USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 229 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 Single : A 1 VAL N :NH3+ -174:sc= -0.0189 (180deg=-0.0677) USER MOD Single : A 4 ASN : amide:sc= -0.0592 K(o=-0.059,f=-0.7) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0978 X(o=-0.098,f=-0.29) USER MOD Single : A 31 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0041) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0519 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -11.466 1.758 2.475 1.00 0.00 N ATOM 2 CA VAL A 1 -10.804 0.684 1.675 1.00 0.00 C ATOM 3 C VAL A 1 -9.290 0.679 1.904 1.00 0.00 C ATOM 4 O VAL A 1 -8.743 1.649 2.428 1.00 0.00 O ATOM 5 CB VAL A 1 -11.138 0.759 0.166 1.00 0.00 C ATOM 6 CG1 VAL A 1 -12.622 0.462 -0.083 1.00 0.00 C ATOM 7 CG2 VAL A 1 -10.783 2.101 -0.492 1.00 0.00 C ATOM 0 H1 VAL A 1 -12.498 1.675 2.381 1.00 0.00 H new ATOM 0 H2 VAL A 1 -11.200 1.659 3.476 1.00 0.00 H new ATOM 0 H3 VAL A 1 -11.161 2.689 2.126 1.00 0.00 H new ATOM 0 HA VAL A 1 -11.212 -0.261 2.034 1.00 0.00 H new ATOM 0 HB VAL A 1 -10.510 -0.002 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -12.831 0.521 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -12.858 -0.539 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -13.233 1.193 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -11.049 2.070 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -11.335 2.903 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -9.713 2.283 -0.392 1.00 0.00 H new ATOM 16 N GLY A 2 -8.601 -0.407 1.534 1.00 0.00 N ATOM 17 CA GLY A 2 -7.158 -0.572 1.758 1.00 0.00 C ATOM 18 C GLY A 2 -6.837 -1.256 3.094 1.00 0.00 C ATOM 19 O GLY A 2 -7.612 -2.088 3.578 1.00 0.00 O ATOM 0 H GLY A 2 -9.033 -1.204 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.733 -1.159 0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.677 0.406 1.731 1.00 0.00 H new ATOM 23 N ILE A 3 -5.692 -0.902 3.687 1.00 0.00 N ATOM 24 CA ILE A 3 -5.161 -1.465 4.947 1.00 0.00 C ATOM 25 C ILE A 3 -4.716 -0.345 5.914 1.00 0.00 C ATOM 26 O ILE A 3 -4.802 0.840 5.582 1.00 0.00 O ATOM 27 CB ILE A 3 -4.032 -2.491 4.652 1.00 0.00 C ATOM 28 CG1 ILE A 3 -2.760 -1.824 4.079 1.00 0.00 C ATOM 29 CG2 ILE A 3 -4.551 -3.626 3.748 1.00 0.00 C ATOM 30 CD1 ILE A 3 -1.651 -2.827 3.737 1.00 0.00 C ATOM 0 H ILE A 3 -5.081 -0.188 3.292 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.959 -2.007 5.454 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.733 -2.931 5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.024 -1.265 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.378 -1.104 4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.745 -4.334 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.373 -4.140 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.902 -3.208 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.788 -2.293 3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.360 -3.369 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.016 -3.533 2.991 1.00 0.00 H new ATOM 41 N ASN A 4 -4.232 -0.705 7.109 1.00 0.00 N ATOM 42 CA ASN A 4 -3.804 0.237 8.152 1.00 0.00 C ATOM 43 C ASN A 4 -2.381 -0.096 8.647 1.00 0.00 C ATOM 44 O ASN A 4 -2.193 -0.757 9.671 1.00 0.00 O ATOM 45 CB ASN A 4 -4.868 0.284 9.265 1.00 0.00 C ATOM 46 CG ASN A 4 -4.604 1.418 10.242 1.00 0.00 C ATOM 47 OD1 ASN A 4 -4.802 2.583 9.935 1.00 0.00 O ATOM 48 ND2 ASN A 4 -4.138 1.132 11.436 1.00 0.00 N ATOM 0 H ASN A 4 -4.124 -1.681 7.384 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.731 1.246 7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.855 0.408 8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.877 -0.665 9.801 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.944 1.881 12.101 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.970 0.161 11.699 1.00 0.00 H new ATOM 54 N VAL A 5 -1.378 0.336 7.872 1.00 0.00 N ATOM 55 CA VAL A 5 0.062 0.065 8.074 1.00 0.00 C ATOM 56 C VAL A 5 0.857 1.348 7.791 1.00 0.00 C ATOM 57 O VAL A 5 0.493 2.097 6.883 1.00 0.00 O ATOM 58 CB VAL A 5 0.545 -1.067 7.129 1.00 0.00 C ATOM 59 CG1 VAL A 5 1.945 -1.565 7.509 1.00 0.00 C ATOM 60 CG2 VAL A 5 -0.373 -2.299 7.117 1.00 0.00 C ATOM 0 H VAL A 5 -1.550 0.911 7.047 1.00 0.00 H new ATOM 0 HA VAL A 5 0.222 -0.255 9.104 1.00 0.00 H new ATOM 0 HB VAL A 5 0.540 -0.605 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.248 -2.357 6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.654 -0.740 7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.929 -1.953 8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.030 -3.046 6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.431 -2.719 8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.370 -2.007 6.788 1.00 0.00 H new ATOM 70 N LYS A 6 1.932 1.629 8.537 1.00 0.00 N ATOM 71 CA LYS A 6 2.826 2.783 8.282 1.00 0.00 C ATOM 72 C LYS A 6 3.690 2.590 7.020 1.00 0.00 C ATOM 73 O LYS A 6 3.838 1.474 6.521 1.00 0.00 O ATOM 74 CB LYS A 6 3.692 3.066 9.533 1.00 0.00 C ATOM 75 CG LYS A 6 3.547 4.527 9.996 1.00 0.00 C ATOM 76 CD LYS A 6 4.291 4.807 11.317 1.00 0.00 C ATOM 77 CE LYS A 6 5.709 5.367 11.119 1.00 0.00 C ATOM 78 NZ LYS A 6 5.699 6.836 10.883 1.00 0.00 N ATOM 0 H LYS A 6 2.214 1.065 9.339 1.00 0.00 H new ATOM 0 HA LYS A 6 2.201 3.655 8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.398 2.396 10.341 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.738 2.856 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.930 5.190 9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.490 4.761 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.710 5.514 11.909 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.351 3.884 11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.313 5.145 11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.182 4.867 10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.674 7.174 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.144 7.047 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.271 7.316 11.701 1.00 0.00 H new ATOM 88 N CYS A 7 4.286 3.674 6.519 1.00 0.00 N ATOM 89 CA CYS A 7 5.205 3.671 5.370 1.00 0.00 C ATOM 90 C CYS A 7 6.274 4.779 5.475 1.00 0.00 C ATOM 91 O CYS A 7 6.102 5.759 6.205 1.00 0.00 O ATOM 92 CB CYS A 7 4.387 3.775 4.067 1.00 0.00 C ATOM 93 SG CYS A 7 3.127 5.084 3.988 1.00 0.00 S ATOM 0 H CYS A 7 4.141 4.605 6.909 1.00 0.00 H new ATOM 0 HA CYS A 7 5.757 2.731 5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.082 3.923 3.241 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.893 2.818 3.900 1.00 0.00 H new ATOM 97 N LYS A 8 7.385 4.614 4.733 1.00 0.00 N ATOM 98 CA LYS A 8 8.575 5.498 4.771 1.00 0.00 C ATOM 99 C LYS A 8 8.917 6.156 3.418 1.00 0.00 C ATOM 100 O LYS A 8 9.612 7.171 3.406 1.00 0.00 O ATOM 101 CB LYS A 8 9.756 4.703 5.374 1.00 0.00 C ATOM 102 CG LYS A 8 10.881 5.592 5.938 1.00 0.00 C ATOM 103 CD LYS A 8 11.917 4.827 6.785 1.00 0.00 C ATOM 104 CE LYS A 8 11.314 4.282 8.091 1.00 0.00 C ATOM 105 NZ LYS A 8 12.360 3.790 9.027 1.00 0.00 N ATOM 0 H LYS A 8 7.487 3.844 4.072 1.00 0.00 H new ATOM 0 HA LYS A 8 8.347 6.351 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.380 4.060 6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.172 4.050 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.394 6.081 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.437 6.379 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.321 4.000 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.751 5.489 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.733 5.066 8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.624 3.471 7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.910 3.432 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.898 3.024 8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.004 4.570 9.269 1.00 0.00 H new ATOM 115 N HIS A 9 8.381 5.639 2.304 1.00 0.00 N ATOM 116 CA HIS A 9 8.489 6.238 0.961 1.00 0.00 C ATOM 117 C HIS A 9 7.252 5.962 0.083 1.00 0.00 C ATOM 118 O HIS A 9 6.432 6.859 -0.109 1.00 0.00 O ATOM 119 CB HIS A 9 9.774 5.744 0.260 1.00 0.00 C ATOM 120 CG HIS A 9 11.019 6.504 0.639 1.00 0.00 C ATOM 121 ND1 HIS A 9 11.223 7.858 0.477 1.00 0.00 N ATOM 122 CD2 HIS A 9 12.183 5.977 1.134 1.00 0.00 C ATOM 123 CE1 HIS A 9 12.474 8.144 0.876 1.00 0.00 C ATOM 124 NE2 HIS A 9 13.104 7.025 1.284 1.00 0.00 N ATOM 0 H HIS A 9 7.846 4.771 2.309 1.00 0.00 H new ATOM 0 HA HIS A 9 8.541 7.318 1.095 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.920 4.690 0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.635 5.813 -0.819 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.360 4.938 1.368 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.912 9.131 0.870 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.060 6.954 1.632 1.00 0.00 H new ATOM 132 N SER A 10 7.111 4.738 -0.449 1.00 0.00 N ATOM 133 CA SER A 10 6.019 4.300 -1.346 1.00 0.00 C ATOM 134 C SER A 10 6.132 2.814 -1.712 1.00 0.00 C ATOM 135 O SER A 10 5.228 2.041 -1.391 1.00 0.00 O ATOM 136 CB SER A 10 5.986 5.161 -2.621 1.00 0.00 C ATOM 137 OG SER A 10 5.132 4.585 -3.589 1.00 0.00 O ATOM 0 H SER A 10 7.780 3.992 -0.261 1.00 0.00 H new ATOM 0 HA SER A 10 5.084 4.433 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.643 6.167 -2.378 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.993 5.257 -3.028 1.00 0.00 H new ATOM 0 HG SER A 10 5.122 5.147 -4.392 1.00 0.00 H new ATOM 142 N ARG A 11 7.268 2.370 -2.282 1.00 0.00 N ATOM 143 CA ARG A 11 7.519 0.947 -2.613 1.00 0.00 C ATOM 144 C ARG A 11 7.382 0.004 -1.410 1.00 0.00 C ATOM 145 O ARG A 11 6.963 -1.139 -1.577 1.00 0.00 O ATOM 146 CB ARG A 11 8.904 0.762 -3.270 1.00 0.00 C ATOM 147 CG ARG A 11 8.934 1.129 -4.765 1.00 0.00 C ATOM 148 CD ARG A 11 10.270 0.678 -5.376 1.00 0.00 C ATOM 149 NE ARG A 11 10.352 0.949 -6.828 1.00 0.00 N ATOM 150 CZ ARG A 11 11.293 0.517 -7.653 1.00 0.00 C ATOM 151 NH1 ARG A 11 12.267 -0.254 -7.254 1.00 0.00 N ATOM 152 NH2 ARG A 11 11.281 0.854 -8.911 1.00 0.00 N ATOM 0 H ARG A 11 8.042 2.987 -2.528 1.00 0.00 H new ATOM 0 HA ARG A 11 6.739 0.671 -3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.633 1.375 -2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.216 -0.276 -3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.104 0.650 -5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.810 2.205 -4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.088 1.189 -4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.403 -0.390 -5.201 1.00 0.00 H new ATOM 0 HE ARG A 11 9.613 1.524 -7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.321 -0.543 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.974 -0.567 -7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.541 1.457 -9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.012 0.515 -9.537 1.00 0.00 H new ATOM 163 N GLN A 12 7.660 0.484 -0.195 1.00 0.00 N ATOM 164 CA GLN A 12 7.491 -0.302 1.037 1.00 0.00 C ATOM 165 C GLN A 12 6.020 -0.655 1.347 1.00 0.00 C ATOM 166 O GLN A 12 5.774 -1.593 2.101 1.00 0.00 O ATOM 167 CB GLN A 12 8.140 0.388 2.255 1.00 0.00 C ATOM 168 CG GLN A 12 9.467 1.122 1.970 1.00 0.00 C ATOM 169 CD GLN A 12 10.337 1.390 3.204 1.00 0.00 C ATOM 170 OE1 GLN A 12 11.527 1.655 3.095 1.00 0.00 O ATOM 171 NE2 GLN A 12 9.815 1.352 4.414 1.00 0.00 N ATOM 0 H GLN A 12 8.009 1.429 -0.034 1.00 0.00 H new ATOM 0 HA GLN A 12 8.011 -1.241 0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.429 1.104 2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.318 -0.363 3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.045 0.533 1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.242 2.074 1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.826 1.134 4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.400 1.541 5.228 1.00 0.00 H new ATOM 178 N CYS A 13 5.046 0.063 0.767 1.00 0.00 N ATOM 179 CA CYS A 13 3.612 -0.237 0.861 1.00 0.00 C ATOM 180 C CYS A 13 3.145 -1.272 -0.187 1.00 0.00 C ATOM 181 O CYS A 13 2.197 -2.015 0.072 1.00 0.00 O ATOM 182 CB CYS A 13 2.842 1.090 0.747 1.00 0.00 C ATOM 183 SG CYS A 13 1.036 0.995 0.660 1.00 0.00 S ATOM 0 H CYS A 13 5.241 0.891 0.204 1.00 0.00 H new ATOM 0 HA CYS A 13 3.407 -0.705 1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.107 1.709 1.605 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.196 1.610 -0.143 1.00 0.00 H new ATOM 187 N LEU A 14 3.833 -1.415 -1.331 1.00 0.00 N ATOM 188 CA LEU A 14 3.526 -2.481 -2.298 1.00 0.00 C ATOM 189 C LEU A 14 3.671 -3.886 -1.689 1.00 0.00 C ATOM 190 O LEU A 14 2.816 -4.730 -1.958 1.00 0.00 O ATOM 191 CB LEU A 14 4.365 -2.341 -3.587 1.00 0.00 C ATOM 192 CG LEU A 14 3.749 -1.419 -4.656 1.00 0.00 C ATOM 193 CD1 LEU A 14 4.735 -1.225 -5.810 1.00 0.00 C ATOM 194 CD2 LEU A 14 2.464 -2.006 -5.255 1.00 0.00 C ATOM 0 H LEU A 14 4.604 -0.807 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 14 2.477 -2.359 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.352 -1.961 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.510 -3.331 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 14 3.521 -0.476 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.292 -0.572 -6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.653 -0.773 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.964 -2.191 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.066 -1.321 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.686 -2.966 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.727 -2.149 -4.465 1.00 0.00 H new ATOM 205 N LYS A 15 4.682 -4.139 -0.836 1.00 0.00 N ATOM 206 CA LYS A 15 4.838 -5.427 -0.121 1.00 0.00 C ATOM 207 C LYS A 15 3.558 -5.843 0.640 1.00 0.00 C ATOM 208 O LYS A 15 2.975 -6.867 0.270 1.00 0.00 O ATOM 209 CB LYS A 15 6.071 -5.434 0.814 1.00 0.00 C ATOM 210 CG LYS A 15 7.298 -6.187 0.274 1.00 0.00 C ATOM 211 CD LYS A 15 8.175 -5.380 -0.693 1.00 0.00 C ATOM 212 CE LYS A 15 9.444 -6.198 -0.986 1.00 0.00 C ATOM 213 NZ LYS A 15 10.444 -5.434 -1.776 1.00 0.00 N ATOM 0 H LYS A 15 5.413 -3.461 -0.621 1.00 0.00 H new ATOM 0 HA LYS A 15 5.010 -6.177 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.358 -4.402 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.782 -5.878 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.911 -6.507 1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.958 -7.090 -0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.633 -5.175 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.436 -4.416 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.894 -6.514 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.172 -7.103 -1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.280 -6.029 -1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.027 -5.154 -2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.727 -4.583 -1.249 1.00 0.00 H new ATOM 223 N PRO A 16 3.070 -5.082 1.645 1.00 0.00 N ATOM 224 CA PRO A 16 1.872 -5.453 2.391 1.00 0.00 C ATOM 225 C PRO A 16 0.592 -5.389 1.546 1.00 0.00 C ATOM 226 O PRO A 16 -0.258 -6.259 1.715 1.00 0.00 O ATOM 227 CB PRO A 16 1.823 -4.527 3.613 1.00 0.00 C ATOM 228 CG PRO A 16 2.629 -3.308 3.183 1.00 0.00 C ATOM 229 CD PRO A 16 3.682 -3.910 2.251 1.00 0.00 C ATOM 0 HA PRO A 16 1.924 -6.497 2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.798 -4.258 3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.257 -5.003 4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.008 -2.573 2.671 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.084 -2.803 4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.983 -3.191 1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.580 -4.183 2.805 1.00 0.00 H new ATOM 234 N CYS A 17 0.444 -4.448 0.601 1.00 0.00 N ATOM 235 CA CYS A 17 -0.726 -4.416 -0.291 1.00 0.00 C ATOM 236 C CYS A 17 -0.864 -5.678 -1.156 1.00 0.00 C ATOM 237 O CYS A 17 -1.942 -6.276 -1.207 1.00 0.00 O ATOM 238 CB CYS A 17 -0.673 -3.188 -1.209 1.00 0.00 C ATOM 239 SG CYS A 17 -1.027 -1.600 -0.425 1.00 0.00 S ATOM 0 H CYS A 17 1.118 -3.701 0.435 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.597 -4.366 0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.319 -3.136 -1.657 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.383 -3.336 -2.022 1.00 0.00 H new ATOM 243 N LYS A 18 0.216 -6.099 -1.832 1.00 0.00 N ATOM 244 CA LYS A 18 0.196 -7.285 -2.702 1.00 0.00 C ATOM 245 C LYS A 18 -0.010 -8.568 -1.891 1.00 0.00 C ATOM 246 O LYS A 18 -0.796 -9.427 -2.287 1.00 0.00 O ATOM 247 CB LYS A 18 1.481 -7.335 -3.558 1.00 0.00 C ATOM 248 CG LYS A 18 1.268 -7.891 -4.977 1.00 0.00 C ATOM 249 CD LYS A 18 0.472 -6.919 -5.870 1.00 0.00 C ATOM 250 CE LYS A 18 0.343 -7.430 -7.313 1.00 0.00 C ATOM 251 NZ LYS A 18 1.425 -6.920 -8.197 1.00 0.00 N ATOM 0 H LYS A 18 1.121 -5.631 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.654 -7.209 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.895 -6.330 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.222 -7.949 -3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.236 -8.093 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.739 -8.842 -4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.522 -6.772 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.964 -5.946 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.362 -8.520 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.624 -7.129 -7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.293 -7.293 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.392 -5.881 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.348 -7.229 -7.830 1.00 0.00 H new ATOM 261 N ASP A 19 0.626 -8.667 -0.721 1.00 0.00 N ATOM 262 CA ASP A 19 0.471 -9.800 0.201 1.00 0.00 C ATOM 263 C ASP A 19 -0.930 -9.877 0.853 1.00 0.00 C ATOM 264 O ASP A 19 -1.441 -10.975 1.079 1.00 0.00 O ATOM 265 CB ASP A 19 1.581 -9.737 1.258 1.00 0.00 C ATOM 266 CG ASP A 19 1.642 -11.023 2.099 1.00 0.00 C ATOM 267 OD1 ASP A 19 2.083 -12.071 1.568 1.00 0.00 O ATOM 268 OD2 ASP A 19 1.270 -10.987 3.297 1.00 0.00 O ATOM 0 H ASP A 19 1.272 -7.954 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 19 0.563 -10.718 -0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.541 -9.577 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.411 -8.882 1.913 1.00 0.00 H new ATOM 272 N ALA A 20 -1.590 -8.734 1.089 1.00 0.00 N ATOM 273 CA ALA A 20 -2.984 -8.653 1.546 1.00 0.00 C ATOM 274 C ALA A 20 -4.019 -9.097 0.484 1.00 0.00 C ATOM 275 O ALA A 20 -5.176 -9.353 0.828 1.00 0.00 O ATOM 276 CB ALA A 20 -3.271 -7.216 2.007 1.00 0.00 C ATOM 0 H ALA A 20 -1.158 -7.818 0.964 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.095 -9.356 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.303 -7.143 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.599 -6.955 2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.115 -6.529 1.175 1.00 0.00 H new ATOM 282 N GLY A 21 -3.629 -9.177 -0.795 1.00 0.00 N ATOM 283 CA GLY A 21 -4.487 -9.599 -1.913 1.00 0.00 C ATOM 284 C GLY A 21 -5.051 -8.452 -2.768 1.00 0.00 C ATOM 285 O GLY A 21 -5.799 -8.712 -3.714 1.00 0.00 O ATOM 0 H GLY A 21 -2.681 -8.943 -1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.915 -10.266 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.320 -10.178 -1.514 1.00 0.00 H new ATOM 289 N MET A 22 -4.719 -7.194 -2.456 1.00 0.00 N ATOM 290 CA MET A 22 -5.092 -6.010 -3.249 1.00 0.00 C ATOM 291 C MET A 22 -4.195 -5.848 -4.495 1.00 0.00 C ATOM 292 O MET A 22 -3.133 -6.471 -4.595 1.00 0.00 O ATOM 293 CB MET A 22 -5.030 -4.753 -2.362 1.00 0.00 C ATOM 294 CG MET A 22 -6.281 -4.566 -1.490 1.00 0.00 C ATOM 295 SD MET A 22 -6.505 -5.736 -0.118 1.00 0.00 S ATOM 296 CE MET A 22 -7.926 -6.680 -0.735 1.00 0.00 C ATOM 0 H MET A 22 -4.171 -6.962 -1.627 1.00 0.00 H new ATOM 0 HA MET A 22 -6.112 -6.147 -3.608 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.152 -4.813 -1.719 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.902 -3.875 -2.995 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.259 -3.558 -1.077 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.157 -4.627 -2.135 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.197 -7.446 -0.009 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.771 -6.008 -0.886 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.665 -7.153 -1.682 1.00 0.00 H new ATOM 304 N ARG A 23 -4.607 -4.996 -5.449 1.00 0.00 N ATOM 305 CA ARG A 23 -3.852 -4.714 -6.686 1.00 0.00 C ATOM 306 C ARG A 23 -2.849 -3.575 -6.496 1.00 0.00 C ATOM 307 O ARG A 23 -1.640 -3.805 -6.542 1.00 0.00 O ATOM 308 CB ARG A 23 -4.829 -4.433 -7.849 1.00 0.00 C ATOM 309 CG ARG A 23 -4.073 -4.043 -9.136 1.00 0.00 C ATOM 310 CD ARG A 23 -4.966 -4.005 -10.380 1.00 0.00 C ATOM 311 NE ARG A 23 -5.892 -2.855 -10.396 1.00 0.00 N ATOM 312 CZ ARG A 23 -6.616 -2.459 -11.429 1.00 0.00 C ATOM 313 NH1 ARG A 23 -6.605 -3.097 -12.567 1.00 0.00 N ATOM 314 NH2 ARG A 23 -7.364 -1.398 -11.348 1.00 0.00 N ATOM 0 H ARG A 23 -5.483 -4.477 -5.384 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.266 -5.598 -6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.438 -5.317 -8.037 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.511 -3.630 -7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.615 -3.064 -8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.263 -4.753 -9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.337 -3.969 -11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.543 -4.928 -10.434 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.981 -2.318 -9.533 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.025 -3.929 -12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.176 -2.764 -13.344 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.396 -0.862 -10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.918 -1.102 -12.152 1.00 0.00 H new ATOM 325 N PHE A 24 -3.352 -2.355 -6.314 1.00 0.00 N ATOM 326 CA PHE A 24 -2.528 -1.156 -6.152 1.00 0.00 C ATOM 327 C PHE A 24 -1.913 -1.085 -4.748 1.00 0.00 C ATOM 328 O PHE A 24 -2.445 -1.661 -3.797 1.00 0.00 O ATOM 329 CB PHE A 24 -3.384 0.089 -6.430 1.00 0.00 C ATOM 330 CG PHE A 24 -3.504 0.483 -7.893 1.00 0.00 C ATOM 331 CD1 PHE A 24 -2.357 0.892 -8.600 1.00 0.00 C ATOM 332 CD2 PHE A 24 -4.761 0.520 -8.530 1.00 0.00 C ATOM 333 CE1 PHE A 24 -2.460 1.326 -9.934 1.00 0.00 C ATOM 334 CE2 PHE A 24 -4.865 0.963 -9.863 1.00 0.00 C ATOM 335 CZ PHE A 24 -3.715 1.365 -10.564 1.00 0.00 C ATOM 0 H PHE A 24 -4.354 -2.168 -6.274 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.705 -1.199 -6.865 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.385 -0.083 -6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.963 0.929 -5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.392 0.872 -8.115 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.646 0.208 -7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.575 1.629 -10.474 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.830 0.994 -10.347 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.796 1.704 -11.586 1.00 0.00 H new ATOM 344 N GLY A 25 -0.824 -0.323 -4.614 1.00 0.00 N ATOM 345 CA GLY A 25 -0.198 -0.008 -3.331 1.00 0.00 C ATOM 346 C GLY A 25 0.671 1.246 -3.399 1.00 0.00 C ATOM 347 O GLY A 25 1.557 1.336 -4.250 1.00 0.00 O ATOM 0 H GLY A 25 -0.346 0.099 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.972 0.130 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.412 -0.852 -3.011 1.00 0.00 H new ATOM 351 N LYS A 26 0.411 2.222 -2.520 1.00 0.00 N ATOM 352 CA LYS A 26 1.151 3.497 -2.437 1.00 0.00 C ATOM 353 C LYS A 26 1.020 4.136 -1.051 1.00 0.00 C ATOM 354 O LYS A 26 -0.014 4.018 -0.395 1.00 0.00 O ATOM 355 CB LYS A 26 0.643 4.453 -3.550 1.00 0.00 C ATOM 356 CG LYS A 26 1.764 4.915 -4.504 1.00 0.00 C ATOM 357 CD LYS A 26 2.252 6.352 -4.247 1.00 0.00 C ATOM 358 CE LYS A 26 1.548 7.338 -5.188 1.00 0.00 C ATOM 359 NZ LYS A 26 1.946 8.743 -4.919 1.00 0.00 N ATOM 0 H LYS A 26 -0.336 2.150 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 26 2.212 3.300 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.133 3.950 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.183 5.327 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.609 4.233 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.406 4.842 -5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.057 6.628 -3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.331 6.407 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.785 7.085 -6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.468 7.239 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.448 9.377 -5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.697 8.993 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.973 8.844 -5.051 1.00 0.00 H new ATOM 369 N CYS A 27 2.068 4.825 -0.605 1.00 0.00 N ATOM 370 CA CYS A 27 2.047 5.617 0.629 1.00 0.00 C ATOM 371 C CYS A 27 1.255 6.922 0.393 1.00 0.00 C ATOM 372 O CYS A 27 1.588 7.696 -0.507 1.00 0.00 O ATOM 373 CB CYS A 27 3.505 5.865 1.053 1.00 0.00 C ATOM 374 SG CYS A 27 3.814 6.523 2.717 1.00 0.00 S ATOM 0 H CYS A 27 2.964 4.851 -1.092 1.00 0.00 H new ATOM 0 HA CYS A 27 1.541 5.092 1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.043 4.921 0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.948 6.555 0.335 1.00 0.00 H new ATOM 378 N THR A 28 0.199 7.160 1.176 1.00 0.00 N ATOM 379 CA THR A 28 -0.664 8.357 1.113 1.00 0.00 C ATOM 380 C THR A 28 -1.113 8.753 2.518 1.00 0.00 C ATOM 381 O THR A 28 -1.295 7.893 3.379 1.00 0.00 O ATOM 382 CB THR A 28 -1.884 8.122 0.198 1.00 0.00 C ATOM 383 OG1 THR A 28 -2.381 9.371 -0.221 1.00 0.00 O ATOM 384 CG2 THR A 28 -3.049 7.371 0.851 1.00 0.00 C ATOM 0 H THR A 28 -0.094 6.504 1.900 1.00 0.00 H new ATOM 0 HA THR A 28 -0.083 9.174 0.684 1.00 0.00 H new ATOM 0 HB THR A 28 -1.519 7.500 -0.619 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.156 9.235 -0.805 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.857 7.255 0.129 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.711 6.388 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.409 7.935 1.711 1.00 0.00 H new ATOM 392 N ASN A 29 -1.294 10.048 2.793 1.00 0.00 N ATOM 393 CA ASN A 29 -1.642 10.560 4.132 1.00 0.00 C ATOM 394 C ASN A 29 -0.726 10.024 5.276 1.00 0.00 C ATOM 395 O ASN A 29 -1.161 9.860 6.418 1.00 0.00 O ATOM 396 CB ASN A 29 -3.151 10.298 4.348 1.00 0.00 C ATOM 397 CG ASN A 29 -3.745 11.052 5.528 1.00 0.00 C ATOM 398 OD1 ASN A 29 -3.479 12.227 5.751 1.00 0.00 O ATOM 399 ND2 ASN A 29 -4.587 10.411 6.310 1.00 0.00 N ATOM 0 H ASN A 29 -1.203 10.781 2.090 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.452 11.632 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.691 10.576 3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.307 9.229 4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.017 10.892 7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.810 9.433 6.126 1.00 0.00 H new ATOM 405 N GLY A 30 0.536 9.690 4.963 1.00 0.00 N ATOM 406 CA GLY A 30 1.510 9.093 5.895 1.00 0.00 C ATOM 407 C GLY A 30 1.284 7.606 6.230 1.00 0.00 C ATOM 408 O GLY A 30 1.861 7.107 7.200 1.00 0.00 O ATOM 0 H GLY A 30 0.919 9.831 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.508 9.204 5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.494 9.663 6.824 1.00 0.00 H new ATOM 412 N LYS A 31 0.447 6.899 5.460 1.00 0.00 N ATOM 413 CA LYS A 31 -0.006 5.516 5.700 1.00 0.00 C ATOM 414 C LYS A 31 -0.119 4.728 4.389 1.00 0.00 C ATOM 415 O LYS A 31 -0.220 5.291 3.301 1.00 0.00 O ATOM 416 CB LYS A 31 -1.356 5.572 6.452 1.00 0.00 C ATOM 417 CG LYS A 31 -1.253 4.982 7.869 1.00 0.00 C ATOM 418 CD LYS A 31 -2.329 5.480 8.848 1.00 0.00 C ATOM 419 CE LYS A 31 -3.779 5.120 8.478 1.00 0.00 C ATOM 420 NZ LYS A 31 -4.448 6.156 7.646 1.00 0.00 N ATOM 0 H LYS A 31 0.045 7.293 4.609 1.00 0.00 H new ATOM 0 HA LYS A 31 0.728 4.988 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.693 6.607 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.109 5.024 5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.316 3.896 7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.271 5.220 8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.113 5.073 9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.251 6.564 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.785 4.172 7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.354 4.971 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.435 5.879 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.427 7.069 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.950 6.246 6.737 1.00 0.00 H new ATOM 430 N CYS A 32 -0.059 3.405 4.468 1.00 0.00 N ATOM 431 CA CYS A 32 -0.167 2.541 3.299 1.00 0.00 C ATOM 432 C CYS A 32 -1.621 2.471 2.800 1.00 0.00 C ATOM 433 O CYS A 32 -2.543 2.216 3.578 1.00 0.00 O ATOM 434 CB CYS A 32 0.388 1.163 3.666 1.00 0.00 C ATOM 435 SG CYS A 32 0.451 -0.044 2.321 1.00 0.00 S ATOM 0 H CYS A 32 0.066 2.900 5.345 1.00 0.00 H new ATOM 0 HA CYS A 32 0.417 2.947 2.474 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.396 1.292 4.061 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.220 0.750 4.471 1.00 0.00 H new ATOM 439 N HIS A 33 -1.820 2.675 1.498 1.00 0.00 N ATOM 440 CA HIS A 33 -3.111 2.618 0.813 1.00 0.00 C ATOM 441 C HIS A 33 -3.039 1.607 -0.332 1.00 0.00 C ATOM 442 O HIS A 33 -2.083 1.594 -1.107 1.00 0.00 O ATOM 443 CB HIS A 33 -3.482 4.025 0.311 1.00 0.00 C ATOM 444 CG HIS A 33 -4.231 4.081 -1.003 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.543 3.726 -1.237 1.00 0.00 N ATOM 446 CD2 HIS A 33 -3.704 4.483 -2.202 1.00 0.00 C ATOM 447 CE1 HIS A 33 -5.798 3.912 -2.545 1.00 0.00 C ATOM 448 NE2 HIS A 33 -4.705 4.378 -3.177 1.00 0.00 N ATOM 0 H HIS A 33 -1.052 2.894 0.864 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.891 2.288 1.500 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.088 4.514 1.074 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.566 4.607 0.210 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.692 4.822 -2.367 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.747 3.715 -3.021 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.622 4.609 -4.167 1.00 0.00 H new ATOM 456 N CYS A 34 -4.091 0.797 -0.440 1.00 0.00 N ATOM 457 CA CYS A 34 -4.285 -0.215 -1.470 1.00 0.00 C ATOM 458 C CYS A 34 -5.717 -0.118 -2.026 1.00 0.00 C ATOM 459 O CYS A 34 -6.601 0.447 -1.374 1.00 0.00 O ATOM 460 CB CYS A 34 -4.070 -1.615 -0.871 1.00 0.00 C ATOM 461 SG CYS A 34 -2.849 -1.843 0.446 1.00 0.00 S ATOM 0 H CYS A 34 -4.867 0.833 0.221 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.567 -0.048 -2.273 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.031 -1.958 -0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.797 -2.282 -1.689 1.00 0.00 H new ATOM 465 N THR A 35 -5.974 -0.734 -3.180 1.00 0.00 N ATOM 466 CA THR A 35 -7.310 -0.798 -3.812 1.00 0.00 C ATOM 467 C THR A 35 -7.491 -2.109 -4.598 1.00 0.00 C ATOM 468 O THR A 35 -6.497 -2.739 -4.985 1.00 0.00 O ATOM 469 CB THR A 35 -7.591 0.425 -4.728 1.00 0.00 C ATOM 470 OG1 THR A 35 -6.417 1.074 -5.158 1.00 0.00 O ATOM 471 CG2 THR A 35 -8.435 1.485 -4.018 1.00 0.00 C ATOM 0 H THR A 35 -5.253 -1.214 -3.719 1.00 0.00 H new ATOM 0 HA THR A 35 -8.038 -0.772 -3.001 1.00 0.00 H new ATOM 0 HB THR A 35 -8.120 0.006 -5.584 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.654 1.833 -5.731 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.609 2.323 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.391 1.052 -3.724 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.907 1.836 -3.131 1.00 0.00 H new ATOM 479 N PRO A 36 -8.744 -2.562 -4.814 1.00 0.00 N ATOM 480 CA PRO A 36 -9.039 -3.825 -5.492 1.00 0.00 C ATOM 481 C PRO A 36 -8.744 -3.773 -7.002 1.00 0.00 C ATOM 482 O PRO A 36 -8.569 -2.697 -7.587 1.00 0.00 O ATOM 483 CB PRO A 36 -10.527 -4.089 -5.210 1.00 0.00 C ATOM 484 CG PRO A 36 -11.115 -2.689 -5.066 1.00 0.00 C ATOM 485 CD PRO A 36 -9.983 -1.916 -4.394 1.00 0.00 C ATOM 0 HA PRO A 36 -8.402 -4.628 -5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.998 -4.641 -6.024 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.666 -4.678 -4.303 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.380 -2.260 -6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.020 -2.691 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.996 -0.868 -4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.086 -1.939 -3.309 1.00 0.00 H new ATOM 490 N LYS A 37 -8.703 -4.952 -7.640 1.00 0.00 N ATOM 491 CA LYS A 37 -8.636 -5.105 -9.103 1.00 0.00 C ATOM 492 C LYS A 37 -9.934 -4.636 -9.783 1.00 0.00 C ATOM 493 O LYS A 37 -9.855 -3.786 -10.698 1.00 0.00 O ATOM 494 CB LYS A 37 -8.283 -6.561 -9.465 1.00 0.00 C ATOM 495 CG LYS A 37 -7.963 -6.689 -10.965 1.00 0.00 C ATOM 496 CD LYS A 37 -7.572 -8.108 -11.396 1.00 0.00 C ATOM 497 CE LYS A 37 -8.818 -8.963 -11.653 1.00 0.00 C ATOM 498 NZ LYS A 37 -8.477 -10.229 -12.352 1.00 0.00 N ATOM 0 H LYS A 37 -8.716 -5.844 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.843 -4.461 -9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.426 -6.889 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.116 -7.216 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.832 -6.371 -11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.150 -6.007 -11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.964 -8.064 -12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.960 -8.572 -10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.306 -9.190 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.532 -8.397 -12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.343 -10.783 -12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.033 -10.012 -13.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.815 -10.780 -11.769 1.00 0.00 H new TER 508 LYS A 37