00 H new ATOM 0 HA CYS A 55 4.190 -11.106 6.810 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.085 -12.793 5.395 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.010 -13.237 6.816 1.00 0.00 H new ATOM 0 HG CYS A 55 1.031 -10.484 7.079 1.00 0.00 H new ATOM 800 N PRO A 56 5.655 -11.266 4.560 1.00 0.00 N ATOM 801 CA PRO A 56 6.700 -11.809 3.700 1.00 0.00 C ATOM 802 C PRO A 56 7.614 -12.764 4.467 1.00 0.00 C ATOM 803 O PRO A 56 8.044 -13.790 3.941 1.00 0.00 O ATOM 804 CB PRO A 56 7.462 -10.568 3.248 1.00 0.00 C ATOM 805 CG PRO A 56 7.279 -9.575 4.344 1.00 0.00 C ATOM 806 CD PRO A 56 5.975 -9.900 5.026 1.00 0.00 C ATOM 0 HA PRO A 56 6.303 -12.394 2.871 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.517 -10.790 3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.071 -10.188 2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.107 -9.626 5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.262 -8.561 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.072 -9.862 6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.194 -9.192 4.751 1.00 0.00 H new ATOM 814 N ALA A 57 7.852 -12.445 5.734 1.00 0.00 N ATOM 815 CA ALA A 57 8.650 -13.290 6.608 1.00 0.00 C ATOM 816 C ALA A 57 7.854 -13.641 7.860 1.00 0.00 C ATOM 817 O ALA A 57 8.381 -14.209 8.815 1.00 0.00 O ATOM 818 CB ALA A 57 9.947 -12.588 6.977 1.00 0.00 C ATOM 0 H ALA A 57 7.499 -11.598 6.180 1.00 0.00 H new ATOM 0 HA ALA A 57 8.897 -14.212 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.535 -13.231 7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 57 10.515 -12.374 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.722 -11.655 7.493 1.00 0.00 H new ATOM 824 N LEU A 58 6.576 -13.294 7.842 1.00 0.00 N ATOM 825 CA LEU A 58 5.687 -13.561 8.963 1.00 0.00 C ATOM 826 C LEU A 58 4.867 -14.817 8.696 1.00 0.00 C ATOM 827 O LEU A 58 4.902 -15.363 7.591 1.00 0.00 O ATOM 828 CB LEU A 58 4.756 -12.367 9.188 1.00 0.00 C ATOM 829 CG LEU A 58 4.819 -11.734 10.578 1.00 0.00 C ATOM 830 CD1 LEU A 58 5.810 -10.580 10.591 1.00 0.00 C ATOM 831 CD2 LEU A 58 3.438 -11.260 11.007 1.00 0.00 C ATOM 0 H LEU A 58 6.128 -12.823 7.056 1.00 0.00 H new ATOM 0 HA LEU A 58 6.288 -13.717 9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.991 -11.601 8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.731 -12.688 9.000 1.00 0.00 H new ATOM 0 HG LEU A 58 5.160 -12.487 11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.843 -10.140 11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.801 -10.948 10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.497 -9.824 9.871 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.499 -10.812 11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.070 -10.520 10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.754 -12.108 11.034 1.00 0.00 H new ATOM 843 N LYS A 59 4.099 -15.248 9.685 1.00 0.00 N ATOM 844 CA LYS A 59 3.240 -16.410 9.523 1.00 0.00 C ATOM 845 C LYS A 59 1.898 -15.997 8.927 1.00 0.00 C ATOM 846 O LYS A 59 0.947 -15.688 9.647 1.00 0.00 O ATOM 847 CB LYS A 59 3.031 -17.116 10.864 1.00 0.00 C ATOM 848 CG LYS A 59 3.760 -18.446 10.975 1.00 0.00 C ATOM 849 CD LYS A 59 2.820 -19.618 10.753 1.00 0.00 C ATOM 850 CE LYS A 59 2.023 -19.937 12.005 1.00 0.00 C ATOM 851 NZ LYS A 59 0.807 -20.735 11.702 1.00 0.00 N ATOM 0 H LYS A 59 4.053 -14.812 10.606 1.00 0.00 H new ATOM 0 HA LYS A 59 3.727 -17.106 8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.367 -16.459 11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.964 -17.283 11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.567 -18.482 10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.220 -18.529 11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.138 -19.388 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.394 -20.495 10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.652 -20.487 12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.734 -19.008 12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.292 -20.931 12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.194 -20.201 11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.083 -21.633 11.256 1.00 0.00 H new ATOM 865 N GLY A 60 1.840 -15.965 7.606 1.00 0.00 N ATOM 866 CA GLY A 60 0.628 -15.564 6.923 1.00 0.00 C ATOM 867 C GLY A 60 0.710 -15.814 5.435 1.00 0.00 C ATOM 868 O GLY A 60 1.673 -15.404 4.781 1.00 0.00 O ATOM 0 H GLY A 60 2.615 -16.211 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.219 -16.111 7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.443 -14.505 7.103 1.00 0.00 H new ATOM 872 N LYS A 61 -0.303 -16.474 4.897 1.00 0.00 N ATOM 873 CA LYS A 61 -0.366 -16.771 3.478 1.00 0.00 C ATOM 874 C LYS A 61 -1.816 -16.921 3.051 1.00 0.00 C ATOM 875 O LYS A 61 -2.703 -16.800 3.923 1.00 0.00 O ATOM 876 CB LYS A 61 0.408 -18.053 3.161 1.00 0.00 C ATOM 877 CG LYS A 61 1.511 -17.859 2.133 1.00 0.00 C ATOM 878 CD LYS A 61 1.037 -18.215 0.732 1.00 0.00 C ATOM 879 CE LYS A 61 0.742 -16.968 -0.087 1.00 0.00 C ATOM 880 NZ LYS A 61 -0.698 -16.861 -0.441 1.00 0.00 N ATOM 881 OXT LYS A 61 -2.066 -17.168 1.853 1.00 0.00 O ATOM 0 H LYS A 61 -1.101 -16.817 5.431 1.00 0.00 H new ATOM 0 HA LYS A 61 0.090 -15.948 2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.845 -18.441 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.289 -18.807 2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.849 -16.823 2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.368 -18.478 2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.799 -18.811 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.140 -18.831 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.043 -16.085 0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.339 -16.984 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.938 -15.865 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.888 -17.424 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.276 -17.219 0.346 1.00 0.00 H new TER 895 LYS A 61 HETATM 896 ZN ZN A 62 -0.872 -2.938 8.209 1.00 0.00 ZN HETATM 897 ZN ZN A 63 3.325 7.754 -2.224 1.00 0.00 ZN