USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (96 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 17 HIS HE2 : A 17 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 98 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 128 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 158 HECFE :(H bumps) USER MOD NoAdj-H: A 128 HEC HAB : A 128 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 158 HEC HAC : A 158 HEC CAC : A 65 CYS SG :(H bumps) USER MOD Single : A 1 ALA N :NH3+ -141:sc= 0 (180deg=-0.0637) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.58 K(o=-2.6,f=-3.2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.8!) USER MOD Single : A 14 THR OG1 : rot -170:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 159:sc= -27.3! USER MOD Single : A 29 CYS SG : rot -56:sc= -33.1! USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.86 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0507 X(o=-0.051,f=-0.41) USER MOD Single : A 57 ASN : amide:sc= -0.557 K(o=-0.56,f=-3.8!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= -19.3! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HEC O2A : rot 166:sc= 0 USER MOD Single : A 98 HEC O2D : rot -140:sc= 0.328 USER MOD Single : A 128 HEC O2A : rot 166:sc= 0 USER MOD Single : A 128 HEC O2D : rot -140:sc= -0.643 USER MOD Single : A 158 HEC O2A : rot 166:sc= 0 USER MOD Single : A 158 HEC O2D : rot 125:sc= 0.651 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.809 -7.326 11.204 1.00 10.00 N ATOM 2 CA ALA A 1 4.837 -8.310 10.914 1.00 10.00 C ATOM 3 C ALA A 1 6.146 -7.592 10.582 1.00 10.00 C ATOM 4 O ALA A 1 7.124 -7.702 11.320 1.00 10.00 O ATOM 5 CB ALA A 1 4.367 -9.220 9.778 1.00 10.00 C ATOM 0 H1 ALA A 1 3.219 -7.662 11.992 1.00 10.00 H new ATOM 0 H2 ALA A 1 4.256 -6.424 11.466 1.00 10.00 H new ATOM 0 H3 ALA A 1 3.215 -7.186 10.362 1.00 10.00 H new ATOM 0 HA ALA A 1 5.019 -8.942 11.784 1.00 10.00 H new ATOM 0 HB1 ALA A 1 5.139 -9.958 9.560 1.00 10.00 H new ATOM 0 HB2 ALA A 1 3.451 -9.730 10.076 1.00 10.00 H new ATOM 0 HB3 ALA A 1 4.176 -8.621 8.887 1.00 10.00 H new ATOM 11 N ASP A 2 6.123 -6.871 9.471 1.00 10.00 N ATOM 12 CA ASP A 2 7.296 -6.134 9.031 1.00 10.00 C ATOM 13 C ASP A 2 7.114 -5.717 7.570 1.00 10.00 C ATOM 14 O ASP A 2 7.339 -4.562 7.218 1.00 10.00 O ATOM 15 CB ASP A 2 8.556 -6.998 9.123 1.00 10.00 C ATOM 16 CG ASP A 2 9.656 -6.442 10.029 1.00 10.00 C ATOM 17 OD1 ASP A 2 10.360 -5.520 9.566 1.00 10.00 O ATOM 18 OD2 ASP A 2 9.769 -6.953 11.164 1.00 10.00 O ATOM 0 H ASP A 2 5.310 -6.781 8.862 1.00 10.00 H new ATOM 0 HA ASP A 2 7.408 -5.263 9.676 1.00 10.00 H new ATOM 0 HB2 ASP A 2 8.274 -7.987 9.484 1.00 10.00 H new ATOM 0 HB3 ASP A 2 8.963 -7.128 8.120 1.00 10.00 H new ATOM 23 N VAL A 3 6.709 -6.684 6.759 1.00 10.00 N ATOM 24 CA VAL A 3 6.494 -6.432 5.344 1.00 10.00 C ATOM 25 C VAL A 3 5.290 -7.245 4.863 1.00 10.00 C ATOM 26 O VAL A 3 4.865 -8.185 5.532 1.00 10.00 O ATOM 27 CB VAL A 3 7.771 -6.734 4.559 1.00 10.00 C ATOM 28 CG1 VAL A 3 7.448 -7.147 3.123 1.00 10.00 C ATOM 29 CG2 VAL A 3 8.726 -5.538 4.584 1.00 10.00 C ATOM 0 H VAL A 3 6.524 -7.643 7.055 1.00 10.00 H new ATOM 0 HA VAL A 3 6.265 -5.380 5.174 1.00 10.00 H new ATOM 0 HB VAL A 3 8.271 -7.573 5.044 1.00 10.00 H new ATOM 0 HG11 VAL A 3 8.374 -7.356 2.587 1.00 10.00 H new ATOM 0 HG12 VAL A 3 6.825 -8.041 3.133 1.00 10.00 H new ATOM 0 HG13 VAL A 3 6.914 -6.339 2.623 1.00 10.00 H new ATOM 0 HG21 VAL A 3 9.626 -5.779 4.019 1.00 10.00 H new ATOM 0 HG22 VAL A 3 8.237 -4.673 4.136 1.00 10.00 H new ATOM 0 HG23 VAL A 3 8.996 -5.309 5.615 1.00 10.00 H new ATOM 39 N VAL A 4 4.775 -6.851 3.706 1.00 10.00 N ATOM 40 CA VAL A 4 3.630 -7.533 3.128 1.00 10.00 C ATOM 41 C VAL A 4 3.891 -7.788 1.642 1.00 10.00 C ATOM 42 O VAL A 4 3.805 -6.872 0.826 1.00 10.00 O ATOM 43 CB VAL A 4 2.357 -6.721 3.380 1.00 10.00 C ATOM 44 CG1 VAL A 4 1.248 -7.123 2.406 1.00 10.00 C ATOM 45 CG2 VAL A 4 1.893 -6.865 4.831 1.00 10.00 C ATOM 0 H VAL A 4 5.130 -6.069 3.155 1.00 10.00 H new ATOM 0 HA VAL A 4 3.482 -8.503 3.603 1.00 10.00 H new ATOM 0 HB VAL A 4 2.590 -5.670 3.206 1.00 10.00 H new ATOM 0 HG11 VAL A 4 0.355 -6.531 2.607 1.00 10.00 H new ATOM 0 HG12 VAL A 4 1.580 -6.944 1.383 1.00 10.00 H new ATOM 0 HG13 VAL A 4 1.018 -8.181 2.533 1.00 10.00 H new ATOM 0 HG21 VAL A 4 0.987 -6.278 4.983 1.00 10.00 H new ATOM 0 HG22 VAL A 4 1.686 -7.914 5.045 1.00 10.00 H new ATOM 0 HG23 VAL A 4 2.675 -6.506 5.500 1.00 10.00 H new ATOM 55 N THR A 5 4.204 -9.039 1.336 1.00 10.00 N ATOM 56 CA THR A 5 4.478 -9.427 -0.037 1.00 10.00 C ATOM 57 C THR A 5 3.534 -10.549 -0.473 1.00 10.00 C ATOM 58 O THR A 5 3.570 -11.646 0.083 1.00 10.00 O ATOM 59 CB THR A 5 5.957 -9.805 -0.135 1.00 10.00 C ATOM 60 OG1 THR A 5 6.642 -8.662 0.369 1.00 10.00 O ATOM 61 CG2 THR A 5 6.438 -9.918 -1.583 1.00 10.00 C ATOM 0 H THR A 5 4.274 -9.797 2.015 1.00 10.00 H new ATOM 0 HA THR A 5 4.292 -8.603 -0.725 1.00 10.00 H new ATOM 0 HB THR A 5 6.124 -10.752 0.378 1.00 10.00 H new ATOM 0 HG1 THR A 5 7.609 -8.822 0.343 1.00 10.00 H new ATOM 0 HG21 THR A 5 7.494 -10.188 -1.596 1.00 10.00 H new ATOM 0 HG22 THR A 5 5.861 -10.685 -2.099 1.00 10.00 H new ATOM 0 HG23 THR A 5 6.302 -8.961 -2.087 1.00 10.00 H new ATOM 69 N TYR A 6 2.710 -10.236 -1.462 1.00 10.00 N ATOM 70 CA TYR A 6 1.758 -11.204 -1.978 1.00 10.00 C ATOM 71 C TYR A 6 2.098 -11.594 -3.418 1.00 10.00 C ATOM 72 O TYR A 6 2.362 -10.729 -4.253 1.00 10.00 O ATOM 73 CB TYR A 6 0.396 -10.507 -1.959 1.00 10.00 C ATOM 74 CG TYR A 6 -0.111 -10.170 -0.555 1.00 10.00 C ATOM 75 CD1 TYR A 6 -0.218 -11.163 0.397 1.00 10.00 C ATOM 76 CD2 TYR A 6 -0.460 -8.872 -0.241 1.00 10.00 C ATOM 77 CE1 TYR A 6 -0.696 -10.845 1.718 1.00 10.00 C ATOM 78 CE2 TYR A 6 -0.937 -8.554 1.080 1.00 10.00 C ATOM 79 CZ TYR A 6 -1.031 -9.556 1.994 1.00 10.00 C ATOM 80 OH TYR A 6 -1.481 -9.256 3.242 1.00 10.00 O ATOM 0 H TYR A 6 2.682 -9.325 -1.920 1.00 10.00 H new ATOM 0 HA TYR A 6 1.771 -12.113 -1.377 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.462 -9.588 -2.541 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.335 -11.146 -2.454 1.00 10.00 H new ATOM 0 HD1 TYR A 6 0.057 -12.178 0.152 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -0.375 -8.095 -0.986 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -0.786 -11.613 2.472 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -1.214 -7.543 1.339 1.00 10.00 H new ATOM 0 HH TYR A 6 -1.681 -8.298 3.296 1.00 10.00 H new ATOM 90 N GLU A 7 2.080 -12.895 -3.665 1.00 10.00 N ATOM 91 CA GLU A 7 2.383 -13.409 -4.990 1.00 10.00 C ATOM 92 C GLU A 7 1.205 -13.168 -5.935 1.00 10.00 C ATOM 93 O GLU A 7 0.106 -13.668 -5.705 1.00 10.00 O ATOM 94 CB GLU A 7 2.743 -14.895 -4.932 1.00 10.00 C ATOM 95 CG GLU A 7 4.065 -15.111 -4.191 1.00 10.00 C ATOM 96 CD GLU A 7 3.930 -16.210 -3.137 1.00 10.00 C ATOM 97 OE1 GLU A 7 3.468 -17.308 -3.518 1.00 10.00 O ATOM 98 OE2 GLU A 7 4.291 -15.929 -1.973 1.00 10.00 O ATOM 0 H GLU A 7 1.860 -13.609 -2.970 1.00 10.00 H new ATOM 0 HA GLU A 7 3.250 -12.873 -5.377 1.00 10.00 H new ATOM 0 HB2 GLU A 7 1.947 -15.446 -4.431 1.00 10.00 H new ATOM 0 HB3 GLU A 7 2.820 -15.294 -5.943 1.00 10.00 H new ATOM 0 HG2 GLU A 7 4.845 -15.379 -4.903 1.00 10.00 H new ATOM 0 HG3 GLU A 7 4.375 -14.181 -3.714 1.00 10.00 H new ATOM 105 N ASN A 8 1.475 -12.399 -6.980 1.00 10.00 N ATOM 106 CA ASN A 8 0.451 -12.084 -7.962 1.00 10.00 C ATOM 107 C ASN A 8 0.696 -12.906 -9.229 1.00 10.00 C ATOM 108 O ASN A 8 1.600 -13.739 -9.268 1.00 10.00 O ATOM 109 CB ASN A 8 0.490 -10.604 -8.344 1.00 10.00 C ATOM 110 CG ASN A 8 -0.185 -9.743 -7.274 1.00 10.00 C ATOM 111 OD1 ASN A 8 -1.274 -10.032 -6.805 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.519 -8.674 -6.916 1.00 10.00 N ATOM 0 H ASN A 8 2.388 -11.985 -7.168 1.00 10.00 H new ATOM 0 HA ASN A 8 -0.519 -12.317 -7.524 1.00 10.00 H new ATOM 0 HB2 ASN A 8 1.524 -10.285 -8.473 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -0.010 -10.459 -9.302 1.00 10.00 H new ATOM 0 HD21 ASN A 8 0.154 -8.037 -6.208 1.00 10.00 H new ATOM 0 HD22 ASN A 8 1.424 -8.491 -7.349 1.00 10.00 H new ATOM 119 N LYS A 9 -0.125 -12.642 -10.235 1.00 10.00 N ATOM 120 CA LYS A 9 -0.008 -13.346 -11.501 1.00 10.00 C ATOM 121 C LYS A 9 1.172 -12.776 -12.290 1.00 10.00 C ATOM 122 O LYS A 9 2.186 -13.448 -12.467 1.00 10.00 O ATOM 123 CB LYS A 9 -1.335 -13.304 -12.261 1.00 10.00 C ATOM 124 CG LYS A 9 -1.797 -14.713 -12.640 1.00 10.00 C ATOM 125 CD LYS A 9 -2.974 -15.155 -11.768 1.00 10.00 C ATOM 126 CE LYS A 9 -3.798 -16.238 -12.469 1.00 10.00 C ATOM 127 NZ LYS A 9 -3.535 -17.563 -11.864 1.00 10.00 N ATOM 0 H LYS A 9 -0.874 -11.950 -10.199 1.00 10.00 H new ATOM 0 HA LYS A 9 0.203 -14.402 -11.332 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.095 -12.822 -11.646 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.223 -12.700 -13.161 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -2.089 -14.734 -13.690 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -0.971 -15.414 -12.525 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -2.604 -15.534 -10.815 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -3.608 -14.297 -11.545 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -4.859 -16.002 -12.394 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -3.551 -16.261 -13.530 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -4.102 -18.286 -12.351 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -2.525 -17.793 -11.958 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -3.793 -17.542 -10.857 1.00 10.00 H new ATOM 141 N LYS A 10 0.999 -11.544 -12.744 1.00 10.00 N ATOM 142 CA LYS A 10 2.037 -10.876 -13.511 1.00 10.00 C ATOM 143 C LYS A 10 2.806 -9.921 -12.596 1.00 10.00 C ATOM 144 O LYS A 10 2.875 -8.723 -12.861 1.00 10.00 O ATOM 145 CB LYS A 10 1.439 -10.197 -14.745 1.00 10.00 C ATOM 146 CG LYS A 10 0.942 -11.234 -15.754 1.00 10.00 C ATOM 147 CD LYS A 10 2.104 -11.803 -16.572 1.00 10.00 C ATOM 148 CE LYS A 10 2.231 -13.314 -16.367 1.00 10.00 C ATOM 149 NZ LYS A 10 1.659 -14.042 -17.523 1.00 10.00 N ATOM 0 H LYS A 10 0.155 -10.990 -12.596 1.00 10.00 H new ATOM 0 HA LYS A 10 2.756 -11.602 -13.892 1.00 10.00 H new ATOM 0 HB2 LYS A 10 0.614 -9.551 -14.445 1.00 10.00 H new ATOM 0 HB3 LYS A 10 2.189 -9.559 -15.213 1.00 10.00 H new ATOM 0 HG2 LYS A 10 0.432 -12.042 -15.229 1.00 10.00 H new ATOM 0 HG3 LYS A 10 0.212 -10.776 -16.422 1.00 10.00 H new ATOM 0 HD2 LYS A 10 1.949 -11.588 -17.629 1.00 10.00 H new ATOM 0 HD3 LYS A 10 3.033 -11.313 -16.280 1.00 10.00 H new ATOM 0 HE2 LYS A 10 3.280 -13.584 -16.242 1.00 10.00 H new ATOM 0 HE3 LYS A 10 1.715 -13.608 -15.453 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 1.753 -15.066 -17.369 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 0.653 -13.798 -17.624 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 2.169 -13.774 -18.389 1.00 10.00 H new ATOM 163 N GLY A 11 3.366 -10.489 -11.538 1.00 10.00 N ATOM 164 CA GLY A 11 4.128 -9.703 -10.582 1.00 10.00 C ATOM 165 C GLY A 11 3.835 -10.150 -9.148 1.00 10.00 C ATOM 166 O GLY A 11 3.431 -11.290 -8.919 1.00 10.00 O ATOM 0 H GLY A 11 3.307 -11.484 -11.322 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.193 -9.806 -10.788 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.882 -8.647 -10.695 1.00 10.00 H new ATOM 170 N ASN A 12 4.052 -9.230 -8.220 1.00 10.00 N ATOM 171 CA ASN A 12 3.815 -9.514 -6.814 1.00 10.00 C ATOM 172 C ASN A 12 4.094 -8.256 -5.990 1.00 10.00 C ATOM 173 O ASN A 12 5.232 -7.791 -5.925 1.00 10.00 O ATOM 174 CB ASN A 12 4.743 -10.623 -6.314 1.00 10.00 C ATOM 175 CG ASN A 12 6.202 -10.317 -6.664 1.00 10.00 C ATOM 176 OD1 ASN A 12 6.870 -9.528 -6.016 1.00 10.00 O ATOM 177 ND2 ASN A 12 6.655 -10.983 -7.722 1.00 10.00 N ATOM 0 H ASN A 12 4.389 -8.287 -8.414 1.00 10.00 H new ATOM 0 HA ASN A 12 2.779 -9.833 -6.703 1.00 10.00 H new ATOM 0 HB2 ASN A 12 4.639 -10.730 -5.234 1.00 10.00 H new ATOM 0 HB3 ASN A 12 4.451 -11.575 -6.758 1.00 10.00 H new ATOM 0 HD21 ASN A 12 7.616 -10.848 -8.037 1.00 10.00 H new ATOM 0 HD22 ASN A 12 6.042 -11.629 -8.219 1.00 10.00 H new ATOM 184 N VAL A 13 3.037 -7.740 -5.380 1.00 10.00 N ATOM 185 CA VAL A 13 3.154 -6.545 -4.563 1.00 10.00 C ATOM 186 C VAL A 13 4.269 -6.743 -3.534 1.00 10.00 C ATOM 187 O VAL A 13 4.486 -7.854 -3.054 1.00 10.00 O ATOM 188 CB VAL A 13 1.803 -6.214 -3.924 1.00 10.00 C ATOM 189 CG1 VAL A 13 1.404 -7.280 -2.901 1.00 10.00 C ATOM 190 CG2 VAL A 13 1.824 -4.823 -3.288 1.00 10.00 C ATOM 0 H VAL A 13 2.095 -8.128 -5.435 1.00 10.00 H new ATOM 0 HA VAL A 13 3.427 -5.687 -5.178 1.00 10.00 H new ATOM 0 HB VAL A 13 1.051 -6.210 -4.713 1.00 10.00 H new ATOM 0 HG11 VAL A 13 0.441 -7.021 -2.462 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.329 -8.249 -3.395 1.00 10.00 H new ATOM 0 HG13 VAL A 13 2.158 -7.331 -2.116 1.00 10.00 H new ATOM 0 HG21 VAL A 13 0.852 -4.613 -2.841 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.593 -4.787 -2.517 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.041 -4.077 -4.052 1.00 10.00 H new ATOM 200 N THR A 14 4.947 -5.648 -3.225 1.00 10.00 N ATOM 201 CA THR A 14 6.034 -5.687 -2.262 1.00 10.00 C ATOM 202 C THR A 14 5.730 -4.769 -1.076 1.00 10.00 C ATOM 203 O THR A 14 6.644 -4.270 -0.422 1.00 10.00 O ATOM 204 CB THR A 14 7.328 -5.324 -2.995 1.00 10.00 C ATOM 205 OG1 THR A 14 7.368 -6.228 -4.095 1.00 10.00 O ATOM 206 CG2 THR A 14 8.577 -5.671 -2.183 1.00 10.00 C ATOM 0 H THR A 14 4.765 -4.728 -3.625 1.00 10.00 H new ATOM 0 HA THR A 14 6.151 -6.685 -1.839 1.00 10.00 H new ATOM 0 HB THR A 14 7.329 -4.259 -3.225 1.00 10.00 H new ATOM 0 HG1 THR A 14 8.243 -6.173 -4.532 1.00 10.00 H new ATOM 0 HG21 THR A 14 9.467 -5.393 -2.748 1.00 10.00 H new ATOM 0 HG22 THR A 14 8.561 -5.125 -1.240 1.00 10.00 H new ATOM 0 HG23 THR A 14 8.594 -6.742 -1.982 1.00 10.00 H new ATOM 214 N PHE A 15 4.441 -4.574 -0.835 1.00 10.00 N ATOM 215 CA PHE A 15 4.005 -3.725 0.260 1.00 10.00 C ATOM 216 C PHE A 15 4.864 -3.952 1.505 1.00 10.00 C ATOM 217 O PHE A 15 5.584 -4.945 1.595 1.00 10.00 O ATOM 218 CB PHE A 15 2.559 -4.110 0.576 1.00 10.00 C ATOM 219 CG PHE A 15 1.793 -3.053 1.375 1.00 10.00 C ATOM 220 CD1 PHE A 15 2.009 -1.732 1.135 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.898 -3.436 2.324 1.00 10.00 C ATOM 222 CE1 PHE A 15 1.298 -0.751 1.877 1.00 10.00 C ATOM 223 CE2 PHE A 15 0.187 -2.454 3.066 1.00 10.00 C ATOM 224 CZ PHE A 15 0.403 -1.133 2.826 1.00 10.00 C ATOM 0 H PHE A 15 3.685 -4.990 -1.380 1.00 10.00 H new ATOM 0 HA PHE A 15 4.094 -2.676 -0.024 1.00 10.00 H new ATOM 0 HB2 PHE A 15 2.031 -4.297 -0.359 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.557 -5.045 1.135 1.00 10.00 H new ATOM 0 HD1 PHE A 15 2.720 -1.429 0.381 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.727 -4.485 2.514 1.00 10.00 H new ATOM 0 HE1 PHE A 15 1.469 0.298 1.687 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -0.524 -2.757 3.820 1.00 10.00 H new ATOM 0 HZ PHE A 15 -0.137 -0.387 3.390 1.00 10.00 H new ATOM 234 N ASP A 16 4.762 -3.013 2.435 1.00 10.00 N ATOM 235 CA ASP A 16 5.520 -3.099 3.671 1.00 10.00 C ATOM 236 C ASP A 16 4.619 -2.709 4.845 1.00 10.00 C ATOM 237 O ASP A 16 3.566 -2.105 4.650 1.00 10.00 O ATOM 238 CB ASP A 16 6.713 -2.141 3.652 1.00 10.00 C ATOM 239 CG ASP A 16 7.399 -1.988 2.293 1.00 10.00 C ATOM 240 OD1 ASP A 16 7.384 -2.983 1.536 1.00 10.00 O ATOM 241 OD2 ASP A 16 7.923 -0.881 2.042 1.00 10.00 O ATOM 0 H ASP A 16 4.166 -2.189 2.357 1.00 10.00 H new ATOM 0 HA ASP A 16 5.880 -4.122 3.776 1.00 10.00 H new ATOM 0 HB2 ASP A 16 6.376 -1.159 3.985 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.450 -2.488 4.377 1.00 10.00 H new ATOM 246 N HIS A 17 5.067 -3.071 6.038 1.00 10.00 N ATOM 247 CA HIS A 17 4.315 -2.768 7.244 1.00 10.00 C ATOM 248 C HIS A 17 5.175 -1.924 8.187 1.00 10.00 C ATOM 249 O HIS A 17 4.728 -0.891 8.684 1.00 10.00 O ATOM 250 CB HIS A 17 3.798 -4.050 7.899 1.00 10.00 C ATOM 251 CG HIS A 17 2.347 -3.988 8.311 1.00 10.00 C ATOM 252 ND1 HIS A 17 1.819 -4.773 9.321 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.318 -3.226 7.838 1.00 10.00 C ATOM 254 CE1 HIS A 17 0.530 -4.489 9.442 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.222 -3.530 8.522 1.00 10.00 N ATOM 0 H HIS A 17 5.942 -3.572 6.195 1.00 10.00 H new ATOM 0 HA HIS A 17 3.434 -2.180 6.989 1.00 10.00 H new ATOM 0 HB2 HIS A 17 3.933 -4.880 7.205 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.405 -4.267 8.778 1.00 10.00 H new ATOM 0 HD1 HIS A 17 2.334 -5.455 9.878 1.00 10.00 H new ATOM 0 HD2 HIS A 17 1.384 -2.499 7.042 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -0.156 -4.938 10.145 1.00 10.00 H new ATOM 263 N LYS A 18 6.394 -2.396 8.405 1.00 10.00 N ATOM 264 CA LYS A 18 7.321 -1.697 9.280 1.00 10.00 C ATOM 265 C LYS A 18 8.147 -0.710 8.455 1.00 10.00 C ATOM 266 O LYS A 18 8.395 0.414 8.891 1.00 10.00 O ATOM 267 CB LYS A 18 8.167 -2.697 10.070 1.00 10.00 C ATOM 268 CG LYS A 18 8.983 -1.990 11.153 1.00 10.00 C ATOM 269 CD LYS A 18 8.176 -1.851 12.446 1.00 10.00 C ATOM 270 CE LYS A 18 7.680 -0.416 12.634 1.00 10.00 C ATOM 271 NZ LYS A 18 8.282 0.186 13.844 1.00 10.00 N ATOM 0 H LYS A 18 6.761 -3.253 7.991 1.00 10.00 H new ATOM 0 HA LYS A 18 6.778 -1.115 10.025 1.00 10.00 H new ATOM 0 HB2 LYS A 18 7.519 -3.445 10.528 1.00 10.00 H new ATOM 0 HB3 LYS A 18 8.837 -3.227 9.393 1.00 10.00 H new ATOM 0 HG2 LYS A 18 9.897 -2.551 11.349 1.00 10.00 H new ATOM 0 HG3 LYS A 18 9.284 -1.004 10.800 1.00 10.00 H new ATOM 0 HD2 LYS A 18 7.326 -2.533 12.423 1.00 10.00 H new ATOM 0 HD3 LYS A 18 8.793 -2.140 13.297 1.00 10.00 H new ATOM 0 HE2 LYS A 18 7.935 0.181 11.758 1.00 10.00 H new ATOM 0 HE3 LYS A 18 6.593 -0.409 12.719 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 7.935 1.160 13.957 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 8.018 -0.375 14.679 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 9.318 0.197 13.748 1.00 10.00 H new ATOM 285 N ALA A 19 8.551 -1.163 7.278 1.00 10.00 N ATOM 286 CA ALA A 19 9.345 -0.333 6.389 1.00 10.00 C ATOM 287 C ALA A 19 8.561 0.936 6.046 1.00 10.00 C ATOM 288 O ALA A 19 9.148 1.997 5.844 1.00 10.00 O ATOM 289 CB ALA A 19 9.726 -1.137 5.144 1.00 10.00 C ATOM 0 H ALA A 19 8.343 -2.095 6.919 1.00 10.00 H new ATOM 0 HA ALA A 19 10.271 -0.027 6.876 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.322 -0.514 4.477 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.306 -2.011 5.439 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.822 -1.459 4.628 1.00 10.00 H new ATOM 295 N HIS A 20 7.246 0.782 5.991 1.00 10.00 N ATOM 296 CA HIS A 20 6.375 1.902 5.677 1.00 10.00 C ATOM 297 C HIS A 20 6.112 2.721 6.943 1.00 10.00 C ATOM 298 O HIS A 20 6.465 3.897 7.010 1.00 10.00 O ATOM 299 CB HIS A 20 5.087 1.417 5.007 1.00 10.00 C ATOM 300 CG HIS A 20 5.136 1.436 3.498 1.00 10.00 C ATOM 301 ND1 HIS A 20 6.202 0.930 2.776 1.00 10.00 N ATOM 302 CD2 HIS A 20 4.238 1.904 2.583 1.00 10.00 C ATOM 303 CE1 HIS A 20 5.948 1.092 1.485 1.00 10.00 C ATOM 304 NE2 HIS A 20 4.730 1.696 1.368 1.00 10.00 N ATOM 0 H HIS A 20 6.763 -0.101 6.158 1.00 10.00 H new ATOM 0 HA HIS A 20 6.866 2.558 4.958 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.876 0.401 5.341 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.258 2.041 5.341 1.00 10.00 H new ATOM 0 HD1 HIS A 20 7.041 0.504 3.170 1.00 10.00 H new ATOM 0 HD2 HIS A 20 3.288 2.365 2.809 1.00 10.00 H new ATOM 0 HE1 HIS A 20 6.592 0.798 0.669 1.00 10.00 H new ATOM 312 N ALA A 21 5.496 2.065 7.915 1.00 10.00 N ATOM 313 CA ALA A 21 5.182 2.716 9.176 1.00 10.00 C ATOM 314 C ALA A 21 6.400 3.513 9.649 1.00 10.00 C ATOM 315 O ALA A 21 6.257 4.509 10.357 1.00 10.00 O ATOM 316 CB ALA A 21 4.740 1.667 10.196 1.00 10.00 C ATOM 0 H ALA A 21 5.206 1.089 7.855 1.00 10.00 H new ATOM 0 HA ALA A 21 4.356 3.417 9.052 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.505 2.155 11.142 1.00 10.00 H new ATOM 0 HB2 ALA A 21 3.856 1.149 9.825 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.544 0.947 10.350 1.00 10.00 H new ATOM 322 N GLU A 22 7.569 3.045 9.239 1.00 10.00 N ATOM 323 CA GLU A 22 8.811 3.701 9.613 1.00 10.00 C ATOM 324 C GLU A 22 8.660 5.220 9.507 1.00 10.00 C ATOM 325 O GLU A 22 9.019 5.949 10.431 1.00 10.00 O ATOM 326 CB GLU A 22 9.974 3.204 8.753 1.00 10.00 C ATOM 327 CG GLU A 22 10.583 1.929 9.338 1.00 10.00 C ATOM 328 CD GLU A 22 11.944 2.215 9.979 1.00 10.00 C ATOM 329 OE1 GLU A 22 12.783 2.821 9.279 1.00 10.00 O ATOM 330 OE2 GLU A 22 12.113 1.820 11.152 1.00 10.00 O ATOM 0 H GLU A 22 7.683 2.219 8.651 1.00 10.00 H new ATOM 0 HA GLU A 22 9.036 3.449 10.649 1.00 10.00 H new ATOM 0 HB2 GLU A 22 9.625 3.012 7.739 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.738 3.978 8.686 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.908 1.508 10.083 1.00 10.00 H new ATOM 0 HG3 GLU A 22 10.697 1.182 8.552 1.00 10.00 H new ATOM 337 N LYS A 23 8.130 5.654 8.373 1.00 10.00 N ATOM 338 CA LYS A 23 7.928 7.072 8.135 1.00 10.00 C ATOM 339 C LYS A 23 6.448 7.411 8.325 1.00 10.00 C ATOM 340 O LYS A 23 6.108 8.533 8.697 1.00 10.00 O ATOM 341 CB LYS A 23 8.477 7.469 6.764 1.00 10.00 C ATOM 342 CG LYS A 23 9.996 7.287 6.708 1.00 10.00 C ATOM 343 CD LYS A 23 10.716 8.497 7.305 1.00 10.00 C ATOM 344 CE LYS A 23 12.090 8.691 6.660 1.00 10.00 C ATOM 345 NZ LYS A 23 12.406 10.132 6.537 1.00 10.00 N ATOM 0 H LYS A 23 7.834 5.047 7.608 1.00 10.00 H new ATOM 0 HA LYS A 23 8.487 7.663 8.860 1.00 10.00 H new ATOM 0 HB2 LYS A 23 8.006 6.863 5.990 1.00 10.00 H new ATOM 0 HB3 LYS A 23 8.224 8.508 6.554 1.00 10.00 H new ATOM 0 HG2 LYS A 23 10.278 6.386 7.253 1.00 10.00 H new ATOM 0 HG3 LYS A 23 10.311 7.146 5.674 1.00 10.00 H new ATOM 0 HD2 LYS A 23 10.112 9.393 7.159 1.00 10.00 H new ATOM 0 HD3 LYS A 23 10.831 8.362 8.380 1.00 10.00 H new ATOM 0 HE2 LYS A 23 12.853 8.195 7.260 1.00 10.00 H new ATOM 0 HE3 LYS A 23 12.105 8.224 5.675 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 13.342 10.246 6.097 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 11.687 10.596 5.946 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 12.412 10.568 7.481 1.00 10.00 H new ATOM 359 N LEU A 24 5.608 6.421 8.062 1.00 10.00 N ATOM 360 CA LEU A 24 4.173 6.600 8.200 1.00 10.00 C ATOM 361 C LEU A 24 3.757 6.268 9.635 1.00 10.00 C ATOM 362 O LEU A 24 4.124 6.976 10.571 1.00 10.00 O ATOM 363 CB LEU A 24 3.427 5.788 7.140 1.00 10.00 C ATOM 364 CG LEU A 24 3.792 6.087 5.686 1.00 10.00 C ATOM 365 CD1 LEU A 24 5.026 5.293 5.255 1.00 10.00 C ATOM 366 CD2 LEU A 24 2.600 5.842 4.759 1.00 10.00 C ATOM 0 H LEU A 24 5.894 5.492 7.754 1.00 10.00 H new ATOM 0 HA LEU A 24 3.900 7.640 8.021 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.607 4.730 7.329 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.358 5.957 7.267 1.00 10.00 H new ATOM 0 HG LEU A 24 4.047 7.144 5.609 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.263 5.525 4.217 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.871 5.561 5.889 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.824 4.226 5.352 1.00 10.00 H new ATOM 0 HD21 LEU A 24 2.887 6.062 3.731 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.289 4.800 4.834 1.00 10.00 H new ATOM 0 HD23 LEU A 24 1.773 6.489 5.051 1.00 10.00 H new ATOM 378 N GLY A 25 2.997 5.190 9.762 1.00 10.00 N ATOM 379 CA GLY A 25 2.528 4.755 11.067 1.00 10.00 C ATOM 380 C GLY A 25 1.276 3.885 10.937 1.00 10.00 C ATOM 381 O GLY A 25 0.755 3.701 9.838 1.00 10.00 O ATOM 0 H GLY A 25 2.694 4.605 8.983 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.314 4.194 11.572 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.309 5.624 11.687 1.00 10.00 H new ATOM 385 N CYS A 26 0.829 3.374 12.075 1.00 10.00 N ATOM 386 CA CYS A 26 -0.352 2.527 12.103 1.00 10.00 C ATOM 387 C CYS A 26 -1.588 3.429 12.141 1.00 10.00 C ATOM 388 O CYS A 26 -2.712 2.942 12.244 1.00 10.00 O ATOM 389 CB CYS A 26 -0.321 1.550 13.280 1.00 10.00 C ATOM 390 SG CYS A 26 1.348 1.214 13.954 1.00 10.00 S ATOM 0 H CYS A 26 1.263 3.530 12.985 1.00 10.00 H new ATOM 0 HA CYS A 26 -0.381 1.909 11.206 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -0.948 1.946 14.079 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -0.766 0.607 12.963 1.00 10.00 H new ATOM 0 HG CYS A 26 1.243 0.764 15.169 1.00 10.00 H new ATOM 395 N ASP A 27 -1.337 4.727 12.056 1.00 10.00 N ATOM 396 CA ASP A 27 -2.415 5.700 12.081 1.00 10.00 C ATOM 397 C ASP A 27 -2.572 6.315 10.688 1.00 10.00 C ATOM 398 O ASP A 27 -3.279 7.308 10.520 1.00 10.00 O ATOM 399 CB ASP A 27 -2.114 6.831 13.066 1.00 10.00 C ATOM 400 CG ASP A 27 -3.019 6.873 14.299 1.00 10.00 C ATOM 401 OD1 ASP A 27 -4.243 7.031 14.099 1.00 10.00 O ATOM 402 OD2 ASP A 27 -2.468 6.746 15.412 1.00 10.00 O ATOM 0 H ASP A 27 -0.403 5.127 11.970 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.326 5.187 12.389 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -1.079 6.739 13.396 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -2.197 7.782 12.540 1.00 10.00 H new ATOM 407 N ALA A 28 -1.903 5.700 9.725 1.00 10.00 N ATOM 408 CA ALA A 28 -1.958 6.174 8.353 1.00 10.00 C ATOM 409 C ALA A 28 -3.133 5.506 7.635 1.00 10.00 C ATOM 410 O ALA A 28 -4.021 6.186 7.123 1.00 10.00 O ATOM 411 CB ALA A 28 -0.621 5.900 7.662 1.00 10.00 C ATOM 0 H ALA A 28 -1.319 4.876 9.868 1.00 10.00 H new ATOM 0 HA ALA A 28 -2.123 7.251 8.326 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -0.664 6.256 6.633 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.176 6.420 8.193 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -0.422 4.828 7.667 1.00 10.00 H new ATOM 417 N CYS A 29 -3.101 4.181 7.621 1.00 10.00 N ATOM 418 CA CYS A 29 -4.151 3.414 6.975 1.00 10.00 C ATOM 419 C CYS A 29 -5.232 3.107 8.014 1.00 10.00 C ATOM 420 O CYS A 29 -6.411 3.008 7.678 1.00 10.00 O ATOM 421 CB CYS A 29 -3.605 2.140 6.327 1.00 10.00 C ATOM 422 SG CYS A 29 -1.973 2.329 5.520 1.00 10.00 S ATOM 0 H CYS A 29 -2.364 3.620 8.047 1.00 10.00 H new ATOM 0 HA CYS A 29 -4.584 3.999 6.164 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -3.530 1.365 7.089 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -4.323 1.790 5.586 1.00 10.00 H new ATOM 0 HG CYS A 29 -2.034 3.280 4.635 1.00 10.00 H new ATOM 427 N HIS A 30 -4.791 2.966 9.255 1.00 10.00 N ATOM 428 CA HIS A 30 -5.705 2.673 10.345 1.00 10.00 C ATOM 429 C HIS A 30 -5.982 3.951 11.140 1.00 10.00 C ATOM 430 O HIS A 30 -5.705 5.053 10.669 1.00 10.00 O ATOM 431 CB HIS A 30 -5.165 1.537 11.217 1.00 10.00 C ATOM 432 CG HIS A 30 -4.057 0.741 10.570 1.00 10.00 C ATOM 433 ND1 HIS A 30 -2.808 1.273 10.303 1.00 10.00 N ATOM 434 CD2 HIS A 30 -4.024 -0.553 10.142 1.00 10.00 C ATOM 435 CE1 HIS A 30 -2.064 0.334 9.739 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.820 -0.798 9.639 1.00 10.00 N ATOM 0 H HIS A 30 -3.812 3.049 9.530 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.656 2.323 9.943 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -4.799 1.955 12.155 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.985 0.863 11.467 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -2.511 2.227 10.506 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -4.839 -1.259 10.202 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -1.040 0.444 9.415 1.00 10.00 H new ATOM 444 N GLU A 31 -6.525 3.760 12.334 1.00 10.00 N ATOM 445 CA GLU A 31 -6.843 4.884 13.199 1.00 10.00 C ATOM 446 C GLU A 31 -7.462 4.387 14.508 1.00 10.00 C ATOM 447 O GLU A 31 -8.684 4.329 14.636 1.00 10.00 O ATOM 448 CB GLU A 31 -7.771 5.874 12.494 1.00 10.00 C ATOM 449 CG GLU A 31 -9.095 5.209 12.114 1.00 10.00 C ATOM 450 CD GLU A 31 -9.502 5.571 10.685 1.00 10.00 C ATOM 451 OE1 GLU A 31 -8.795 5.113 9.761 1.00 10.00 O ATOM 452 OE2 GLU A 31 -10.509 6.298 10.547 1.00 10.00 O ATOM 0 H GLU A 31 -6.753 2.845 12.722 1.00 10.00 H new ATOM 0 HA GLU A 31 -5.918 5.410 13.434 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -7.962 6.726 13.146 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -7.284 6.260 11.599 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.002 4.127 12.206 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.875 5.522 12.808 1.00 10.00 H new ATOM 459 N GLY A 32 -6.591 4.043 15.444 1.00 10.00 N ATOM 460 CA GLY A 32 -7.038 3.554 16.737 1.00 10.00 C ATOM 461 C GLY A 32 -7.352 2.058 16.679 1.00 10.00 C ATOM 462 O GLY A 32 -8.475 1.667 16.361 1.00 10.00 O ATOM 0 H GLY A 32 -5.578 4.093 15.333 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -6.268 3.739 17.486 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -7.926 4.104 17.051 1.00 10.00 H new ATOM 466 N THR A 33 -6.341 1.261 16.991 1.00 10.00 N ATOM 467 CA THR A 33 -6.496 -0.184 16.978 1.00 10.00 C ATOM 468 C THR A 33 -6.805 -0.675 15.563 1.00 10.00 C ATOM 469 O THR A 33 -7.922 -0.511 15.075 1.00 10.00 O ATOM 470 CB THR A 33 -7.575 -0.553 17.998 1.00 10.00 C ATOM 471 OG1 THR A 33 -7.105 0.012 19.219 1.00 10.00 O ATOM 472 CG2 THR A 33 -7.625 -2.057 18.279 1.00 10.00 C ATOM 0 H THR A 33 -5.411 1.588 17.254 1.00 10.00 H new ATOM 0 HA THR A 33 -5.571 -0.683 17.266 1.00 10.00 H new ATOM 0 HB THR A 33 -8.547 -0.219 17.636 1.00 10.00 H new ATOM 0 HG1 THR A 33 -7.746 -0.178 19.936 1.00 10.00 H new ATOM 0 HG21 THR A 33 -8.407 -2.265 19.009 1.00 10.00 H new ATOM 0 HG22 THR A 33 -7.840 -2.593 17.354 1.00 10.00 H new ATOM 0 HG23 THR A 33 -6.664 -2.386 18.674 1.00 10.00 H new ATOM 480 N PRO A 34 -5.768 -1.283 14.926 1.00 10.00 N ATOM 481 CA PRO A 34 -5.918 -1.798 13.575 1.00 10.00 C ATOM 482 C PRO A 34 -6.728 -3.097 13.571 1.00 10.00 C ATOM 483 O PRO A 34 -7.359 -3.442 14.568 1.00 10.00 O ATOM 484 CB PRO A 34 -4.498 -1.982 13.064 1.00 10.00 C ATOM 485 CG PRO A 34 -3.611 -2.005 14.298 1.00 10.00 C ATOM 486 CD PRO A 34 -4.431 -1.495 15.472 1.00 10.00 C ATOM 0 HA PRO A 34 -6.476 -1.122 12.926 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -4.404 -2.909 12.498 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -4.215 -1.169 12.395 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.254 -3.016 14.493 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -2.731 -1.380 14.147 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -4.446 -2.218 16.288 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.016 -0.570 15.873 1.00 10.00 H new ATOM 494 N ALA A 35 -6.683 -3.781 12.437 1.00 10.00 N ATOM 495 CA ALA A 35 -7.404 -5.033 12.289 1.00 10.00 C ATOM 496 C ALA A 35 -7.255 -5.536 10.852 1.00 10.00 C ATOM 497 O ALA A 35 -6.858 -6.678 10.628 1.00 10.00 O ATOM 498 CB ALA A 35 -8.867 -4.829 12.688 1.00 10.00 C ATOM 0 H ALA A 35 -6.158 -3.491 11.612 1.00 10.00 H new ATOM 0 HA ALA A 35 -6.990 -5.795 12.949 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -9.409 -5.768 12.577 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -8.919 -4.501 13.726 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.317 -4.072 12.045 1.00 10.00 H new ATOM 504 N LYS A 36 -7.582 -4.659 9.915 1.00 10.00 N ATOM 505 CA LYS A 36 -7.490 -5.000 8.505 1.00 10.00 C ATOM 506 C LYS A 36 -7.954 -3.807 7.666 1.00 10.00 C ATOM 507 O LYS A 36 -8.655 -2.928 8.164 1.00 10.00 O ATOM 508 CB LYS A 36 -8.256 -6.292 8.216 1.00 10.00 C ATOM 509 CG LYS A 36 -9.767 -6.059 8.277 1.00 10.00 C ATOM 510 CD LYS A 36 -10.418 -6.322 6.918 1.00 10.00 C ATOM 511 CE LYS A 36 -10.627 -7.820 6.691 1.00 10.00 C ATOM 512 NZ LYS A 36 -12.071 -8.139 6.627 1.00 10.00 N ATOM 0 H LYS A 36 -7.911 -3.712 10.104 1.00 10.00 H new ATOM 0 HA LYS A 36 -6.456 -5.202 8.227 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -7.982 -6.669 7.231 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -7.973 -7.056 8.940 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -10.209 -6.713 9.029 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.968 -5.034 8.588 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -11.376 -5.805 6.864 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -9.791 -5.914 6.125 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -10.140 -8.125 5.765 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -10.159 -8.385 7.498 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -12.194 -9.160 6.472 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -12.527 -7.867 7.521 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -12.508 -7.615 5.842 1.00 10.00 H new ATOM 526 N ILE A 37 -7.546 -3.818 6.406 1.00 10.00 N ATOM 527 CA ILE A 37 -7.911 -2.748 5.491 1.00 10.00 C ATOM 528 C ILE A 37 -8.527 -3.352 4.228 1.00 10.00 C ATOM 529 O ILE A 37 -8.882 -2.627 3.299 1.00 10.00 O ATOM 530 CB ILE A 37 -6.709 -1.843 5.218 1.00 10.00 C ATOM 531 CG1 ILE A 37 -5.918 -1.579 6.501 1.00 10.00 C ATOM 532 CG2 ILE A 37 -7.144 -0.545 4.536 1.00 10.00 C ATOM 533 CD1 ILE A 37 -4.974 -0.387 6.328 1.00 10.00 C ATOM 0 H ILE A 37 -6.966 -4.550 5.996 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.668 -2.105 5.939 1.00 10.00 H new ATOM 0 HB ILE A 37 -6.041 -2.361 4.529 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -6.607 -1.386 7.324 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -5.344 -2.466 6.768 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.270 0.080 4.353 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -7.629 -0.777 3.588 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.843 -0.012 5.180 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -4.424 -0.221 7.254 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -4.271 -0.594 5.521 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -5.553 0.504 6.086 1.00 10.00 H new ATOM 545 N ALA A 38 -8.636 -4.672 4.233 1.00 10.00 N ATOM 546 CA ALA A 38 -9.203 -5.382 3.099 1.00 10.00 C ATOM 547 C ALA A 38 -8.646 -4.789 1.802 1.00 10.00 C ATOM 548 O ALA A 38 -9.186 -3.815 1.279 1.00 10.00 O ATOM 549 CB ALA A 38 -10.730 -5.310 3.164 1.00 10.00 C ATOM 0 H ALA A 38 -8.341 -5.269 5.005 1.00 10.00 H new ATOM 0 HA ALA A 38 -8.925 -6.435 3.127 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -11.156 -5.842 2.314 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.077 -5.769 4.090 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -11.047 -4.267 3.135 1.00 10.00 H new ATOM 555 N ILE A 39 -7.574 -5.401 1.323 1.00 10.00 N ATOM 556 CA ILE A 39 -6.939 -4.946 0.098 1.00 10.00 C ATOM 557 C ILE A 39 -7.287 -5.908 -1.040 1.00 10.00 C ATOM 558 O ILE A 39 -7.116 -7.119 -0.907 1.00 10.00 O ATOM 559 CB ILE A 39 -5.435 -4.763 0.310 1.00 10.00 C ATOM 560 CG1 ILE A 39 -5.152 -3.593 1.254 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.706 -4.612 -1.026 1.00 10.00 C ATOM 562 CD1 ILE A 39 -5.237 -2.258 0.512 1.00 10.00 C ATOM 0 H ILE A 39 -7.129 -6.208 1.760 1.00 10.00 H new ATOM 0 HA ILE A 39 -7.319 -3.965 -0.186 1.00 10.00 H new ATOM 0 HB ILE A 39 -5.046 -5.662 0.788 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.868 -3.603 2.076 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.161 -3.707 1.693 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.639 -4.483 -0.846 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.867 -5.504 -1.631 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -5.092 -3.741 -1.555 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -5.032 -1.443 1.206 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -4.503 -2.242 -0.294 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -6.237 -2.137 0.095 1.00 10.00 H new ATOM 574 N ASP A 40 -7.768 -5.333 -2.132 1.00 10.00 N ATOM 575 CA ASP A 40 -8.141 -6.124 -3.292 1.00 10.00 C ATOM 576 C ASP A 40 -8.004 -5.269 -4.553 1.00 10.00 C ATOM 577 O ASP A 40 -7.930 -4.043 -4.472 1.00 10.00 O ATOM 578 CB ASP A 40 -9.595 -6.592 -3.194 1.00 10.00 C ATOM 579 CG ASP A 40 -9.779 -8.036 -2.725 1.00 10.00 C ATOM 580 OD1 ASP A 40 -8.794 -8.798 -2.832 1.00 10.00 O ATOM 581 OD2 ASP A 40 -10.901 -8.346 -2.269 1.00 10.00 O ATOM 0 H ASP A 40 -7.908 -4.328 -2.238 1.00 10.00 H new ATOM 0 HA ASP A 40 -7.484 -6.993 -3.334 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -10.128 -5.933 -2.509 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -10.063 -6.481 -4.172 1.00 10.00 H new ATOM 586 N LYS A 41 -7.972 -5.949 -5.690 1.00 10.00 N ATOM 587 CA LYS A 41 -7.844 -5.267 -6.967 1.00 10.00 C ATOM 588 C LYS A 41 -9.142 -4.514 -7.269 1.00 10.00 C ATOM 589 O LYS A 41 -9.782 -4.759 -8.290 1.00 10.00 O ATOM 590 CB LYS A 41 -7.436 -6.253 -8.062 1.00 10.00 C ATOM 591 CG LYS A 41 -6.188 -7.038 -7.655 1.00 10.00 C ATOM 592 CD LYS A 41 -6.537 -8.492 -7.332 1.00 10.00 C ATOM 593 CE LYS A 41 -6.031 -8.882 -5.942 1.00 10.00 C ATOM 594 NZ LYS A 41 -5.882 -10.351 -5.836 1.00 10.00 N ATOM 0 H LYS A 41 -8.033 -6.965 -5.753 1.00 10.00 H new ATOM 0 HA LYS A 41 -7.046 -4.525 -6.925 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -8.256 -6.943 -8.259 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -7.244 -5.713 -8.989 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -5.455 -7.007 -8.461 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -5.726 -6.569 -6.786 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -7.617 -8.630 -7.382 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -6.097 -9.150 -8.081 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -5.073 -8.399 -5.749 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -6.727 -8.526 -5.182 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -5.538 -10.597 -4.886 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -6.803 -10.806 -5.999 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -5.201 -10.683 -6.548 1.00 10.00 H new ATOM 608 N LYS A 42 -9.489 -3.611 -6.364 1.00 10.00 N ATOM 609 CA LYS A 42 -10.698 -2.820 -6.522 1.00 10.00 C ATOM 610 C LYS A 42 -10.511 -1.467 -5.833 1.00 10.00 C ATOM 611 O LYS A 42 -10.775 -0.423 -6.426 1.00 10.00 O ATOM 612 CB LYS A 42 -11.917 -3.600 -6.025 1.00 10.00 C ATOM 613 CG LYS A 42 -13.070 -3.512 -7.027 1.00 10.00 C ATOM 614 CD LYS A 42 -14.050 -4.673 -6.839 1.00 10.00 C ATOM 615 CE LYS A 42 -15.374 -4.182 -6.250 1.00 10.00 C ATOM 616 NZ LYS A 42 -16.232 -3.610 -7.312 1.00 10.00 N ATOM 0 H LYS A 42 -8.955 -3.409 -5.519 1.00 10.00 H new ATOM 0 HA LYS A 42 -10.886 -2.618 -7.576 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -11.646 -4.644 -5.868 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -12.237 -3.205 -5.061 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -13.594 -2.565 -6.901 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -12.675 -3.525 -8.043 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -14.232 -5.159 -7.798 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -13.610 -5.422 -6.180 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -15.891 -5.008 -5.762 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -15.182 -3.430 -5.485 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -17.127 -3.281 -6.896 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -15.743 -2.808 -7.759 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -16.430 -4.338 -8.028 1.00 10.00 H new ATOM 630 N SER A 43 -10.056 -1.529 -4.590 1.00 10.00 N ATOM 631 CA SER A 43 -9.831 -0.322 -3.814 1.00 10.00 C ATOM 632 C SER A 43 -8.329 -0.073 -3.659 1.00 10.00 C ATOM 633 O SER A 43 -7.882 1.073 -3.671 1.00 10.00 O ATOM 634 CB SER A 43 -10.497 -0.418 -2.440 1.00 10.00 C ATOM 635 OG SER A 43 -11.292 0.729 -2.151 1.00 10.00 O ATOM 0 H SER A 43 -9.837 -2.397 -4.101 1.00 10.00 H new ATOM 0 HA SER A 43 -10.280 0.516 -4.347 1.00 10.00 H new ATOM 0 HB2 SER A 43 -11.121 -1.311 -2.401 1.00 10.00 H new ATOM 0 HB3 SER A 43 -9.731 -0.531 -1.673 1.00 10.00 H new ATOM 0 HG SER A 43 -11.701 0.629 -1.266 1.00 10.00 H new ATOM 641 N ALA A 44 -7.592 -1.164 -3.518 1.00 10.00 N ATOM 642 CA ALA A 44 -6.150 -1.079 -3.361 1.00 10.00 C ATOM 643 C ALA A 44 -5.555 -0.330 -4.556 1.00 10.00 C ATOM 644 O ALA A 44 -4.426 0.153 -4.491 1.00 10.00 O ATOM 645 CB ALA A 44 -5.568 -2.484 -3.206 1.00 10.00 C ATOM 0 H ALA A 44 -7.966 -2.113 -3.509 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.895 -0.520 -2.460 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -4.486 -2.419 -3.088 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -6.000 -2.962 -2.327 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.802 -3.074 -4.092 1.00 10.00 H new ATOM 651 N HIS A 45 -6.342 -0.258 -5.620 1.00 10.00 N ATOM 652 CA HIS A 45 -5.907 0.422 -6.827 1.00 10.00 C ATOM 653 C HIS A 45 -6.543 1.812 -6.890 1.00 10.00 C ATOM 654 O HIS A 45 -6.361 2.539 -7.866 1.00 10.00 O ATOM 655 CB HIS A 45 -6.209 -0.423 -8.066 1.00 10.00 C ATOM 656 CG HIS A 45 -5.151 -1.457 -8.376 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.441 -2.801 -8.534 1.00 10.00 N ATOM 658 CD2 HIS A 45 -3.805 -1.329 -8.555 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.312 -3.444 -8.795 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.300 -2.530 -8.807 1.00 10.00 N ATOM 0 H HIS A 45 -7.278 -0.660 -5.670 1.00 10.00 H new ATOM 0 HA HIS A 45 -4.825 0.555 -6.803 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.165 -0.927 -7.926 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -6.320 0.238 -8.926 1.00 10.00 H new ATOM 0 HD1 HIS A 45 -6.366 -3.224 -8.462 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -3.245 -0.407 -8.501 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.211 -4.505 -8.968 1.00 10.00 H new ATOM 668 N LYS A 46 -7.276 2.141 -5.836 1.00 10.00 N ATOM 669 CA LYS A 46 -7.940 3.432 -5.758 1.00 10.00 C ATOM 670 C LYS A 46 -7.276 4.278 -4.671 1.00 10.00 C ATOM 671 O LYS A 46 -6.151 3.995 -4.260 1.00 10.00 O ATOM 672 CB LYS A 46 -9.447 3.248 -5.561 1.00 10.00 C ATOM 673 CG LYS A 46 -10.234 3.939 -6.676 1.00 10.00 C ATOM 674 CD LYS A 46 -11.736 3.694 -6.520 1.00 10.00 C ATOM 675 CE LYS A 46 -12.511 4.260 -7.711 1.00 10.00 C ATOM 676 NZ LYS A 46 -12.604 3.253 -8.793 1.00 10.00 N ATOM 0 H LYS A 46 -7.425 1.536 -5.029 1.00 10.00 H new ATOM 0 HA LYS A 46 -7.828 3.975 -6.696 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -9.688 2.185 -5.546 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.744 3.656 -4.595 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.033 5.010 -6.658 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -9.900 3.568 -7.645 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -11.926 2.624 -6.433 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.090 4.157 -5.599 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.511 4.556 -7.394 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.015 5.157 -8.082 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -13.133 3.652 -9.594 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -11.648 2.990 -9.106 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.097 2.408 -8.440 1.00 10.00 H new ATOM 690 N ASP A 47 -7.999 5.298 -4.235 1.00 10.00 N ATOM 691 CA ASP A 47 -7.495 6.187 -3.203 1.00 10.00 C ATOM 692 C ASP A 47 -6.819 5.359 -2.108 1.00 10.00 C ATOM 693 O ASP A 47 -5.912 5.841 -1.432 1.00 10.00 O ATOM 694 CB ASP A 47 -8.631 6.985 -2.559 1.00 10.00 C ATOM 695 CG ASP A 47 -8.184 8.063 -1.569 1.00 10.00 C ATOM 696 OD1 ASP A 47 -7.117 7.858 -0.951 1.00 10.00 O ATOM 697 OD2 ASP A 47 -8.919 9.067 -1.454 1.00 10.00 O ATOM 0 H ASP A 47 -8.931 5.529 -4.578 1.00 10.00 H new ATOM 0 HA ASP A 47 -6.789 6.876 -3.667 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -9.216 7.458 -3.348 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -9.295 6.291 -2.043 1.00 10.00 H new ATOM 702 N ALA A 48 -7.288 4.128 -1.968 1.00 10.00 N ATOM 703 CA ALA A 48 -6.740 3.228 -0.966 1.00 10.00 C ATOM 704 C ALA A 48 -5.216 3.365 -0.943 1.00 10.00 C ATOM 705 O ALA A 48 -4.636 3.698 0.088 1.00 10.00 O ATOM 706 CB ALA A 48 -7.193 1.797 -1.264 1.00 10.00 C ATOM 0 H ALA A 48 -8.041 3.732 -2.531 1.00 10.00 H new ATOM 0 HA ALA A 48 -7.109 3.487 0.026 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.783 1.122 -0.513 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -8.282 1.748 -1.240 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.838 1.501 -2.251 1.00 10.00 H new ATOM 712 N CYS A 49 -4.613 3.100 -2.093 1.00 10.00 N ATOM 713 CA CYS A 49 -3.168 3.189 -2.217 1.00 10.00 C ATOM 714 C CYS A 49 -2.841 4.258 -3.262 1.00 10.00 C ATOM 715 O CYS A 49 -2.065 5.174 -2.996 1.00 10.00 O ATOM 716 CB CYS A 49 -2.547 1.837 -2.571 1.00 10.00 C ATOM 717 SG CYS A 49 -2.751 0.540 -1.296 1.00 10.00 S ATOM 0 H CYS A 49 -5.099 2.824 -2.946 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.735 3.474 -1.258 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -2.989 1.483 -3.503 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -1.482 1.980 -2.757 1.00 10.00 H new ATOM 722 N LYS A 50 -3.450 4.106 -4.428 1.00 10.00 N ATOM 723 CA LYS A 50 -3.234 5.047 -5.514 1.00 10.00 C ATOM 724 C LYS A 50 -3.009 6.445 -4.934 1.00 10.00 C ATOM 725 O LYS A 50 -1.875 6.914 -4.857 1.00 10.00 O ATOM 726 CB LYS A 50 -4.382 4.976 -6.522 1.00 10.00 C ATOM 727 CG LYS A 50 -3.906 4.401 -7.857 1.00 10.00 C ATOM 728 CD LYS A 50 -3.245 5.482 -8.715 1.00 10.00 C ATOM 729 CE LYS A 50 -3.962 5.629 -10.059 1.00 10.00 C ATOM 730 NZ LYS A 50 -2.999 5.513 -11.176 1.00 10.00 N ATOM 0 H LYS A 50 -4.093 3.345 -4.645 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.335 4.785 -6.072 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -5.185 4.357 -6.121 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -4.796 5.972 -6.678 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -3.199 3.592 -7.677 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -4.752 3.972 -8.394 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -3.261 6.434 -8.184 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.198 5.229 -8.883 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -4.731 4.862 -10.153 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -4.467 6.594 -10.105 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -3.502 5.615 -12.080 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -2.280 6.260 -11.094 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -2.537 4.582 -11.140 1.00 10.00 H new ATOM 744 N THR A 51 -4.109 7.072 -4.543 1.00 10.00 N ATOM 745 CA THR A 51 -4.046 8.406 -3.972 1.00 10.00 C ATOM 746 C THR A 51 -2.748 8.590 -3.184 1.00 10.00 C ATOM 747 O THR A 51 -1.911 9.417 -3.544 1.00 10.00 O ATOM 748 CB THR A 51 -5.305 8.619 -3.127 1.00 10.00 C ATOM 749 OG1 THR A 51 -6.312 8.944 -4.080 1.00 10.00 O ATOM 750 CG2 THR A 51 -5.213 9.864 -2.243 1.00 10.00 C ATOM 0 H THR A 51 -5.049 6.681 -4.611 1.00 10.00 H new ATOM 0 HA THR A 51 -4.026 9.168 -4.751 1.00 10.00 H new ATOM 0 HB THR A 51 -5.475 7.742 -2.502 1.00 10.00 H new ATOM 0 HG1 THR A 51 -7.054 9.398 -3.629 1.00 10.00 H new ATOM 0 HG21 THR A 51 -6.131 9.968 -1.665 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.366 9.766 -1.564 1.00 10.00 H new ATOM 0 HG23 THR A 51 -5.076 10.746 -2.869 1.00 10.00 H new ATOM 758 N CYS A 52 -2.620 7.805 -2.125 1.00 10.00 N ATOM 759 CA CYS A 52 -1.437 7.870 -1.283 1.00 10.00 C ATOM 760 C CYS A 52 -0.215 8.050 -2.186 1.00 10.00 C ATOM 761 O CYS A 52 0.313 9.154 -2.311 1.00 10.00 O ATOM 762 CB CYS A 52 -1.310 6.635 -0.390 1.00 10.00 C ATOM 763 SG CYS A 52 -1.022 6.996 1.381 1.00 10.00 S ATOM 0 H CYS A 52 -3.316 7.120 -1.830 1.00 10.00 H new ATOM 0 HA CYS A 52 -1.515 8.720 -0.605 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -2.220 6.042 -0.482 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -0.490 6.020 -0.759 1.00 10.00 H new ATOM 768 N HIS A 53 0.200 6.947 -2.793 1.00 10.00 N ATOM 769 CA HIS A 53 1.351 6.969 -3.681 1.00 10.00 C ATOM 770 C HIS A 53 1.282 8.205 -4.579 1.00 10.00 C ATOM 771 O HIS A 53 2.297 8.855 -4.825 1.00 10.00 O ATOM 772 CB HIS A 53 1.450 5.664 -4.473 1.00 10.00 C ATOM 773 CG HIS A 53 2.260 4.590 -3.789 1.00 10.00 C ATOM 774 ND1 HIS A 53 3.091 3.723 -4.478 1.00 10.00 N ATOM 775 CD2 HIS A 53 2.359 4.251 -2.471 1.00 10.00 C ATOM 776 CE1 HIS A 53 3.659 2.905 -3.605 1.00 10.00 C ATOM 777 NE2 HIS A 53 3.204 3.233 -2.362 1.00 10.00 N ATOM 0 H HIS A 53 -0.240 6.033 -2.687 1.00 10.00 H new ATOM 0 HA HIS A 53 2.267 7.040 -3.095 1.00 10.00 H new ATOM 0 HB2 HIS A 53 0.445 5.285 -4.656 1.00 10.00 H new ATOM 0 HB3 HIS A 53 1.893 5.875 -5.446 1.00 10.00 H new ATOM 0 HD1 HIS A 53 3.240 3.716 -5.487 1.00 10.00 H new ATOM 0 HD2 HIS A 53 1.838 4.730 -1.655 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.360 2.116 -3.837 1.00 10.00 H new ATOM 785 N LYS A 54 0.076 8.492 -5.045 1.00 10.00 N ATOM 786 CA LYS A 54 -0.139 9.639 -5.911 1.00 10.00 C ATOM 787 C LYS A 54 -0.037 10.923 -5.086 1.00 10.00 C ATOM 788 O LYS A 54 -1.048 11.560 -4.794 1.00 10.00 O ATOM 789 CB LYS A 54 -1.461 9.499 -6.669 1.00 10.00 C ATOM 790 CG LYS A 54 -1.242 8.854 -8.039 1.00 10.00 C ATOM 791 CD LYS A 54 -2.499 8.965 -8.904 1.00 10.00 C ATOM 792 CE LYS A 54 -2.287 9.953 -10.055 1.00 10.00 C ATOM 793 NZ LYS A 54 -3.193 11.114 -9.913 1.00 10.00 N ATOM 0 H LYS A 54 -0.763 7.950 -4.839 1.00 10.00 H new ATOM 0 HA LYS A 54 0.636 9.688 -6.675 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -2.156 8.895 -6.086 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -1.918 10.481 -6.794 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -0.405 9.338 -8.543 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -0.975 7.805 -7.913 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -2.757 7.985 -9.304 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -3.339 9.290 -8.291 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -1.251 10.292 -10.066 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -2.470 9.456 -11.008 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -3.037 11.775 -10.701 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -4.180 10.787 -9.925 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -2.999 11.597 -9.013 1.00 10.00 H new ATOM 807 N SER A 55 1.194 11.265 -4.732 1.00 10.00 N ATOM 808 CA SER A 55 1.441 12.461 -3.946 1.00 10.00 C ATOM 809 C SER A 55 2.946 12.668 -3.766 1.00 10.00 C ATOM 810 O SER A 55 3.498 13.669 -4.220 1.00 10.00 O ATOM 811 CB SER A 55 0.751 12.377 -2.582 1.00 10.00 C ATOM 812 OG SER A 55 1.081 13.484 -1.748 1.00 10.00 O ATOM 0 H SER A 55 2.030 10.734 -4.975 1.00 10.00 H new ATOM 0 HA SER A 55 1.024 13.314 -4.482 1.00 10.00 H new ATOM 0 HB2 SER A 55 -0.329 12.339 -2.724 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.040 11.450 -2.086 1.00 10.00 H new ATOM 0 HG SER A 55 0.620 13.394 -0.888 1.00 10.00 H new ATOM 818 N ASN A 56 3.570 11.703 -3.105 1.00 10.00 N ATOM 819 CA ASN A 56 5.000 11.766 -2.860 1.00 10.00 C ATOM 820 C ASN A 56 5.714 10.766 -3.772 1.00 10.00 C ATOM 821 O ASN A 56 6.573 11.146 -4.565 1.00 10.00 O ATOM 822 CB ASN A 56 5.328 11.403 -1.411 1.00 10.00 C ATOM 823 CG ASN A 56 6.277 12.430 -0.789 1.00 10.00 C ATOM 824 OD1 ASN A 56 7.143 12.987 -1.443 1.00 10.00 O ATOM 825 ND2 ASN A 56 6.068 12.646 0.506 1.00 10.00 N ATOM 0 H ASN A 56 3.110 10.873 -2.732 1.00 10.00 H new ATOM 0 HA ASN A 56 5.331 12.785 -3.059 1.00 10.00 H new ATOM 0 HB2 ASN A 56 4.408 11.353 -0.828 1.00 10.00 H new ATOM 0 HB3 ASN A 56 5.783 10.413 -1.375 1.00 10.00 H new ATOM 0 HD21 ASN A 56 6.651 13.313 1.012 1.00 10.00 H new ATOM 0 HD22 ASN A 56 5.325 12.145 0.993 1.00 10.00 H new ATOM 832 N ASN A 57 5.332 9.506 -3.626 1.00 10.00 N ATOM 833 CA ASN A 57 5.925 8.447 -4.426 1.00 10.00 C ATOM 834 C ASN A 57 6.089 8.934 -5.868 1.00 10.00 C ATOM 835 O ASN A 57 5.115 9.321 -6.510 1.00 10.00 O ATOM 836 CB ASN A 57 5.032 7.205 -4.446 1.00 10.00 C ATOM 837 CG ASN A 57 5.343 6.286 -3.263 1.00 10.00 C ATOM 838 OD1 ASN A 57 4.557 6.127 -2.343 1.00 10.00 O ATOM 839 ND2 ASN A 57 6.531 5.693 -3.338 1.00 10.00 N ATOM 0 H ASN A 57 4.619 9.194 -2.966 1.00 10.00 H new ATOM 0 HA ASN A 57 6.889 8.191 -3.985 1.00 10.00 H new ATOM 0 HB2 ASN A 57 3.985 7.505 -4.412 1.00 10.00 H new ATOM 0 HB3 ASN A 57 5.178 6.663 -5.380 1.00 10.00 H new ATOM 0 HD21 ASN A 57 6.833 5.061 -2.597 1.00 10.00 H new ATOM 0 HD22 ASN A 57 7.140 5.871 -4.137 1.00 10.00 H new ATOM 846 N GLY A 58 7.330 8.899 -6.332 1.00 10.00 N ATOM 847 CA GLY A 58 7.634 9.333 -7.685 1.00 10.00 C ATOM 848 C GLY A 58 6.824 8.538 -8.711 1.00 10.00 C ATOM 849 O GLY A 58 5.981 9.099 -9.410 1.00 10.00 O ATOM 0 H GLY A 58 8.136 8.577 -5.796 1.00 10.00 H new ATOM 0 HA2 GLY A 58 7.415 10.396 -7.788 1.00 10.00 H new ATOM 0 HA3 GLY A 58 8.699 9.207 -7.881 1.00 10.00 H new ATOM 853 N PRO A 59 7.114 7.211 -8.770 1.00 10.00 N ATOM 854 CA PRO A 59 6.421 6.334 -9.698 1.00 10.00 C ATOM 855 C PRO A 59 5.000 6.037 -9.216 1.00 10.00 C ATOM 856 O PRO A 59 4.793 5.142 -8.397 1.00 10.00 O ATOM 857 CB PRO A 59 7.290 5.090 -9.788 1.00 10.00 C ATOM 858 CG PRO A 59 8.188 5.121 -8.562 1.00 10.00 C ATOM 859 CD PRO A 59 8.105 6.512 -7.957 1.00 10.00 C ATOM 0 HA PRO A 59 6.289 6.784 -10.682 1.00 10.00 H new ATOM 0 HB2 PRO A 59 6.680 4.187 -9.803 1.00 10.00 H new ATOM 0 HB3 PRO A 59 7.880 5.091 -10.705 1.00 10.00 H new ATOM 0 HG2 PRO A 59 7.871 4.371 -7.838 1.00 10.00 H new ATOM 0 HG3 PRO A 59 9.216 4.885 -8.836 1.00 10.00 H new ATOM 0 HD2 PRO A 59 7.802 6.471 -6.911 1.00 10.00 H new ATOM 0 HD3 PRO A 59 9.071 7.016 -7.989 1.00 10.00 H new ATOM 867 N THR A 60 4.057 6.804 -9.743 1.00 10.00 N ATOM 868 CA THR A 60 2.661 6.635 -9.376 1.00 10.00 C ATOM 869 C THR A 60 1.935 5.785 -10.421 1.00 10.00 C ATOM 870 O THR A 60 0.743 5.977 -10.663 1.00 10.00 O ATOM 871 CB THR A 60 2.049 8.024 -9.190 1.00 10.00 C ATOM 872 OG1 THR A 60 2.015 8.568 -10.507 1.00 10.00 O ATOM 873 CG2 THR A 60 2.971 8.972 -8.419 1.00 10.00 C ATOM 0 H THR A 60 4.232 7.545 -10.422 1.00 10.00 H new ATOM 0 HA THR A 60 2.562 6.093 -8.436 1.00 10.00 H new ATOM 0 HB THR A 60 1.099 7.934 -8.664 1.00 10.00 H new ATOM 0 HG1 THR A 60 1.630 9.469 -10.479 1.00 10.00 H new ATOM 0 HG21 THR A 60 2.489 9.944 -8.315 1.00 10.00 H new ATOM 0 HG22 THR A 60 3.173 8.559 -7.431 1.00 10.00 H new ATOM 0 HG23 THR A 60 3.909 9.089 -8.962 1.00 10.00 H new ATOM 881 N LYS A 61 2.682 4.865 -11.012 1.00 10.00 N ATOM 882 CA LYS A 61 2.124 3.986 -12.026 1.00 10.00 C ATOM 883 C LYS A 61 2.949 2.699 -12.089 1.00 10.00 C ATOM 884 O LYS A 61 3.700 2.394 -11.164 1.00 10.00 O ATOM 885 CB LYS A 61 2.019 4.714 -13.367 1.00 10.00 C ATOM 886 CG LYS A 61 3.361 4.708 -14.103 1.00 10.00 C ATOM 887 CD LYS A 61 3.353 5.700 -15.267 1.00 10.00 C ATOM 888 CE LYS A 61 4.084 6.992 -14.892 1.00 10.00 C ATOM 889 NZ LYS A 61 3.456 8.155 -15.558 1.00 10.00 N ATOM 0 H LYS A 61 3.669 4.709 -10.808 1.00 10.00 H new ATOM 0 HA LYS A 61 1.105 3.700 -11.763 1.00 10.00 H new ATOM 0 HB2 LYS A 61 1.259 4.236 -13.985 1.00 10.00 H new ATOM 0 HB3 LYS A 61 1.696 5.742 -13.202 1.00 10.00 H new ATOM 0 HG2 LYS A 61 4.162 4.963 -13.409 1.00 10.00 H new ATOM 0 HG3 LYS A 61 3.570 3.706 -14.476 1.00 10.00 H new ATOM 0 HD2 LYS A 61 3.829 5.248 -16.138 1.00 10.00 H new ATOM 0 HD3 LYS A 61 2.325 5.928 -15.548 1.00 10.00 H new ATOM 0 HE2 LYS A 61 4.062 7.129 -13.811 1.00 10.00 H new ATOM 0 HE3 LYS A 61 5.132 6.921 -15.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 3.964 9.023 -15.293 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 3.500 8.030 -16.589 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 2.462 8.231 -15.260 1.00 10.00 H new ATOM 903 N CYS A 62 2.780 1.979 -13.187 1.00 10.00 N ATOM 904 CA CYS A 62 3.500 0.731 -13.382 1.00 10.00 C ATOM 905 C CYS A 62 4.971 0.966 -13.036 1.00 10.00 C ATOM 906 O CYS A 62 5.603 1.872 -13.578 1.00 10.00 O ATOM 907 CB CYS A 62 3.326 0.195 -14.805 1.00 10.00 C ATOM 908 SG CYS A 62 1.786 -0.751 -15.087 1.00 10.00 S ATOM 0 H CYS A 62 2.155 2.235 -13.952 1.00 10.00 H new ATOM 0 HA CYS A 62 3.091 -0.035 -12.723 1.00 10.00 H new ATOM 0 HB2 CYS A 62 3.352 1.034 -15.500 1.00 10.00 H new ATOM 0 HB3 CYS A 62 4.177 -0.443 -15.044 1.00 10.00 H new ATOM 0 HG CYS A 62 1.744 -1.153 -16.323 1.00 10.00 H new ATOM 913 N GLY A 63 5.473 0.134 -12.136 1.00 10.00 N ATOM 914 CA GLY A 63 6.859 0.239 -11.711 1.00 10.00 C ATOM 915 C GLY A 63 6.959 0.860 -10.315 1.00 10.00 C ATOM 916 O GLY A 63 7.963 0.688 -9.626 1.00 10.00 O ATOM 0 H GLY A 63 4.945 -0.616 -11.689 1.00 10.00 H new ATOM 0 HA2 GLY A 63 7.318 -0.750 -11.707 1.00 10.00 H new ATOM 0 HA3 GLY A 63 7.417 0.846 -12.424 1.00 10.00 H new ATOM 920 N GLY A 64 5.904 1.568 -9.941 1.00 10.00 N ATOM 921 CA GLY A 64 5.860 2.215 -8.640 1.00 10.00 C ATOM 922 C GLY A 64 5.594 1.197 -7.530 1.00 10.00 C ATOM 923 O GLY A 64 5.999 1.399 -6.387 1.00 10.00 O ATOM 0 H GLY A 64 5.073 1.708 -10.516 1.00 10.00 H new ATOM 0 HA2 GLY A 64 6.805 2.725 -8.452 1.00 10.00 H new ATOM 0 HA3 GLY A 64 5.080 2.976 -8.635 1.00 10.00 H new ATOM 927 N CYS A 65 4.914 0.123 -7.906 1.00 10.00 N ATOM 928 CA CYS A 65 4.589 -0.928 -6.956 1.00 10.00 C ATOM 929 C CYS A 65 5.080 -2.259 -7.527 1.00 10.00 C ATOM 930 O CYS A 65 6.081 -2.806 -7.065 1.00 10.00 O ATOM 931 CB CYS A 65 3.093 -0.960 -6.638 1.00 10.00 C ATOM 932 SG CYS A 65 2.363 0.663 -6.214 1.00 10.00 S ATOM 0 H CYS A 65 4.579 -0.042 -8.855 1.00 10.00 H new ATOM 0 HA CYS A 65 5.090 -0.733 -6.008 1.00 10.00 H new ATOM 0 HB2 CYS A 65 2.562 -1.368 -7.498 1.00 10.00 H new ATOM 0 HB3 CYS A 65 2.927 -1.645 -5.807 1.00 10.00 H new ATOM 937 N HIS A 66 4.354 -2.744 -8.523 1.00 10.00 N ATOM 938 CA HIS A 66 4.702 -4.001 -9.162 1.00 10.00 C ATOM 939 C HIS A 66 6.112 -3.904 -9.751 1.00 10.00 C ATOM 940 O HIS A 66 6.537 -2.832 -10.177 1.00 10.00 O ATOM 941 CB HIS A 66 3.651 -4.393 -10.202 1.00 10.00 C ATOM 942 CG HIS A 66 2.291 -4.690 -9.618 1.00 10.00 C ATOM 943 ND1 HIS A 66 1.748 -5.963 -9.590 1.00 10.00 N ATOM 944 CD2 HIS A 66 1.369 -3.866 -9.041 1.00 10.00 C ATOM 945 CE1 HIS A 66 0.553 -5.897 -9.020 1.00 10.00 C ATOM 946 NE2 HIS A 66 0.320 -4.596 -8.680 1.00 10.00 N ATOM 0 H HIS A 66 3.525 -2.288 -8.904 1.00 10.00 H new ATOM 0 HA HIS A 66 4.709 -4.800 -8.420 1.00 10.00 H new ATOM 0 HB2 HIS A 66 3.555 -3.586 -10.928 1.00 10.00 H new ATOM 0 HB3 HIS A 66 4.002 -5.271 -10.745 1.00 10.00 H new ATOM 0 HD1 HIS A 66 2.192 -6.809 -9.947 1.00 10.00 H new ATOM 0 HD2 HIS A 66 1.475 -2.800 -8.901 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -0.118 -6.727 -8.854 1.00 10.00 H new ATOM 954 N ILE A 67 6.795 -5.039 -9.755 1.00 10.00 N ATOM 955 CA ILE A 67 8.148 -5.095 -10.284 1.00 10.00 C ATOM 956 C ILE A 67 8.224 -6.181 -11.360 1.00 10.00 C ATOM 957 O ILE A 67 8.547 -7.331 -11.065 1.00 10.00 O ATOM 958 CB ILE A 67 9.159 -5.278 -9.152 1.00 10.00 C ATOM 959 CG1 ILE A 67 9.185 -4.053 -8.236 1.00 10.00 C ATOM 960 CG2 ILE A 67 10.547 -5.611 -9.704 1.00 10.00 C ATOM 961 CD1 ILE A 67 9.462 -4.457 -6.787 1.00 10.00 C ATOM 0 H ILE A 67 6.438 -5.926 -9.401 1.00 10.00 H new ATOM 0 HA ILE A 67 8.410 -4.152 -10.763 1.00 10.00 H new ATOM 0 HB ILE A 67 8.842 -6.126 -8.546 1.00 10.00 H new ATOM 0 HG12 ILE A 67 9.952 -3.357 -8.576 1.00 10.00 H new ATOM 0 HG13 ILE A 67 8.231 -3.530 -8.295 1.00 10.00 H new ATOM 0 HG21 ILE A 67 11.247 -5.736 -8.878 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.497 -6.535 -10.280 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.887 -4.800 -10.348 1.00 10.00 H new ATOM 0 HD11 ILE A 67 9.475 -3.567 -6.157 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.680 -5.134 -6.442 1.00 10.00 H new ATOM 0 HD13 ILE A 67 10.428 -4.958 -6.727 1.00 10.00 H new ATOM 973 N LYS A 68 7.924 -5.778 -12.585 1.00 10.00 N ATOM 974 CA LYS A 68 7.955 -6.702 -13.706 1.00 10.00 C ATOM 975 C LYS A 68 9.391 -6.825 -14.219 1.00 10.00 C ATOM 976 O LYS A 68 10.243 -5.999 -13.896 1.00 10.00 O ATOM 977 CB LYS A 68 6.953 -6.276 -14.780 1.00 10.00 C ATOM 978 CG LYS A 68 6.519 -7.471 -15.630 1.00 10.00 C ATOM 979 CD LYS A 68 5.691 -7.017 -16.835 1.00 10.00 C ATOM 980 CE LYS A 68 6.584 -6.780 -18.055 1.00 10.00 C ATOM 981 NZ LYS A 68 6.408 -5.403 -18.567 1.00 10.00 N ATOM 0 H LYS A 68 7.658 -4.823 -12.827 1.00 10.00 H new ATOM 0 HA LYS A 68 7.642 -7.697 -13.389 1.00 10.00 H new ATOM 0 HB2 LYS A 68 6.080 -5.824 -14.309 1.00 10.00 H new ATOM 0 HB3 LYS A 68 7.401 -5.515 -15.419 1.00 10.00 H new ATOM 0 HG2 LYS A 68 7.398 -8.016 -15.973 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.934 -8.161 -15.022 1.00 10.00 H new ATOM 0 HD2 LYS A 68 4.940 -7.772 -17.070 1.00 10.00 H new ATOM 0 HD3 LYS A 68 5.155 -6.100 -16.588 1.00 10.00 H new ATOM 0 HE2 LYS A 68 7.628 -6.944 -17.786 1.00 10.00 H new ATOM 0 HE3 LYS A 68 6.340 -7.499 -18.837 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 7.021 -5.259 -19.395 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 5.415 -5.259 -18.842 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 6.663 -4.721 -17.824 1.00 10.00 H new TER 995 LYS A 68 HETATM 996 CR CR A 188 -5.965 0.817 -13.304 1.00 10.00 CR HETATM 997 FE HEC A 98 -1.291 -2.108 8.609 1.00 10.00 FE HETATM 998 CHA HEC A 98 -3.469 -4.585 7.794 1.00 10.00 C HETATM 999 CHB HEC A 98 -1.405 -3.131 11.845 1.00 10.00 C HETATM 1000 CHC HEC A 98 1.230 -0.009 9.283 1.00 10.00 C HETATM 1001 CHD HEC A 98 -1.672 -0.756 5.603 1.00 10.00 C HETATM 1002 NA HEC A 98 -2.248 -3.542 9.563 1.00 10.00 N HETATM 1003 C1A HEC A 98 -3.106 -4.478 9.130 1.00 10.00 C HETATM 1004 C2A HEC A 98 -3.344 -5.539 10.137 1.00 10.00 C HETATM 1005 C3A HEC A 98 -2.776 -5.085 11.256 1.00 10.00 C HETATM 1006 C4A HEC A 98 -2.073 -3.911 10.987 1.00 10.00 C HETATM 1007 CMA HEC A 98 -2.766 -5.833 12.644 1.00 10.00 C HETATM 1008 CAA HEC A 98 -4.266 -6.693 9.871 1.00 10.00 C HETATM 1009 CBA HEC A 98 -3.572 -7.684 8.880 1.00 10.00 C HETATM 1010 CGA HEC A 98 -2.862 -8.896 9.463 1.00 10.00 C HETATM 1011 O1A HEC A 98 -2.957 -8.984 10.693 1.00 10.00 O HETATM 1012 O2A HEC A 98 -2.267 -9.703 8.718 1.00 10.00 O HETATM 1013 NB HEC A 98 -0.268 -1.637 10.264 1.00 10.00 N HETATM 1014 C1B HEC A 98 -0.619 -2.024 11.552 1.00 10.00 C HETATM 1015 C2B HEC A 98 0.335 -1.359 12.434 1.00 10.00 C HETATM 1016 C3B HEC A 98 1.139 -0.519 11.735 1.00 10.00 C HETATM 1017 C4B HEC A 98 0.680 -0.693 10.383 1.00 10.00 C HETATM 1018 CMB HEC A 98 0.256 -1.526 13.995 1.00 10.00 C HETATM 1019 CAB HEC A 98 2.208 0.446 12.172 1.00 10.00 C HETATM 1020 CBB HEC A 98 3.603 -0.184 12.323 1.00 10.00 C HETATM 1021 NC HEC A 98 -0.409 -0.650 7.584 1.00 10.00 N HETATM 1022 C1C HEC A 98 0.632 0.145 7.960 1.00 10.00 C HETATM 1023 C2C HEC A 98 1.020 1.173 7.075 1.00 10.00 C HETATM 1024 C3C HEC A 98 0.227 0.933 6.009 1.00 10.00 C HETATM 1025 C4C HEC A 98 -0.715 -0.131 6.348 1.00 10.00 C HETATM 1026 CMC HEC A 98 2.102 2.197 7.221 1.00 10.00 C HETATM 1027 CAC HEC A 98 -0.043 1.778 4.726 1.00 10.00 C HETATM 1028 CBC HEC A 98 0.329 3.264 4.927 1.00 10.00 C HETATM 1029 ND HEC A 98 -2.374 -2.566 6.987 1.00 10.00 N HETATM 1030 C1D HEC A 98 -2.408 -1.867 5.787 1.00 10.00 C HETATM 1031 C2D HEC A 98 -3.265 -2.502 4.896 1.00 10.00 C HETATM 1032 C3D HEC A 98 -3.748 -3.602 5.495 1.00 10.00 C HETATM 1033 C4D HEC A 98 -3.120 -3.688 6.811 1.00 10.00 C HETATM 1034 CMD HEC A 98 -3.547 -2.060 3.388 1.00 10.00 C HETATM 1035 CAD HEC A 98 -4.632 -4.677 4.816 1.00 10.00 C HETATM 1036 CBD HEC A 98 -3.857 -5.556 3.862 1.00 10.00 C HETATM 1037 CGD HEC A 98 -4.632 -6.516 2.980 1.00 10.00 C HETATM 1038 O1D HEC A 98 -3.967 -7.204 2.159 1.00 10.00 O HETATM 1039 O2D HEC A 98 -5.876 -6.396 3.049 1.00 10.00 O HETATM 0 HMD3 HEC A 98 -3.956 -1.050 3.375 1.00 10.00 H new HETATM 0 HMD2 HEC A 98 -2.616 -2.082 2.822 1.00 10.00 H new HETATM 0 HMD1 HEC A 98 -4.263 -2.746 2.935 1.00 10.00 H new HETATM 0 HMC3 HEC A 98 1.911 2.804 8.106 1.00 10.00 H new HETATM 0 HMC2 HEC A 98 3.065 1.697 7.325 1.00 10.00 H new HETATM 0 HMC1 HEC A 98 2.119 2.837 6.339 1.00 10.00 H new HETATM 0 HMB3 HEC A 98 -0.709 -1.164 14.351 1.00 10.00 H new HETATM 0 HMB2 HEC A 98 0.367 -2.579 14.254 1.00 10.00 H new HETATM 0 HMB1 HEC A 98 1.055 -0.951 14.463 1.00 10.00 H new HETATM 0 HMA3 HEC A 98 -3.791 -5.990 12.980 1.00 10.00 H new HETATM 0 HMA2 HEC A 98 -2.268 -6.797 12.534 1.00 10.00 H new HETATM 0 HMA1 HEC A 98 -2.232 -5.230 13.378 1.00 10.00 H new HETATM 0 HBD2 HEC A 98 -3.271 -4.906 3.212 1.00 10.00 H new HETATM 0 HBD1 HEC A 98 -3.149 -6.141 4.449 1.00 10.00 H new HETATM 0 HBC3 HEC A 98 -0.264 3.681 5.741 1.00 10.00 H new HETATM 0 HBC2 HEC A 98 1.388 3.344 5.172 1.00 10.00 H new HETATM 0 HBC1 HEC A 98 0.126 3.817 4.010 1.00 10.00 H new HETATM 0 HBB3 HEC A 98 3.565 -0.978 13.069 1.00 10.00 H new HETATM 0 HBB2 HEC A 98 3.920 -0.600 11.367 1.00 10.00 H new HETATM 0 HBB1 HEC A 98 4.314 0.579 12.640 1.00 10.00 H new HETATM 0 HBA2 HEC A 98 -4.329 -8.044 8.183 1.00 10.00 H new HETATM 0 HBA1 HEC A 98 -2.844 -7.119 8.297 1.00 10.00 H new HETATM 0 HAD2 HEC A 98 -5.093 -5.299 5.583 1.00 10.00 H new HETATM 0 HAD1 HEC A 98 -5.441 -4.187 4.275 1.00 10.00 H new HETATM 0 HAA2 HEC A 98 -4.510 -7.202 10.803 1.00 10.00 H new HETATM 0 HAA1 HEC A 98 -5.205 -6.335 9.449 1.00 10.00 H new HETATM 0 HHD HEC A 98 -1.885 -0.249 4.662 1.00 10.00 H new HETATM 0 HHC HEC A 98 2.205 0.455 9.435 1.00 10.00 H new HETATM 0 HHB HEC A 98 -1.488 -3.396 12.899 1.00 10.00 H new HETATM 0 HHA HEC A 98 -4.075 -5.443 7.503 1.00 10.00 H new HETATM 0 HAC HEC A 98 -0.446 1.369 3.799 1.00 10.00 H new HETATM 0 HAB HEC A 98 2.011 1.500 12.365 1.00 10.00 H new HETATM 0 H2D HEC A 98 -6.291 -7.284 3.038 1.00 10.00 H new HETATM 0 H2A HEC A 98 -1.687 -10.280 9.258 1.00 10.00 H new HETATM 1072 FE HEC A 128 3.587 2.649 -0.262 1.00 10.00 FE HETATM 1073 CHA HEC A 128 6.943 3.139 -0.464 1.00 10.00 C HETATM 1074 CHB HEC A 128 3.866 0.113 -2.504 1.00 10.00 C HETATM 1075 CHC HEC A 128 0.390 1.858 0.348 1.00 10.00 C HETATM 1076 CHD HEC A 128 3.253 5.488 1.424 1.00 10.00 C HETATM 1077 NA HEC A 128 5.093 1.846 -1.246 1.00 10.00 N HETATM 1078 C1A HEC A 128 6.405 2.132 -1.251 1.00 10.00 C HETATM 1079 C2A HEC A 128 7.211 1.076 -1.908 1.00 10.00 C HETATM 1080 C3A HEC A 128 6.321 0.268 -2.485 1.00 10.00 C HETATM 1081 C4A HEC A 128 5.029 0.643 -2.109 1.00 10.00 C HETATM 1082 CMA HEC A 128 6.663 -1.011 -3.340 1.00 10.00 C HETATM 1083 CAA HEC A 128 8.704 1.179 -2.028 1.00 10.00 C HETATM 1084 CBA HEC A 128 9.367 0.479 -0.798 1.00 10.00 C HETATM 1085 CGA HEC A 128 10.864 0.214 -0.847 1.00 10.00 C HETATM 1086 O1A HEC A 128 11.196 -0.597 -1.720 1.00 10.00 O HETATM 1087 O2A HEC A 128 11.639 0.802 -0.064 1.00 10.00 O HETATM 1088 NB HEC A 128 2.336 1.246 -0.953 1.00 10.00 N HETATM 1089 C1B HEC A 128 2.592 0.422 -2.043 1.00 10.00 C HETATM 1090 C2B HEC A 128 1.368 -0.345 -2.249 1.00 10.00 C HETATM 1091 C3B HEC A 128 0.385 0.076 -1.414 1.00 10.00 C HETATM 1092 C4B HEC A 128 1.032 1.115 -0.660 1.00 10.00 C HETATM 1093 CMB HEC A 128 1.245 -1.386 -3.421 1.00 10.00 C HETATM 1094 CAB HEC A 128 -1.062 -0.319 -1.286 1.00 10.00 C HETATM 1095 CBB HEC A 128 -1.305 -1.541 -0.387 1.00 10.00 C HETATM 1096 NC HEC A 128 2.114 3.551 0.724 1.00 10.00 N HETATM 1097 C1C HEC A 128 0.836 3.127 0.920 1.00 10.00 C HETATM 1098 C2C HEC A 128 -0.048 4.001 1.586 1.00 10.00 C HETATM 1099 C3C HEC A 128 0.775 5.012 1.934 1.00 10.00 C HETATM 1100 C4C HEC A 128 2.087 4.784 1.331 1.00 10.00 C HETATM 1101 CMC HEC A 128 -1.495 3.815 1.927 1.00 10.00 C HETATM 1102 CAC HEC A 128 0.468 6.423 2.524 1.00 10.00 C HETATM 1103 CBC HEC A 128 -0.326 6.332 3.847 1.00 10.00 C HETATM 1104 ND HEC A 128 4.853 4.070 0.366 1.00 10.00 N HETATM 1105 C1D HEC A 128 4.525 5.218 1.077 1.00 10.00 C HETATM 1106 C2D HEC A 128 5.674 5.951 1.344 1.00 10.00 C HETATM 1107 C3D HEC A 128 6.723 5.278 0.844 1.00 10.00 C HETATM 1108 C4D HEC A 128 6.209 4.031 0.283 1.00 10.00 C HETATM 1109 CMD HEC A 128 5.751 7.305 2.186 1.00 10.00 C HETATM 1110 CAD HEC A 128 8.211 5.663 1.037 1.00 10.00 C HETATM 1111 CBD HEC A 128 8.762 5.223 2.373 1.00 10.00 C HETATM 1112 CGD HEC A 128 9.322 3.817 2.489 1.00 10.00 C HETATM 1113 O1D HEC A 128 10.344 3.666 3.211 1.00 10.00 O HETATM 1114 O2D HEC A 128 8.802 2.985 1.712 1.00 10.00 O HETATM 0 HMD3 HEC A 128 5.134 8.066 1.709 1.00 10.00 H new HETATM 0 HMD2 HEC A 128 5.388 7.125 3.198 1.00 10.00 H new HETATM 0 HMD1 HEC A 128 6.784 7.649 2.227 1.00 10.00 H new HETATM 0 HMC3 HEC A 128 -2.068 3.666 1.012 1.00 10.00 H new HETATM 0 HMC2 HEC A 128 -1.608 2.943 2.572 1.00 10.00 H new HETATM 0 HMC1 HEC A 128 -1.863 4.700 2.446 1.00 10.00 H new HETATM 0 HMB3 HEC A 128 1.386 -0.878 -4.375 1.00 10.00 H new HETATM 0 HMB2 HEC A 128 2.007 -2.157 -3.304 1.00 10.00 H new HETATM 0 HMB1 HEC A 128 0.257 -1.846 -3.397 1.00 10.00 H new HETATM 0 HMA3 HEC A 128 7.268 -0.723 -4.200 1.00 10.00 H new HETATM 0 HMA2 HEC A 128 7.219 -1.721 -2.727 1.00 10.00 H new HETATM 0 HMA1 HEC A 128 5.739 -1.475 -3.685 1.00 10.00 H new HETATM 0 HBD2 HEC A 128 9.551 5.920 2.654 1.00 10.00 H new HETATM 0 HBD1 HEC A 128 7.967 5.327 3.112 1.00 10.00 H new HETATM 0 HBC3 HEC A 128 -1.273 5.823 3.669 1.00 10.00 H new HETATM 0 HBC2 HEC A 128 0.254 5.773 4.582 1.00 10.00 H new HETATM 0 HBC1 HEC A 128 -0.519 7.336 4.225 1.00 10.00 H new HETATM 0 HBB3 HEC A 128 -0.774 -2.402 -0.792 1.00 10.00 H new HETATM 0 HBB2 HEC A 128 -0.941 -1.331 0.619 1.00 10.00 H new HETATM 0 HBB1 HEC A 128 -2.372 -1.758 -0.349 1.00 10.00 H new HETATM 0 HBA2 HEC A 128 9.165 1.089 0.082 1.00 10.00 H new HETATM 0 HBA1 HEC A 128 8.864 -0.476 -0.646 1.00 10.00 H new HETATM 0 HAD2 HEC A 128 8.804 5.215 0.240 1.00 10.00 H new HETATM 0 HAD1 HEC A 128 8.317 6.744 0.944 1.00 10.00 H new HETATM 0 HAA2 HEC A 128 9.040 0.710 -2.953 1.00 10.00 H new HETATM 0 HAA1 HEC A 128 9.006 2.225 -2.073 1.00 10.00 H new HETATM 0 HHD HEC A 128 3.128 6.474 1.872 1.00 10.00 H new HETATM 0 HHC HEC A 128 -0.537 1.444 0.744 1.00 10.00 H new HETATM 0 HHB HEC A 128 3.925 -0.651 -3.279 1.00 10.00 H new HETATM 0 HHA HEC A 128 8.029 3.231 -0.435 1.00 10.00 H new HETATM 0 HAC HEC A 128 0.776 7.360 2.060 1.00 10.00 H new HETATM 0 H2D HEC A 128 8.680 2.133 2.180 1.00 10.00 H new HETATM 0 H2A HEC A 128 12.513 0.358 -0.074 1.00 10.00 H new HETATM 1147 FE HEC A 158 -1.458 -3.693 -9.120 1.00 10.00 FE HETATM 1148 CHA HEC A 158 -2.939 -6.346 -7.599 1.00 10.00 C HETATM 1149 CHB HEC A 158 -1.504 -5.404 -12.054 1.00 10.00 C HETATM 1150 CHC HEC A 158 -0.487 -0.893 -10.681 1.00 10.00 C HETATM 1151 CHD HEC A 158 -0.865 -2.305 -6.165 1.00 10.00 C HETATM 1152 NA HEC A 158 -2.085 -5.482 -9.657 1.00 10.00 N HETATM 1153 C1A HEC A 158 -2.662 -6.469 -8.954 1.00 10.00 C HETATM 1154 C2A HEC A 158 -3.243 -7.520 -9.824 1.00 10.00 C HETATM 1155 C3A HEC A 158 -2.801 -7.236 -11.049 1.00 10.00 C HETATM 1156 C4A HEC A 158 -2.127 -6.014 -11.039 1.00 10.00 C HETATM 1157 CMA HEC A 158 -3.114 -8.069 -12.350 1.00 10.00 C HETATM 1158 CAA HEC A 158 -3.942 -8.721 -9.256 1.00 10.00 C HETATM 1159 CBA HEC A 158 -3.001 -9.963 -9.370 1.00 10.00 C HETATM 1160 CGA HEC A 158 -3.496 -11.163 -10.163 1.00 10.00 C HETATM 1161 O1A HEC A 158 -3.210 -12.251 -9.650 1.00 10.00 O HETATM 1162 O2A HEC A 158 -4.141 -11.004 -11.221 1.00 10.00 O HETATM 1163 NB HEC A 158 -1.055 -3.221 -11.024 1.00 10.00 N HETATM 1164 C1B HEC A 158 -0.929 -4.140 -12.060 1.00 10.00 C HETATM 1165 C2B HEC A 158 -0.517 -3.362 -13.224 1.00 10.00 C HETATM 1166 C3B HEC A 158 -0.286 -2.069 -12.887 1.00 10.00 C HETATM 1167 C4B HEC A 158 -0.586 -2.048 -11.480 1.00 10.00 C HETATM 1168 CMB HEC A 158 -0.243 -4.051 -14.610 1.00 10.00 C HETATM 1169 CAB HEC A 158 0.230 -0.898 -13.682 1.00 10.00 C HETATM 1170 CBB HEC A 158 -0.490 0.429 -13.390 1.00 10.00 C HETATM 1171 NC HEC A 158 -0.797 -1.927 -8.487 1.00 10.00 N HETATM 1172 C1C HEC A 158 -0.435 -0.840 -9.223 1.00 10.00 C HETATM 1173 C2C HEC A 158 0.087 0.272 -8.530 1.00 10.00 C HETATM 1174 C3C HEC A 158 -0.063 -0.108 -7.243 1.00 10.00 C HETATM 1175 C4C HEC A 158 -0.526 -1.495 -7.210 1.00 10.00 C HETATM 1176 CMC HEC A 158 0.576 1.582 -9.065 1.00 10.00 C HETATM 1177 CAC HEC A 158 0.470 0.525 -5.921 1.00 10.00 C HETATM 1178 CBC HEC A 158 0.040 2.002 -5.778 1.00 10.00 C HETATM 1179 ND HEC A 158 -1.819 -4.218 -7.220 1.00 10.00 N HETATM 1180 C1D HEC A 158 -1.491 -3.492 -6.081 1.00 10.00 C HETATM 1181 C2D HEC A 158 -1.918 -4.174 -4.949 1.00 10.00 C HETATM 1182 C3D HEC A 158 -2.534 -5.299 -5.348 1.00 10.00 C HETATM 1183 C4D HEC A 158 -2.541 -5.293 -6.808 1.00 10.00 C HETATM 1184 CMD HEC A 158 -1.789 -3.664 -3.442 1.00 10.00 C HETATM 1185 CAD HEC A 158 -3.284 -6.287 -4.420 1.00 10.00 C HETATM 1186 CBD HEC A 158 -2.391 -7.386 -3.890 1.00 10.00 C HETATM 1187 CGD HEC A 158 -2.592 -7.844 -2.459 1.00 10.00 C HETATM 1188 O1D HEC A 158 -2.315 -7.017 -1.547 1.00 10.00 O HETATM 1189 O2D HEC A 158 -2.852 -9.063 -2.335 1.00 10.00 O HETATM 0 HMD3 HEC A 158 -0.738 -3.508 -3.199 1.00 10.00 H new HETATM 0 HMD2 HEC A 158 -2.331 -2.725 -3.328 1.00 10.00 H new HETATM 0 HMD1 HEC A 158 -2.210 -4.410 -2.768 1.00 10.00 H new HETATM 0 HMC3 HEC A 158 1.407 1.408 -9.749 1.00 10.00 H new HETATM 0 HMC2 HEC A 158 -0.233 2.083 -9.596 1.00 10.00 H new HETATM 0 HMC1 HEC A 158 0.911 2.210 -8.239 1.00 10.00 H new HETATM 0 HMB3 HEC A 158 0.558 -4.782 -14.501 1.00 10.00 H new HETATM 0 HMB2 HEC A 158 -1.148 -4.553 -14.952 1.00 10.00 H new HETATM 0 HMB1 HEC A 158 0.051 -3.296 -15.340 1.00 10.00 H new HETATM 0 HMA3 HEC A 158 -2.745 -9.087 -12.227 1.00 10.00 H new HETATM 0 HMA2 HEC A 158 -4.191 -8.091 -12.518 1.00 10.00 H new HETATM 0 HMA1 HEC A 158 -2.623 -7.606 -13.206 1.00 10.00 H new HETATM 0 HBD2 HEC A 158 -2.511 -8.254 -4.538 1.00 10.00 H new HETATM 0 HBD1 HEC A 158 -1.358 -7.054 -3.991 1.00 10.00 H new HETATM 0 HBC3 HEC A 158 0.433 2.578 -6.616 1.00 10.00 H new HETATM 0 HBC2 HEC A 158 -1.048 2.065 -5.773 1.00 10.00 H new HETATM 0 HBC1 HEC A 158 0.431 2.406 -4.844 1.00 10.00 H new HETATM 0 HBB3 HEC A 158 -1.550 0.327 -13.623 1.00 10.00 H new HETATM 0 HBB2 HEC A 158 -0.373 0.682 -12.336 1.00 10.00 H new HETATM 0 HBB1 HEC A 158 -0.058 1.220 -14.003 1.00 10.00 H new HETATM 0 HBA2 HEC A 158 -2.063 -9.632 -9.816 1.00 10.00 H new HETATM 0 HBA1 HEC A 158 -2.771 -10.302 -8.360 1.00 10.00 H new HETATM 0 HAD2 HEC A 158 -3.712 -5.737 -3.582 1.00 10.00 H new HETATM 0 HAD1 HEC A 158 -4.115 -6.732 -4.967 1.00 10.00 H new HETATM 0 HAA2 HEC A 158 -4.206 -8.544 -8.213 1.00 10.00 H new HETATM 0 HAA1 HEC A 158 -4.872 -8.904 -9.794 1.00 10.00 H new HETATM 0 HHD HEC A 158 -0.566 -1.906 -5.196 1.00 10.00 H new HETATM 0 HHC HEC A 158 -0.445 0.061 -11.206 1.00 10.00 H new HETATM 0 HHB HEC A 158 -1.440 -5.965 -12.986 1.00 10.00 H new HETATM 0 HHA HEC A 158 -3.514 -7.143 -7.127 1.00 10.00 H new HETATM 0 HAB HEC A 158 1.044 -0.984 -14.402 1.00 10.00 H new HETATM 0 H2D HEC A 158 -2.206 -9.475 -1.724 1.00 10.00 H new HETATM 0 H2A HEC A 158 -4.181 -11.852 -11.710 1.00 10.00 H new