USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 64 SER OG : rot 180:sc= -0.0868 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.00283 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.592 K(o=0.98,f=-1.5) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.387 K(o=0.98,f=-5.8!) USER MOD Set 3.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 71 SER OG : rot -61:sc= 1.05 USER MOD Set 4.1: A 17 ASN : amide:sc= -0.272 X(o=-0.12,f=0.15) USER MOD Set 4.2: A 18 SER OG : rot 180:sc= 0.149 USER MOD Set 5.1: A 15 HIS : no HE2:sc= 0.839 K(o=3,f=-4.8!) USER MOD Set 5.2: A 20 SER OG : rot -42:sc= 2.2 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -178:sc= 0.449 USER MOD Single : A 8 THR OG1 : rot -115:sc= 0.854 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.0279 X(o=0.028,f=-0.28) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -140:sc= -0.0538 USER MOD Single : A 26 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.54) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -35:sc= 0.653 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 20:sc= 1.1 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.692 K(o=-0.69,f=-5!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.151 (180deg=-0.275) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.214 (180deg=-0.378) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.0244 (180deg=-0.0244) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.15 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 2.819 -10.486 -17.278 1.00 10.00 N ATOM 2 CA ALA A 3 2.064 -9.385 -17.905 1.00 10.00 C ATOM 3 C ALA A 3 1.138 -8.828 -16.831 1.00 10.00 C ATOM 4 O ALA A 3 1.256 -9.299 -15.700 1.00 10.00 O ATOM 5 CB ALA A 3 1.316 -9.869 -19.154 1.00 10.00 C ATOM 0 HA ALA A 3 2.725 -8.596 -18.263 1.00 10.00 H new ATOM 0 HB1 ALA A 3 0.768 -9.036 -19.595 1.00 10.00 H new ATOM 0 HB2 ALA A 3 2.031 -10.258 -19.879 1.00 10.00 H new ATOM 0 HB3 ALA A 3 0.616 -10.657 -18.876 1.00 10.00 H new ATOM 13 N VAL A 4 0.271 -7.859 -17.149 1.00 10.00 N ATOM 14 CA VAL A 4 -0.728 -7.385 -16.199 1.00 10.00 C ATOM 15 C VAL A 4 -1.505 -8.586 -15.662 1.00 10.00 C ATOM 16 O VAL A 4 -1.888 -9.480 -16.416 1.00 10.00 O ATOM 17 CB VAL A 4 -1.651 -6.325 -16.833 1.00 10.00 C ATOM 18 CG1 VAL A 4 -2.487 -6.893 -17.991 1.00 10.00 C ATOM 19 CG2 VAL A 4 -2.581 -5.659 -15.809 1.00 10.00 C ATOM 0 H VAL A 4 0.245 -7.392 -18.056 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.233 -6.888 -15.365 1.00 10.00 H new ATOM 0 HB VAL A 4 -0.978 -5.564 -17.229 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -3.120 -6.107 -18.403 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -1.823 -7.269 -18.769 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -3.112 -7.707 -17.623 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -3.207 -4.922 -16.312 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -3.213 -6.416 -15.345 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -1.984 -5.165 -15.042 1.00 10.00 H new ATOM 29 N LYS A 5 -1.699 -8.609 -14.350 1.00 10.00 N ATOM 30 CA LYS A 5 -2.471 -9.623 -13.666 1.00 10.00 C ATOM 31 C LYS A 5 -3.008 -8.953 -12.415 1.00 10.00 C ATOM 32 O LYS A 5 -2.304 -8.827 -11.417 1.00 10.00 O ATOM 33 CB LYS A 5 -1.612 -10.860 -13.368 1.00 10.00 C ATOM 34 CG LYS A 5 -2.466 -11.976 -12.748 1.00 10.00 C ATOM 35 CD LYS A 5 -1.667 -13.285 -12.680 1.00 10.00 C ATOM 36 CE LYS A 5 -2.536 -14.461 -12.204 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.721 -14.480 -10.737 1.00 10.00 N ATOM 0 H LYS A 5 -1.312 -7.904 -13.722 1.00 10.00 H new ATOM 0 HA LYS A 5 -3.294 -9.998 -14.274 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.149 -11.218 -14.288 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.804 -10.593 -12.687 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.786 -11.685 -11.747 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.369 -12.124 -13.341 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -1.256 -13.512 -13.664 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.822 -13.160 -12.003 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.511 -14.405 -12.688 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.076 -15.398 -12.520 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -3.314 -15.292 -10.472 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.795 -14.561 -10.271 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -3.185 -13.600 -10.434 1.00 10.00 H new ATOM 51 N TYR A 6 -4.241 -8.464 -12.513 1.00 10.00 N ATOM 52 CA TYR A 6 -4.920 -7.830 -11.404 1.00 10.00 C ATOM 53 C TYR A 6 -4.992 -8.795 -10.212 1.00 10.00 C ATOM 54 O TYR A 6 -4.895 -10.010 -10.399 1.00 10.00 O ATOM 55 CB TYR A 6 -6.323 -7.411 -11.847 1.00 10.00 C ATOM 56 CG TYR A 6 -6.424 -6.606 -13.129 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.571 -7.251 -14.371 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.482 -5.205 -13.069 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.640 -6.495 -15.554 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.548 -4.446 -14.251 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.598 -5.092 -15.495 1.00 10.00 C ATOM 62 OH TYR A 6 -6.638 -4.354 -16.640 1.00 10.00 O ATOM 0 H TYR A 6 -4.793 -8.500 -13.370 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.367 -6.944 -11.091 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.926 -8.312 -11.963 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.773 -6.828 -11.043 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.631 -8.328 -14.415 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.476 -4.707 -12.110 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.725 -6.993 -16.509 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.560 -3.367 -14.201 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.601 -3.401 -16.416 1.00 10.00 H new ATOM 72 N TYR A 7 -5.175 -8.265 -9.000 1.00 10.00 N ATOM 73 CA TYR A 7 -5.244 -9.065 -7.783 1.00 10.00 C ATOM 74 C TYR A 7 -6.593 -8.823 -7.109 1.00 10.00 C ATOM 75 O TYR A 7 -7.074 -7.688 -7.072 1.00 10.00 O ATOM 76 CB TYR A 7 -4.073 -8.720 -6.858 1.00 10.00 C ATOM 77 CG TYR A 7 -2.721 -8.712 -7.540 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.026 -9.912 -7.779 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.191 -7.495 -7.998 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.819 -9.892 -8.504 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.003 -7.479 -8.740 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.326 -8.677 -9.017 1.00 10.00 C ATOM 83 OH TYR A 7 0.819 -8.644 -9.758 1.00 10.00 O ATOM 0 H TYR A 7 -5.280 -7.263 -8.839 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.163 -10.125 -8.022 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.250 -7.739 -6.417 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.049 -9.438 -6.038 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.418 -10.847 -7.407 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.701 -6.569 -7.778 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.271 -10.809 -8.667 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.606 -6.541 -9.100 1.00 10.00 H new ATOM 0 HH TYR A 7 1.024 -7.717 -10.002 1.00 10.00 H new ATOM 93 N THR A 8 -7.235 -9.897 -6.645 1.00 10.00 N ATOM 94 CA THR A 8 -8.508 -9.828 -5.943 1.00 10.00 C ATOM 95 C THR A 8 -8.274 -9.261 -4.546 1.00 10.00 C ATOM 96 O THR A 8 -7.159 -9.330 -4.022 1.00 10.00 O ATOM 97 CB THR A 8 -9.139 -11.231 -5.866 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.275 -12.099 -5.148 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.465 -11.766 -7.264 1.00 10.00 C ATOM 0 H THR A 8 -6.878 -10.847 -6.750 1.00 10.00 H new ATOM 0 HA THR A 8 -9.196 -9.175 -6.481 1.00 10.00 H new ATOM 0 HB THR A 8 -10.086 -11.172 -5.329 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.947 -12.802 -5.746 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.909 -12.758 -7.180 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.168 -11.094 -7.756 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.550 -11.827 -7.853 1.00 10.00 H new ATOM 107 N LEU A 9 -9.330 -8.733 -3.921 1.00 10.00 N ATOM 108 CA LEU A 9 -9.255 -8.284 -2.541 1.00 10.00 C ATOM 109 C LEU A 9 -8.701 -9.406 -1.663 1.00 10.00 C ATOM 110 O LEU A 9 -7.876 -9.147 -0.797 1.00 10.00 O ATOM 111 CB LEU A 9 -10.637 -7.825 -2.053 1.00 10.00 C ATOM 112 CG LEU A 9 -10.614 -6.423 -1.415 1.00 10.00 C ATOM 113 CD1 LEU A 9 -12.014 -6.026 -0.927 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.650 -6.320 -0.224 1.00 10.00 C ATOM 0 H LEU A 9 -10.245 -8.609 -4.355 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.580 -7.431 -2.475 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.331 -7.825 -2.893 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -11.017 -8.543 -1.326 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.269 -5.749 -2.199 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.975 -5.033 -0.480 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.704 -6.018 -1.770 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.358 -6.745 -0.184 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.679 -5.309 0.181 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.948 -7.029 0.548 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.637 -6.549 -0.555 1.00 10.00 H new ATOM 126 N GLU A 10 -9.131 -10.649 -1.913 1.00 10.00 N ATOM 127 CA GLU A 10 -8.644 -11.828 -1.206 1.00 10.00 C ATOM 128 C GLU A 10 -7.141 -12.008 -1.400 1.00 10.00 C ATOM 129 O GLU A 10 -6.389 -12.071 -0.429 1.00 10.00 O ATOM 130 CB GLU A 10 -9.389 -13.080 -1.671 1.00 10.00 C ATOM 131 CG GLU A 10 -9.119 -14.287 -0.752 1.00 10.00 C ATOM 132 CD GLU A 10 -9.575 -14.088 0.690 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.683 -13.538 0.869 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.803 -14.504 1.584 1.00 10.00 O ATOM 0 H GLU A 10 -9.835 -10.861 -2.621 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.834 -11.679 -0.143 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.459 -12.876 -1.697 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.086 -13.325 -2.689 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.622 -15.162 -1.163 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -8.050 -14.502 -0.757 1.00 10.00 H new ATOM 141 N GLU A 11 -6.697 -12.107 -2.657 1.00 10.00 N ATOM 142 CA GLU A 11 -5.278 -12.277 -2.947 1.00 10.00 C ATOM 143 C GLU A 11 -4.463 -11.195 -2.242 1.00 10.00 C ATOM 144 O GLU A 11 -3.429 -11.471 -1.644 1.00 10.00 O ATOM 145 CB GLU A 11 -5.004 -12.251 -4.460 1.00 10.00 C ATOM 146 CG GLU A 11 -4.589 -13.630 -4.980 1.00 10.00 C ATOM 147 CD GLU A 11 -5.733 -14.627 -4.855 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.747 -14.404 -5.557 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.569 -15.573 -4.055 1.00 10.00 O ATOM 0 H GLU A 11 -7.297 -12.072 -3.481 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.975 -13.254 -2.572 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.898 -11.916 -4.987 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.217 -11.528 -4.676 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.282 -13.552 -6.023 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.726 -13.989 -4.420 1.00 10.00 H new ATOM 156 N ILE A 12 -4.926 -9.950 -2.303 1.00 10.00 N ATOM 157 CA ILE A 12 -4.236 -8.855 -1.645 1.00 10.00 C ATOM 158 C ILE A 12 -4.271 -9.049 -0.121 1.00 10.00 C ATOM 159 O ILE A 12 -3.233 -8.973 0.532 1.00 10.00 O ATOM 160 CB ILE A 12 -4.816 -7.515 -2.133 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.675 -7.389 -3.664 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.082 -6.349 -1.463 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.672 -6.381 -4.237 1.00 10.00 C ATOM 0 H ILE A 12 -5.774 -9.679 -2.801 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.179 -8.843 -1.913 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.873 -7.484 -1.867 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.660 -7.080 -3.913 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.834 -8.363 -4.127 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.500 -5.406 -1.815 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.201 -6.418 -0.382 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.022 -6.393 -1.715 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.545 -6.317 -5.318 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.688 -6.704 -4.010 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.495 -5.402 -3.793 1.00 10.00 H new ATOM 175 N GLN A 13 -5.440 -9.350 0.451 1.00 10.00 N ATOM 176 CA GLN A 13 -5.629 -9.651 1.862 1.00 10.00 C ATOM 177 C GLN A 13 -4.657 -10.718 2.348 1.00 10.00 C ATOM 178 O GLN A 13 -4.064 -10.561 3.409 1.00 10.00 O ATOM 179 CB GLN A 13 -7.077 -10.082 2.119 1.00 10.00 C ATOM 180 CG GLN A 13 -8.022 -8.903 2.391 1.00 10.00 C ATOM 181 CD GLN A 13 -8.504 -8.902 3.841 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.716 -8.990 4.776 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.817 -8.854 4.051 1.00 10.00 N ATOM 0 H GLN A 13 -6.310 -9.391 -0.081 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.422 -8.743 2.428 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.442 -10.639 1.256 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -7.101 -10.762 2.971 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.509 -7.966 2.175 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.879 -8.959 1.720 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -10.458 -8.781 3.261 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -10.183 -8.890 5.002 1.00 10.00 H new ATOM 192 N LYS A 14 -4.454 -11.788 1.580 1.00 10.00 N ATOM 193 CA LYS A 14 -3.504 -12.843 1.915 1.00 10.00 C ATOM 194 C LYS A 14 -2.112 -12.270 2.243 1.00 10.00 C ATOM 195 O LYS A 14 -1.369 -12.861 3.024 1.00 10.00 O ATOM 196 CB LYS A 14 -3.460 -13.868 0.770 1.00 10.00 C ATOM 197 CG LYS A 14 -4.774 -14.660 0.662 1.00 10.00 C ATOM 198 CD LYS A 14 -4.629 -16.041 1.315 1.00 10.00 C ATOM 199 CE LYS A 14 -5.961 -16.494 1.926 1.00 10.00 C ATOM 200 NZ LYS A 14 -5.841 -17.823 2.558 1.00 10.00 N ATOM 0 H LYS A 14 -4.949 -11.946 0.702 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.838 -13.352 2.819 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -3.267 -13.353 -0.171 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.632 -14.558 0.931 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.579 -14.106 1.145 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -5.050 -14.775 -0.386 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -4.298 -16.767 0.572 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.862 -16.004 2.089 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -6.289 -15.765 2.667 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -6.726 -16.526 1.150 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -6.759 -18.100 2.961 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -5.551 -18.522 1.844 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.128 -17.785 3.314 1.00 10.00 H new ATOM 214 N HIS A 15 -1.773 -11.103 1.686 1.00 10.00 N ATOM 215 CA HIS A 15 -0.516 -10.403 1.895 1.00 10.00 C ATOM 216 C HIS A 15 -0.720 -9.300 2.953 1.00 10.00 C ATOM 217 O HIS A 15 -0.693 -8.111 2.638 1.00 10.00 O ATOM 218 CB HIS A 15 -0.011 -9.853 0.545 1.00 10.00 C ATOM 219 CG HIS A 15 0.349 -10.857 -0.525 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.471 -10.790 -1.320 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.393 -11.923 -0.960 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.415 -11.809 -2.193 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.304 -12.536 -2.006 1.00 10.00 N ATOM 0 H HIS A 15 -2.398 -10.605 1.052 1.00 10.00 H new ATOM 0 HA HIS A 15 0.250 -11.078 2.276 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.779 -9.193 0.142 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.868 -9.239 0.739 1.00 10.00 H new ATOM 0 HD1 HIS A 15 2.212 -10.092 -1.257 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.348 -12.235 -0.565 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.163 -12.015 -2.944 1.00 10.00 H new ATOM 231 N ASN A 16 -0.916 -9.700 4.220 1.00 10.00 N ATOM 232 CA ASN A 16 -1.172 -8.804 5.361 1.00 10.00 C ATOM 233 C ASN A 16 -0.179 -9.035 6.507 1.00 10.00 C ATOM 234 O ASN A 16 -0.566 -9.043 7.671 1.00 10.00 O ATOM 235 CB ASN A 16 -2.622 -8.941 5.878 1.00 10.00 C ATOM 236 CG ASN A 16 -2.916 -10.295 6.531 1.00 10.00 C ATOM 237 OD1 ASN A 16 -3.117 -10.403 7.736 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.959 -11.351 5.728 1.00 10.00 N ATOM 0 H ASN A 16 -0.900 -10.684 4.487 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.032 -7.788 4.993 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.817 -8.149 6.601 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.311 -8.791 5.047 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.162 -12.275 6.110 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.789 -11.239 4.729 1.00 10.00 H new ATOM 245 N ASN A 17 1.114 -9.219 6.219 1.00 10.00 N ATOM 246 CA ASN A 17 2.089 -9.508 7.271 1.00 10.00 C ATOM 247 C ASN A 17 3.488 -9.084 6.832 1.00 10.00 C ATOM 248 O ASN A 17 3.682 -8.691 5.679 1.00 10.00 O ATOM 249 CB ASN A 17 2.037 -11.002 7.643 1.00 10.00 C ATOM 250 CG ASN A 17 2.160 -11.228 9.149 1.00 10.00 C ATOM 251 OD1 ASN A 17 1.165 -11.231 9.862 1.00 10.00 O ATOM 252 ND2 ASN A 17 3.368 -11.425 9.670 1.00 10.00 N ATOM 0 H ASN A 17 1.504 -9.173 5.278 1.00 10.00 H new ATOM 0 HA ASN A 17 1.837 -8.932 8.162 1.00 10.00 H new ATOM 0 HB2 ASN A 17 1.099 -11.430 7.289 1.00 10.00 H new ATOM 0 HB3 ASN A 17 2.842 -11.530 7.131 1.00 10.00 H new ATOM 0 HD21 ASN A 17 3.472 -11.581 10.673 1.00 10.00 H new ATOM 0 HD22 ASN A 17 4.190 -11.421 9.067 1.00 10.00 H new ATOM 259 N SER A 18 4.460 -9.175 7.749 1.00 10.00 N ATOM 260 CA SER A 18 5.878 -8.909 7.540 1.00 10.00 C ATOM 261 C SER A 18 6.476 -9.882 6.516 1.00 10.00 C ATOM 262 O SER A 18 7.228 -10.793 6.852 1.00 10.00 O ATOM 263 CB SER A 18 6.586 -8.995 8.902 1.00 10.00 C ATOM 264 OG SER A 18 5.838 -9.818 9.785 1.00 10.00 O ATOM 0 H SER A 18 4.260 -9.453 8.710 1.00 10.00 H new ATOM 0 HA SER A 18 6.018 -7.910 7.126 1.00 10.00 H new ATOM 0 HB2 SER A 18 7.589 -9.401 8.775 1.00 10.00 H new ATOM 0 HB3 SER A 18 6.697 -7.998 9.327 1.00 10.00 H new ATOM 0 HG SER A 18 6.295 -9.870 10.650 1.00 10.00 H new ATOM 270 N LYS A 19 6.128 -9.670 5.253 1.00 10.00 N ATOM 271 CA LYS A 19 6.572 -10.456 4.115 1.00 10.00 C ATOM 272 C LYS A 19 6.207 -9.727 2.829 1.00 10.00 C ATOM 273 O LYS A 19 7.013 -9.674 1.904 1.00 10.00 O ATOM 274 CB LYS A 19 5.919 -11.853 4.115 1.00 10.00 C ATOM 275 CG LYS A 19 6.927 -12.974 4.415 1.00 10.00 C ATOM 276 CD LYS A 19 6.507 -14.288 3.737 1.00 10.00 C ATOM 277 CE LYS A 19 6.920 -14.284 2.252 1.00 10.00 C ATOM 278 NZ LYS A 19 6.371 -15.436 1.506 1.00 10.00 N ATOM 0 H LYS A 19 5.501 -8.911 4.985 1.00 10.00 H new ATOM 0 HA LYS A 19 7.652 -10.583 4.183 1.00 10.00 H new ATOM 0 HB2 LYS A 19 5.121 -11.878 4.858 1.00 10.00 H new ATOM 0 HB3 LYS A 19 5.457 -12.034 3.145 1.00 10.00 H new ATOM 0 HG2 LYS A 19 7.917 -12.681 4.066 1.00 10.00 H new ATOM 0 HG3 LYS A 19 7.000 -13.124 5.492 1.00 10.00 H new ATOM 0 HD2 LYS A 19 6.971 -15.132 4.247 1.00 10.00 H new ATOM 0 HD3 LYS A 19 5.428 -14.419 3.820 1.00 10.00 H new ATOM 0 HE2 LYS A 19 6.580 -13.359 1.787 1.00 10.00 H new ATOM 0 HE3 LYS A 19 8.008 -14.295 2.181 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 6.678 -15.385 0.514 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 6.716 -16.321 1.931 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 5.332 -15.414 1.548 1.00 10.00 H new ATOM 292 N SER A 20 4.967 -9.238 2.755 1.00 10.00 N ATOM 293 CA SER A 20 4.437 -8.621 1.558 1.00 10.00 C ATOM 294 C SER A 20 3.364 -7.619 1.992 1.00 10.00 C ATOM 295 O SER A 20 2.179 -7.910 1.937 1.00 10.00 O ATOM 296 CB SER A 20 3.950 -9.735 0.622 1.00 10.00 C ATOM 297 OG SER A 20 3.739 -9.271 -0.694 1.00 10.00 O ATOM 0 H SER A 20 4.307 -9.264 3.532 1.00 10.00 H new ATOM 0 HA SER A 20 5.177 -8.056 0.990 1.00 10.00 H new ATOM 0 HB2 SER A 20 4.683 -10.542 0.608 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.022 -10.154 1.011 1.00 10.00 H new ATOM 0 HG SER A 20 3.296 -8.397 -0.666 1.00 10.00 H new ATOM 303 N THR A 21 3.752 -6.441 2.480 1.00 10.00 N ATOM 304 CA THR A 21 2.792 -5.373 2.729 1.00 10.00 C ATOM 305 C THR A 21 2.258 -4.848 1.391 1.00 10.00 C ATOM 306 O THR A 21 2.815 -3.919 0.800 1.00 10.00 O ATOM 307 CB THR A 21 3.390 -4.297 3.647 1.00 10.00 C ATOM 308 OG1 THR A 21 3.462 -4.828 4.958 1.00 10.00 O ATOM 309 CG2 THR A 21 2.577 -2.996 3.673 1.00 10.00 C ATOM 0 H THR A 21 4.718 -6.206 2.708 1.00 10.00 H new ATOM 0 HA THR A 21 1.931 -5.755 3.277 1.00 10.00 H new ATOM 0 HB THR A 21 4.374 -4.039 3.256 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.213 -4.136 5.605 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.056 -2.281 4.341 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.528 -2.577 2.668 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.568 -3.205 4.029 1.00 10.00 H new ATOM 317 N TRP A 22 1.181 -5.489 0.926 1.00 10.00 N ATOM 318 CA TRP A 22 0.329 -5.036 -0.166 1.00 10.00 C ATOM 319 C TRP A 22 -0.845 -4.274 0.430 1.00 10.00 C ATOM 320 O TRP A 22 -0.972 -4.228 1.648 1.00 10.00 O ATOM 321 CB TRP A 22 -0.182 -6.240 -0.960 1.00 10.00 C ATOM 322 CG TRP A 22 0.828 -6.949 -1.798 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.164 -6.868 -1.651 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.614 -7.817 -2.948 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.786 -7.536 -2.674 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.884 -8.177 -3.488 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.526 -8.333 -3.594 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.018 -8.998 -4.615 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.406 -9.187 -4.703 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.861 -9.504 -5.228 1.00 10.00 C ATOM 0 H TRP A 22 0.870 -6.376 1.321 1.00 10.00 H new ATOM 0 HA TRP A 22 0.893 -4.390 -0.839 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.610 -6.957 -0.259 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.992 -5.905 -1.608 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.670 -6.354 -0.847 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.796 -7.555 -2.814 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.508 -8.068 -3.231 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.996 -9.238 -5.006 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.293 -9.604 -5.156 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.943 -10.135 -6.101 1.00 10.00 H new ATOM 341 N LEU A 23 -1.697 -3.673 -0.404 1.00 10.00 N ATOM 342 CA LEU A 23 -2.855 -2.884 0.000 1.00 10.00 C ATOM 343 C LEU A 23 -3.479 -2.274 -1.252 1.00 10.00 C ATOM 344 O LEU A 23 -2.865 -2.351 -2.317 1.00 10.00 O ATOM 345 CB LEU A 23 -2.500 -1.812 1.044 1.00 10.00 C ATOM 346 CG LEU A 23 -1.160 -1.095 0.800 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.262 -0.056 -0.310 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.719 -0.418 2.094 1.00 10.00 C ATOM 0 H LEU A 23 -1.592 -3.727 -1.417 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.578 -3.536 0.491 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.296 -1.068 1.066 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.473 -2.278 2.029 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.428 -1.839 0.486 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.294 0.425 -0.448 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.561 -0.543 -1.238 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.005 0.694 -0.039 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.230 0.093 1.932 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.474 0.306 2.401 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.598 -1.169 2.875 1.00 10.00 H new ATOM 360 N ILE A 24 -4.678 -1.691 -1.131 1.00 10.00 N ATOM 361 CA ILE A 24 -5.403 -1.077 -2.245 1.00 10.00 C ATOM 362 C ILE A 24 -5.555 0.425 -1.999 1.00 10.00 C ATOM 363 O ILE A 24 -6.227 0.854 -1.052 1.00 10.00 O ATOM 364 CB ILE A 24 -6.764 -1.756 -2.472 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.572 -3.238 -2.825 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.539 -1.077 -3.614 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.781 -4.059 -2.365 1.00 10.00 C ATOM 0 H ILE A 24 -5.177 -1.633 -0.243 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.826 -1.220 -3.158 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.332 -1.664 -1.546 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.439 -3.347 -3.901 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.666 -3.617 -2.351 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.497 -1.578 -3.752 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.710 -0.030 -3.365 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.960 -1.141 -4.535 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.629 -5.107 -2.623 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.896 -3.964 -1.285 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.680 -3.691 -2.859 1.00 10.00 H new ATOM 379 N LEU A 25 -4.923 1.215 -2.874 1.00 10.00 N ATOM 380 CA LEU A 25 -4.987 2.668 -2.903 1.00 10.00 C ATOM 381 C LEU A 25 -5.606 3.065 -4.240 1.00 10.00 C ATOM 382 O LEU A 25 -4.964 2.988 -5.285 1.00 10.00 O ATOM 383 CB LEU A 25 -3.582 3.261 -2.713 1.00 10.00 C ATOM 384 CG LEU A 25 -3.121 3.596 -1.294 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.806 2.742 -0.259 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.599 3.486 -1.162 1.00 10.00 C ATOM 0 H LEU A 25 -4.329 0.836 -3.611 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.600 3.059 -2.091 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.865 2.559 -3.138 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.524 4.174 -3.305 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.408 4.631 -1.107 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.447 3.015 0.733 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.883 2.900 -0.312 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.584 1.692 -0.449 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.304 3.730 -0.142 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.286 2.469 -1.397 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.123 4.181 -1.854 1.00 10.00 H new ATOM 398 N HIS A 26 -6.873 3.476 -4.203 1.00 10.00 N ATOM 399 CA HIS A 26 -7.604 4.001 -5.349 1.00 10.00 C ATOM 400 C HIS A 26 -7.708 2.953 -6.463 1.00 10.00 C ATOM 401 O HIS A 26 -7.454 3.263 -7.624 1.00 10.00 O ATOM 402 CB HIS A 26 -6.993 5.318 -5.859 1.00 10.00 C ATOM 403 CG HIS A 26 -6.691 6.344 -4.794 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.538 7.318 -4.312 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.476 6.525 -4.194 1.00 10.00 C ATOM 406 CE1 HIS A 26 -6.838 8.062 -3.435 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.567 7.633 -3.344 1.00 10.00 N ATOM 0 H HIS A 26 -7.432 3.451 -3.350 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.617 4.230 -5.018 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.070 5.089 -6.392 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.677 5.760 -6.583 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.597 5.917 -4.349 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.244 8.894 -2.878 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -4.822 8.033 -2.773 1.00 10.00 H new ATOM 415 N TYR A 27 -8.089 1.720 -6.106 1.00 10.00 N ATOM 416 CA TYR A 27 -8.278 0.592 -7.020 1.00 10.00 C ATOM 417 C TYR A 27 -6.956 0.066 -7.606 1.00 10.00 C ATOM 418 O TYR A 27 -6.971 -0.691 -8.580 1.00 10.00 O ATOM 419 CB TYR A 27 -9.315 0.928 -8.109 1.00 10.00 C ATOM 420 CG TYR A 27 -10.641 1.459 -7.585 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.651 0.559 -7.203 1.00 10.00 C ATOM 422 CD2 TYR A 27 -10.863 2.842 -7.449 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.833 1.025 -6.608 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.041 3.311 -6.840 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.017 2.399 -6.399 1.00 10.00 C ATOM 426 OH TYR A 27 -14.137 2.840 -5.761 1.00 10.00 O ATOM 0 H TYR A 27 -8.281 1.474 -5.135 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.680 -0.232 -6.430 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.885 1.667 -8.785 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.506 0.031 -8.698 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -11.516 -0.500 -7.369 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.128 3.544 -7.813 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.601 0.326 -6.311 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.196 4.372 -6.711 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.112 3.817 -5.695 1.00 10.00 H new ATOM 436 N LYS A 28 -5.813 0.435 -7.010 1.00 10.00 N ATOM 437 CA LYS A 28 -4.487 0.052 -7.479 1.00 10.00 C ATOM 438 C LYS A 28 -3.702 -0.583 -6.333 1.00 10.00 C ATOM 439 O LYS A 28 -3.764 -0.092 -5.203 1.00 10.00 O ATOM 440 CB LYS A 28 -3.757 1.272 -8.053 1.00 10.00 C ATOM 441 CG LYS A 28 -4.630 1.985 -9.088 1.00 10.00 C ATOM 442 CD LYS A 28 -3.891 3.092 -9.840 1.00 10.00 C ATOM 443 CE LYS A 28 -4.919 4.169 -10.210 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.368 5.175 -11.134 1.00 10.00 N ATOM 0 H LYS A 28 -5.791 1.019 -6.174 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.579 -0.684 -8.278 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.501 1.961 -7.248 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.820 0.958 -8.514 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.002 1.254 -9.805 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.499 2.412 -8.588 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.101 3.514 -9.219 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.414 2.694 -10.736 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.788 3.696 -10.668 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.266 4.664 -9.303 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.099 5.881 -11.355 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.555 5.646 -10.689 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.061 4.709 -12.012 1.00 10.00 H new ATOM 458 N VAL A 29 -3.004 -1.686 -6.630 1.00 10.00 N ATOM 459 CA VAL A 29 -2.220 -2.443 -5.668 1.00 10.00 C ATOM 460 C VAL A 29 -0.758 -1.991 -5.694 1.00 10.00 C ATOM 461 O VAL A 29 -0.171 -1.813 -6.766 1.00 10.00 O ATOM 462 CB VAL A 29 -2.342 -3.951 -5.936 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.917 -4.755 -4.699 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.779 -4.332 -6.296 1.00 10.00 C ATOM 0 H VAL A 29 -2.973 -2.080 -7.570 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.614 -2.250 -4.670 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.686 -4.186 -6.774 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.010 -5.821 -4.908 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.881 -4.523 -4.452 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.558 -4.493 -3.857 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.836 -5.405 -6.480 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.442 -4.070 -5.472 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.085 -3.793 -7.193 1.00 10.00 H new ATOM 474 N TYR A 30 -0.181 -1.826 -4.501 1.00 10.00 N ATOM 475 CA TYR A 30 1.177 -1.352 -4.288 1.00 10.00 C ATOM 476 C TYR A 30 1.877 -2.298 -3.325 1.00 10.00 C ATOM 477 O TYR A 30 1.443 -2.403 -2.179 1.00 10.00 O ATOM 478 CB TYR A 30 1.108 0.053 -3.681 1.00 10.00 C ATOM 479 CG TYR A 30 0.483 1.060 -4.619 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.220 1.571 -5.701 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.889 1.341 -4.518 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.593 2.404 -6.643 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.490 2.232 -5.420 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.748 2.773 -6.477 1.00 10.00 C ATOM 485 OH TYR A 30 -1.337 3.648 -7.341 1.00 10.00 O ATOM 0 H TYR A 30 -0.670 -2.028 -3.629 1.00 10.00 H new ATOM 0 HA TYR A 30 1.729 -1.319 -5.227 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.533 0.017 -2.756 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.114 0.381 -3.419 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.266 1.324 -5.808 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.481 0.872 -3.746 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.147 2.761 -7.498 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.529 2.502 -5.299 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.270 3.790 -7.077 1.00 10.00 H new ATOM 495 N ASP A 31 2.953 -2.961 -3.762 1.00 10.00 N ATOM 496 CA ASP A 31 3.844 -3.629 -2.823 1.00 10.00 C ATOM 497 C ASP A 31 4.781 -2.558 -2.281 1.00 10.00 C ATOM 498 O ASP A 31 5.501 -1.927 -3.055 1.00 10.00 O ATOM 499 CB ASP A 31 4.638 -4.772 -3.471 1.00 10.00 C ATOM 500 CG ASP A 31 5.466 -5.510 -2.418 1.00 10.00 C ATOM 501 OD1 ASP A 31 6.263 -4.830 -1.737 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.262 -6.736 -2.262 1.00 10.00 O ATOM 0 H ASP A 31 3.220 -3.046 -4.743 1.00 10.00 H new ATOM 0 HA ASP A 31 3.262 -4.096 -2.028 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.955 -5.467 -3.958 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.294 -4.374 -4.245 1.00 10.00 H new ATOM 507 N LEU A 32 4.742 -2.325 -0.968 1.00 10.00 N ATOM 508 CA LEU A 32 5.677 -1.442 -0.291 1.00 10.00 C ATOM 509 C LEU A 32 6.389 -2.244 0.796 1.00 10.00 C ATOM 510 O LEU A 32 6.832 -1.694 1.804 1.00 10.00 O ATOM 511 CB LEU A 32 4.926 -0.251 0.310 1.00 10.00 C ATOM 512 CG LEU A 32 3.990 0.461 -0.687 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.655 0.788 -0.008 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.715 1.688 -1.253 1.00 10.00 C ATOM 0 H LEU A 32 4.054 -2.749 -0.346 1.00 10.00 H new ATOM 0 HA LEU A 32 6.412 -1.051 -0.994 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.340 -0.595 1.162 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.650 0.469 0.691 1.00 10.00 H new ATOM 0 HG LEU A 32 3.745 -0.185 -1.530 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.999 1.291 -0.719 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.184 -0.135 0.331 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.832 1.440 0.847 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.064 2.201 -1.960 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.973 2.366 -0.439 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.625 1.370 -1.762 1.00 10.00 H new ATOM 526 N THR A 33 6.490 -3.560 0.617 1.00 10.00 N ATOM 527 CA THR A 33 6.980 -4.455 1.648 1.00 10.00 C ATOM 528 C THR A 33 8.450 -4.201 1.921 1.00 10.00 C ATOM 529 O THR A 33 8.904 -4.293 3.059 1.00 10.00 O ATOM 530 CB THR A 33 6.695 -5.913 1.279 1.00 10.00 C ATOM 531 OG1 THR A 33 6.550 -6.623 2.494 1.00 10.00 O ATOM 532 CG2 THR A 33 7.766 -6.596 0.418 1.00 10.00 C ATOM 0 H THR A 33 6.232 -4.030 -0.251 1.00 10.00 H new ATOM 0 HA THR A 33 6.445 -4.253 2.576 1.00 10.00 H new ATOM 0 HB THR A 33 5.798 -5.919 0.660 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.164 -6.255 3.163 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.467 -7.624 0.214 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.875 -6.056 -0.523 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.717 -6.594 0.951 1.00 10.00 H new ATOM 540 N LYS A 34 9.187 -3.848 0.870 1.00 10.00 N ATOM 541 CA LYS A 34 10.567 -3.444 0.962 1.00 10.00 C ATOM 542 C LYS A 34 10.650 -1.929 1.138 1.00 10.00 C ATOM 543 O LYS A 34 11.663 -1.325 0.802 1.00 10.00 O ATOM 544 CB LYS A 34 11.295 -3.964 -0.286 1.00 10.00 C ATOM 545 CG LYS A 34 12.536 -4.735 0.151 1.00 10.00 C ATOM 546 CD LYS A 34 12.169 -6.113 0.725 1.00 10.00 C ATOM 547 CE LYS A 34 13.377 -6.714 1.455 1.00 10.00 C ATOM 548 NZ LYS A 34 13.223 -8.166 1.681 1.00 10.00 N ATOM 0 H LYS A 34 8.824 -3.838 -0.083 1.00 10.00 H new ATOM 0 HA LYS A 34 11.059 -3.872 1.835 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.635 -4.609 -0.866 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.576 -3.132 -0.932 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.206 -4.861 -0.700 1.00 10.00 H new ATOM 0 HG3 LYS A 34 13.078 -4.159 0.901 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.328 -6.018 1.412 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.851 -6.778 -0.078 1.00 10.00 H new ATOM 0 HE2 LYS A 34 14.280 -6.532 0.872 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.509 -6.210 2.413 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.061 -8.531 2.177 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 12.376 -8.339 2.259 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.123 -8.651 0.766 1.00 10.00 H new ATOM 562 N PHE A 35 9.584 -1.324 1.673 1.00 10.00 N ATOM 563 CA PHE A 35 9.512 0.094 1.938 1.00 10.00 C ATOM 564 C PHE A 35 8.893 0.373 3.306 1.00 10.00 C ATOM 565 O PHE A 35 8.555 1.511 3.585 1.00 10.00 O ATOM 566 CB PHE A 35 8.712 0.778 0.824 1.00 10.00 C ATOM 567 CG PHE A 35 9.236 2.151 0.431 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.596 2.319 0.102 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.372 3.263 0.399 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.094 3.591 -0.226 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.870 4.536 0.067 1.00 10.00 C ATOM 572 CZ PHE A 35 10.230 4.699 -0.249 1.00 10.00 C ATOM 0 H PHE A 35 8.736 -1.828 1.935 1.00 10.00 H new ATOM 0 HA PHE A 35 10.523 0.501 1.955 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.714 0.135 -0.056 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.675 0.876 1.145 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.258 1.466 0.102 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.324 3.138 0.630 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.141 3.717 -0.460 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.207 5.389 0.055 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.611 5.676 -0.509 1.00 10.00 H new ATOM 582 N LEU A 36 8.719 -0.629 4.171 1.00 10.00 N ATOM 583 CA LEU A 36 8.019 -0.422 5.436 1.00 10.00 C ATOM 584 C LEU A 36 8.789 0.545 6.334 1.00 10.00 C ATOM 585 O LEU A 36 8.252 1.556 6.780 1.00 10.00 O ATOM 586 CB LEU A 36 7.804 -1.766 6.147 1.00 10.00 C ATOM 587 CG LEU A 36 6.867 -2.680 5.349 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.937 -4.110 5.892 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.431 -2.145 5.394 1.00 10.00 C ATOM 0 H LEU A 36 9.050 -1.582 4.019 1.00 10.00 H new ATOM 0 HA LEU A 36 7.046 0.021 5.223 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.764 -2.262 6.288 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.386 -1.592 7.139 1.00 10.00 H new ATOM 0 HG LEU A 36 7.189 -2.693 4.308 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.267 -4.750 5.318 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.958 -4.482 5.806 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.636 -4.117 6.939 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.779 -2.805 4.823 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.090 -2.104 6.429 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.402 -1.144 4.963 1.00 10.00 H new ATOM 601 N GLU A 37 10.050 0.205 6.598 1.00 10.00 N ATOM 602 CA GLU A 37 10.940 0.997 7.434 1.00 10.00 C ATOM 603 C GLU A 37 11.378 2.265 6.686 1.00 10.00 C ATOM 604 O GLU A 37 11.530 3.327 7.284 1.00 10.00 O ATOM 605 CB GLU A 37 12.124 0.112 7.866 1.00 10.00 C ATOM 606 CG GLU A 37 12.448 0.258 9.357 1.00 10.00 C ATOM 607 CD GLU A 37 13.437 -0.815 9.794 1.00 10.00 C ATOM 608 OE1 GLU A 37 12.954 -1.908 10.161 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.651 -0.536 9.718 1.00 10.00 O ATOM 0 H GLU A 37 10.485 -0.641 6.230 1.00 10.00 H new ATOM 0 HA GLU A 37 10.429 1.336 8.335 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.894 -0.931 7.647 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.004 0.374 7.278 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.865 1.246 9.550 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.533 0.179 9.944 1.00 10.00 H new ATOM 616 N GLU A 38 11.565 2.147 5.367 1.00 10.00 N ATOM 617 CA GLU A 38 11.992 3.237 4.503 1.00 10.00 C ATOM 618 C GLU A 38 10.922 4.328 4.440 1.00 10.00 C ATOM 619 O GLU A 38 11.228 5.518 4.488 1.00 10.00 O ATOM 620 CB GLU A 38 12.235 2.688 3.096 1.00 10.00 C ATOM 621 CG GLU A 38 13.312 1.591 3.039 1.00 10.00 C ATOM 622 CD GLU A 38 14.506 2.026 2.197 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.271 2.346 1.011 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.624 2.038 2.754 1.00 10.00 O ATOM 0 H GLU A 38 11.419 1.270 4.866 1.00 10.00 H new ATOM 0 HA GLU A 38 12.908 3.670 4.906 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.300 2.287 2.705 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.529 3.508 2.441 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.645 1.353 4.049 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.883 0.680 2.622 1.00 10.00 H new ATOM 631 N HIS A 39 9.663 3.915 4.276 1.00 10.00 N ATOM 632 CA HIS A 39 8.547 4.825 4.118 1.00 10.00 C ATOM 633 C HIS A 39 8.488 5.775 5.320 1.00 10.00 C ATOM 634 O HIS A 39 8.347 5.316 6.458 1.00 10.00 O ATOM 635 CB HIS A 39 7.236 4.044 3.970 1.00 10.00 C ATOM 636 CG HIS A 39 6.022 4.921 4.101 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.564 5.403 5.296 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.259 5.470 3.104 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.535 6.214 5.035 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.294 6.289 3.711 1.00 10.00 N ATOM 0 H HIS A 39 9.397 2.931 4.250 1.00 10.00 H new ATOM 0 HA HIS A 39 8.687 5.414 3.212 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.220 3.550 2.999 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.197 3.260 4.727 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.940 5.183 6.219 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.378 5.303 2.044 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.969 6.742 5.788 1.00 10.00 H new ATOM 648 N PRO A 40 8.517 7.095 5.088 1.00 10.00 N ATOM 649 CA PRO A 40 8.489 8.084 6.148 1.00 10.00 C ATOM 650 C PRO A 40 7.108 8.090 6.812 1.00 10.00 C ATOM 651 O PRO A 40 6.222 8.853 6.438 1.00 10.00 O ATOM 652 CB PRO A 40 8.859 9.408 5.475 1.00 10.00 C ATOM 653 CG PRO A 40 8.379 9.222 4.038 1.00 10.00 C ATOM 654 CD PRO A 40 8.559 7.729 3.780 1.00 10.00 C ATOM 0 HA PRO A 40 9.191 7.879 6.956 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.368 10.254 5.956 1.00 10.00 H new ATOM 0 HB3 PRO A 40 9.932 9.595 5.519 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.338 9.525 3.922 1.00 10.00 H new ATOM 0 HG3 PRO A 40 8.965 9.821 3.341 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.769 7.346 3.134 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.506 7.530 3.279 1.00 10.00 H new ATOM 662 N GLY A 41 6.927 7.205 7.792 1.00 10.00 N ATOM 663 CA GLY A 41 5.710 7.085 8.582 1.00 10.00 C ATOM 664 C GLY A 41 5.935 6.191 9.797 1.00 10.00 C ATOM 665 O GLY A 41 5.462 6.500 10.887 1.00 10.00 O ATOM 0 H GLY A 41 7.646 6.534 8.063 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.384 8.073 8.908 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.911 6.673 7.966 1.00 10.00 H new ATOM 669 N GLY A 42 6.657 5.081 9.606 1.00 10.00 N ATOM 670 CA GLY A 42 6.899 4.097 10.648 1.00 10.00 C ATOM 671 C GLY A 42 6.069 2.848 10.370 1.00 10.00 C ATOM 672 O GLY A 42 4.851 2.926 10.189 1.00 10.00 O ATOM 0 H GLY A 42 7.090 4.845 8.713 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.958 3.842 10.684 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.638 4.511 11.622 1.00 10.00 H new ATOM 676 N GLU A 43 6.735 1.692 10.310 1.00 10.00 N ATOM 677 CA GLU A 43 6.087 0.407 10.142 1.00 10.00 C ATOM 678 C GLU A 43 5.106 0.170 11.294 1.00 10.00 C ATOM 679 O GLU A 43 5.484 -0.093 12.428 1.00 10.00 O ATOM 680 CB GLU A 43 7.143 -0.697 9.998 1.00 10.00 C ATOM 681 CG GLU A 43 8.114 -0.855 11.188 1.00 10.00 C ATOM 682 CD GLU A 43 7.765 -1.992 12.152 1.00 10.00 C ATOM 683 OE1 GLU A 43 7.342 -3.064 11.657 1.00 10.00 O ATOM 684 OE2 GLU A 43 7.950 -1.798 13.370 1.00 10.00 O ATOM 0 H GLU A 43 7.751 1.631 10.378 1.00 10.00 H new ATOM 0 HA GLU A 43 5.500 0.392 9.224 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.630 -1.646 9.843 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.728 -0.500 9.100 1.00 10.00 H new ATOM 0 HG2 GLU A 43 9.119 -1.022 10.800 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.139 0.081 11.746 1.00 10.00 H new ATOM 691 N ALA A 44 3.824 0.314 10.986 1.00 10.00 N ATOM 692 CA ALA A 44 2.715 0.200 11.914 1.00 10.00 C ATOM 693 C ALA A 44 1.488 0.536 11.096 1.00 10.00 C ATOM 694 O ALA A 44 0.712 -0.353 10.765 1.00 10.00 O ATOM 695 CB ALA A 44 2.855 1.157 13.105 1.00 10.00 C ATOM 0 H ALA A 44 3.518 0.523 10.036 1.00 10.00 H new ATOM 0 HA ALA A 44 2.667 -0.798 12.350 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.001 1.035 13.772 1.00 10.00 H new ATOM 0 HB2 ALA A 44 3.774 0.932 13.647 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.889 2.185 12.744 1.00 10.00 H new ATOM 701 N VAL A 45 1.366 1.798 10.678 1.00 10.00 N ATOM 702 CA VAL A 45 0.284 2.176 9.792 1.00 10.00 C ATOM 703 C VAL A 45 0.427 1.435 8.461 1.00 10.00 C ATOM 704 O VAL A 45 -0.553 0.805 8.059 1.00 10.00 O ATOM 705 CB VAL A 45 0.106 3.699 9.687 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.256 4.392 8.951 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.245 4.033 9.035 1.00 10.00 C ATOM 0 H VAL A 45 1.995 2.557 10.938 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.665 1.854 10.220 1.00 10.00 H new ATOM 0 HB VAL A 45 0.121 4.089 10.705 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.069 5.465 8.912 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.191 4.206 9.480 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.328 3.999 7.937 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.358 5.115 8.967 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.283 3.600 8.035 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.053 3.621 9.640 1.00 10.00 H new ATOM 717 N LEU A 46 1.602 1.415 7.788 1.00 10.00 N ATOM 718 CA LEU A 46 1.588 0.694 6.515 1.00 10.00 C ATOM 719 C LEU A 46 1.283 -0.801 6.676 1.00 10.00 C ATOM 720 O LEU A 46 0.732 -1.412 5.767 1.00 10.00 O ATOM 721 CB LEU A 46 2.893 0.932 5.758 1.00 10.00 C ATOM 722 CG LEU A 46 3.123 2.446 5.654 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.265 2.889 6.578 1.00 10.00 C ATOM 724 CD2 LEU A 46 3.329 2.858 4.196 1.00 10.00 C ATOM 0 H LEU A 46 2.482 1.844 8.073 1.00 10.00 H new ATOM 0 HA LEU A 46 0.766 1.096 5.923 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.725 0.457 6.278 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.842 0.487 4.764 1.00 10.00 H new ATOM 0 HG LEU A 46 2.232 2.969 6.001 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.410 3.966 6.487 1.00 10.00 H new ATOM 0 HD12 LEU A 46 4.015 2.642 7.610 1.00 10.00 H new ATOM 0 HD13 LEU A 46 5.183 2.374 6.294 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.491 3.935 4.141 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.198 2.340 3.791 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.445 2.594 3.615 1.00 10.00 H new ATOM 736 N ARG A 47 1.626 -1.389 7.828 1.00 10.00 N ATOM 737 CA ARG A 47 1.427 -2.807 8.088 1.00 10.00 C ATOM 738 C ARG A 47 -0.039 -3.089 8.426 1.00 10.00 C ATOM 739 O ARG A 47 -0.625 -4.025 7.898 1.00 10.00 O ATOM 740 CB ARG A 47 2.347 -3.241 9.234 1.00 10.00 C ATOM 741 CG ARG A 47 2.367 -4.768 9.442 1.00 10.00 C ATOM 742 CD ARG A 47 3.494 -5.505 8.691 1.00 10.00 C ATOM 743 NE ARG A 47 4.402 -6.187 9.635 1.00 10.00 N ATOM 744 CZ ARG A 47 5.269 -5.548 10.439 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.433 -4.238 10.299 1.00 10.00 N ATOM 746 NH2 ARG A 47 5.964 -6.199 11.377 1.00 10.00 N ATOM 0 H ARG A 47 2.051 -0.886 8.606 1.00 10.00 H new ATOM 0 HA ARG A 47 1.676 -3.380 7.195 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.360 -2.894 9.031 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.023 -2.758 10.156 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.463 -4.975 10.508 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.408 -5.177 9.123 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.062 -6.234 8.005 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.058 -4.794 8.087 1.00 10.00 H new ATOM 0 HE ARG A 47 4.369 -7.205 9.680 1.00 10.00 H new ATOM 0 HH11 ARG A 47 4.905 -3.731 9.589 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.087 -3.739 10.902 1.00 10.00 H new ATOM 0 HH21 ARG A 47 5.843 -7.205 11.496 1.00 10.00 H new ATOM 0 HH22 ARG A 47 6.616 -5.690 11.974 1.00 10.00 H new ATOM 760 N ALA A 48 -0.628 -2.303 9.326 1.00 10.00 N ATOM 761 CA ALA A 48 -1.969 -2.547 9.845 1.00 10.00 C ATOM 762 C ALA A 48 -2.989 -2.526 8.713 1.00 10.00 C ATOM 763 O ALA A 48 -3.837 -3.407 8.604 1.00 10.00 O ATOM 764 CB ALA A 48 -2.303 -1.485 10.894 1.00 10.00 C ATOM 0 H ALA A 48 -0.183 -1.473 9.717 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.005 -3.532 10.310 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.305 -1.663 11.285 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.580 -1.538 11.708 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.262 -0.496 10.437 1.00 10.00 H new ATOM 770 N GLN A 49 -2.871 -1.514 7.857 1.00 10.00 N ATOM 771 CA GLN A 49 -3.714 -1.334 6.693 1.00 10.00 C ATOM 772 C GLN A 49 -3.296 -2.253 5.539 1.00 10.00 C ATOM 773 O GLN A 49 -3.979 -2.302 4.516 1.00 10.00 O ATOM 774 CB GLN A 49 -3.592 0.138 6.305 1.00 10.00 C ATOM 775 CG GLN A 49 -4.659 1.015 6.978 1.00 10.00 C ATOM 776 CD GLN A 49 -4.612 1.035 8.508 1.00 10.00 C ATOM 777 OE1 GLN A 49 -4.900 0.043 9.167 1.00 10.00 O ATOM 778 NE2 GLN A 49 -4.294 2.178 9.109 1.00 10.00 N ATOM 0 H GLN A 49 -2.168 -0.783 7.962 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.747 -1.600 6.917 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.602 0.502 6.579 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.678 0.233 5.223 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.551 2.036 6.613 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -5.643 0.667 6.665 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.056 2.998 8.551 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.288 2.234 10.127 1.00 10.00 H new ATOM 787 N ALA A 50 -2.169 -2.957 5.675 1.00 10.00 N ATOM 788 CA ALA A 50 -1.729 -3.898 4.659 1.00 10.00 C ATOM 789 C ALA A 50 -2.774 -4.990 4.434 1.00 10.00 C ATOM 790 O ALA A 50 -3.536 -5.332 5.335 1.00 10.00 O ATOM 791 CB ALA A 50 -0.401 -4.559 5.027 1.00 10.00 C ATOM 0 H ALA A 50 -1.549 -2.888 6.482 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.593 -3.321 3.744 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.110 -5.254 4.240 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.368 -3.794 5.138 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.512 -5.100 5.966 1.00 10.00 H new ATOM 797 N GLY A 51 -2.773 -5.564 3.232 1.00 10.00 N ATOM 798 CA GLY A 51 -3.718 -6.572 2.803 1.00 10.00 C ATOM 799 C GLY A 51 -5.146 -6.110 3.072 1.00 10.00 C ATOM 800 O GLY A 51 -5.910 -6.775 3.763 1.00 10.00 O ATOM 0 H GLY A 51 -2.089 -5.327 2.513 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.588 -6.772 1.739 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.526 -7.507 3.329 1.00 10.00 H new ATOM 804 N GLY A 52 -5.513 -4.962 2.509 1.00 10.00 N ATOM 805 CA GLY A 52 -6.835 -4.399 2.672 1.00 10.00 C ATOM 806 C GLY A 52 -6.909 -3.100 1.889 1.00 10.00 C ATOM 807 O GLY A 52 -5.948 -2.721 1.207 1.00 10.00 O ATOM 0 H GLY A 52 -4.893 -4.400 1.926 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.591 -5.099 2.316 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.041 -4.217 3.727 1.00 10.00 H new ATOM 811 N ASP A 53 -8.046 -2.412 1.986 1.00 10.00 N ATOM 812 CA ASP A 53 -8.126 -1.052 1.503 1.00 10.00 C ATOM 813 C ASP A 53 -7.343 -0.175 2.472 1.00 10.00 C ATOM 814 O ASP A 53 -7.359 -0.392 3.683 1.00 10.00 O ATOM 815 CB ASP A 53 -9.584 -0.599 1.365 1.00 10.00 C ATOM 816 CG ASP A 53 -10.180 -0.171 2.697 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.616 -1.082 3.433 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.167 1.056 2.940 1.00 10.00 O ATOM 0 H ASP A 53 -8.909 -2.776 2.390 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.693 -0.973 0.506 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.640 0.231 0.660 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.178 -1.412 0.948 1.00 10.00 H new ATOM 823 N ALA A 54 -6.640 0.815 1.934 1.00 10.00 N ATOM 824 CA ALA A 54 -6.140 1.896 2.764 1.00 10.00 C ATOM 825 C ALA A 54 -6.269 3.199 2.002 1.00 10.00 C ATOM 826 O ALA A 54 -5.489 4.118 2.219 1.00 10.00 O ATOM 827 CB ALA A 54 -4.700 1.611 3.184 1.00 10.00 C ATOM 0 H ALA A 54 -6.408 0.889 0.943 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.727 1.977 3.679 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.334 2.428 3.806 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.663 0.680 3.749 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.073 1.522 2.297 1.00 10.00 H new ATOM 833 N THR A 55 -7.234 3.279 1.083 1.00 10.00 N ATOM 834 CA THR A 55 -7.365 4.436 0.219 1.00 10.00 C ATOM 835 C THR A 55 -7.736 5.646 1.078 1.00 10.00 C ATOM 836 O THR A 55 -7.028 6.652 1.072 1.00 10.00 O ATOM 837 CB THR A 55 -8.364 4.130 -0.907 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.984 2.969 -1.629 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.361 5.279 -1.910 1.00 10.00 C ATOM 0 H THR A 55 -7.932 2.552 0.924 1.00 10.00 H new ATOM 0 HA THR A 55 -6.425 4.677 -0.278 1.00 10.00 H new ATOM 0 HB THR A 55 -9.342 3.987 -0.447 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.374 2.430 -1.084 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.069 5.065 -2.711 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.650 6.202 -1.407 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.362 5.393 -2.330 1.00 10.00 H new ATOM 847 N ALA A 56 -8.805 5.511 1.869 1.00 10.00 N ATOM 848 CA ALA A 56 -9.252 6.544 2.793 1.00 10.00 C ATOM 849 C ALA A 56 -8.154 6.884 3.810 1.00 10.00 C ATOM 850 O ALA A 56 -7.954 8.037 4.163 1.00 10.00 O ATOM 851 CB ALA A 56 -10.539 6.085 3.484 1.00 10.00 C ATOM 0 H ALA A 56 -9.386 4.672 1.882 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.463 7.457 2.237 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.875 6.857 4.176 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.311 5.908 2.735 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.348 5.163 4.033 1.00 10.00 H new ATOM 857 N ASN A 57 -7.421 5.875 4.280 1.00 10.00 N ATOM 858 CA ASN A 57 -6.341 6.045 5.248 1.00 10.00 C ATOM 859 C ASN A 57 -5.211 6.891 4.636 1.00 10.00 C ATOM 860 O ASN A 57 -4.759 7.884 5.207 1.00 10.00 O ATOM 861 CB ASN A 57 -5.850 4.651 5.685 1.00 10.00 C ATOM 862 CG ASN A 57 -5.852 4.467 7.199 1.00 10.00 C ATOM 863 OD1 ASN A 57 -4.828 4.622 7.857 1.00 10.00 O ATOM 864 ND2 ASN A 57 -6.983 4.063 7.768 1.00 10.00 N ATOM 0 H ASN A 57 -7.563 4.906 3.995 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.696 6.579 6.129 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.484 3.890 5.231 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.840 4.492 5.306 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.011 3.875 8.770 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.823 3.940 7.202 1.00 10.00 H new ATOM 871 N PHE A 58 -4.764 6.484 3.447 1.00 10.00 N ATOM 872 CA PHE A 58 -3.742 7.143 2.647 1.00 10.00 C ATOM 873 C PHE A 58 -4.103 8.606 2.388 1.00 10.00 C ATOM 874 O PHE A 58 -3.285 9.502 2.616 1.00 10.00 O ATOM 875 CB PHE A 58 -3.585 6.373 1.327 1.00 10.00 C ATOM 876 CG PHE A 58 -2.630 6.995 0.327 1.00 10.00 C ATOM 877 CD1 PHE A 58 -3.078 7.989 -0.561 1.00 10.00 C ATOM 878 CD2 PHE A 58 -1.293 6.573 0.279 1.00 10.00 C ATOM 879 CE1 PHE A 58 -2.169 8.613 -1.431 1.00 10.00 C ATOM 880 CE2 PHE A 58 -0.398 7.154 -0.636 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.834 8.180 -1.488 1.00 10.00 C ATOM 0 H PHE A 58 -5.126 5.643 2.997 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.796 7.140 3.189 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.243 5.363 1.552 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.566 6.280 0.860 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.120 8.272 -0.574 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -0.950 5.798 0.948 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.498 9.428 -2.058 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.625 6.811 -0.683 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.146 8.635 -2.185 1.00 10.00 H new ATOM 891 N GLU A 59 -5.308 8.842 1.857 1.00 10.00 N ATOM 892 CA GLU A 59 -5.741 10.180 1.486 1.00 10.00 C ATOM 893 C GLU A 59 -6.006 11.041 2.724 1.00 10.00 C ATOM 894 O GLU A 59 -5.667 12.222 2.717 1.00 10.00 O ATOM 895 CB GLU A 59 -6.897 10.111 0.481 1.00 10.00 C ATOM 896 CG GLU A 59 -8.186 9.507 1.038 1.00 10.00 C ATOM 897 CD GLU A 59 -9.211 10.565 1.416 1.00 10.00 C ATOM 898 OE1 GLU A 59 -9.891 11.036 0.480 1.00 10.00 O ATOM 899 OE2 GLU A 59 -9.289 10.882 2.620 1.00 10.00 O ATOM 0 H GLU A 59 -5.999 8.114 1.676 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.935 10.695 0.963 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.109 11.118 0.120 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.578 9.524 -0.380 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.619 8.836 0.296 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.951 8.904 1.915 1.00 10.00 H new ATOM 906 N ALA A 60 -6.531 10.438 3.797 1.00 10.00 N ATOM 907 CA ALA A 60 -6.734 11.107 5.077 1.00 10.00 C ATOM 908 C ALA A 60 -5.438 11.757 5.557 1.00 10.00 C ATOM 909 O ALA A 60 -5.437 12.928 5.931 1.00 10.00 O ATOM 910 CB ALA A 60 -7.269 10.125 6.126 1.00 10.00 C ATOM 0 H ALA A 60 -6.828 9.462 3.796 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.478 11.891 4.936 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.413 10.646 7.072 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.221 9.716 5.789 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.554 9.314 6.263 1.00 10.00 H new ATOM 916 N VAL A 61 -4.333 11.004 5.552 1.00 10.00 N ATOM 917 CA VAL A 61 -3.027 11.581 5.856 1.00 10.00 C ATOM 918 C VAL A 61 -2.644 12.583 4.762 1.00 10.00 C ATOM 919 O VAL A 61 -2.255 13.711 5.058 1.00 10.00 O ATOM 920 CB VAL A 61 -1.976 10.472 6.034 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.571 11.060 6.245 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.341 9.596 7.240 1.00 10.00 C ATOM 0 H VAL A 61 -4.320 10.006 5.343 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.072 12.123 6.801 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.968 9.872 5.124 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.148 10.250 6.367 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.295 11.662 5.380 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.569 11.685 7.138 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.593 8.813 7.360 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.371 10.210 8.140 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.319 9.142 7.077 1.00 10.00 H new ATOM 932 N GLY A 62 -2.759 12.171 3.499 1.00 10.00 N ATOM 933 CA GLY A 62 -2.392 13.005 2.367 1.00 10.00 C ATOM 934 C GLY A 62 -0.925 12.784 2.007 1.00 10.00 C ATOM 935 O GLY A 62 -0.149 12.264 2.806 1.00 10.00 O ATOM 0 H GLY A 62 -3.110 11.249 3.238 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.024 12.769 1.511 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.561 14.054 2.608 1.00 10.00 H new ATOM 939 N HIS A 63 -0.568 13.120 0.765 1.00 10.00 N ATOM 940 CA HIS A 63 0.671 12.713 0.126 1.00 10.00 C ATOM 941 C HIS A 63 0.917 13.657 -1.060 1.00 10.00 C ATOM 942 O HIS A 63 -0.053 14.116 -1.667 1.00 10.00 O ATOM 943 CB HIS A 63 0.504 11.264 -0.359 1.00 10.00 C ATOM 944 CG HIS A 63 0.642 10.202 0.711 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.351 9.609 1.468 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.815 9.589 1.040 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.235 8.668 2.237 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.558 8.605 2.000 1.00 10.00 N ATOM 0 H HIS A 63 -1.155 13.700 0.165 1.00 10.00 H new ATOM 0 HA HIS A 63 1.518 12.763 0.810 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.478 11.164 -0.822 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.244 11.071 -1.136 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.344 9.840 1.449 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.784 9.825 0.627 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.289 8.047 2.949 1.00 10.00 H new ATOM 956 N SER A 64 2.185 13.950 -1.383 1.00 10.00 N ATOM 957 CA SER A 64 2.555 14.893 -2.443 1.00 10.00 C ATOM 958 C SER A 64 2.775 14.188 -3.785 1.00 10.00 C ATOM 959 O SER A 64 2.751 12.963 -3.871 1.00 10.00 O ATOM 960 CB SER A 64 3.813 15.683 -2.049 1.00 10.00 C ATOM 961 OG SER A 64 3.995 16.751 -2.963 1.00 10.00 O ATOM 0 H SER A 64 2.988 13.534 -0.911 1.00 10.00 H new ATOM 0 HA SER A 64 1.722 15.585 -2.564 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.712 16.069 -1.035 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.685 15.029 -2.056 1.00 10.00 H new ATOM 0 HG SER A 64 4.795 17.260 -2.716 1.00 10.00 H new ATOM 967 N THR A 65 3.046 14.972 -4.828 1.00 10.00 N ATOM 968 CA THR A 65 3.362 14.522 -6.178 1.00 10.00 C ATOM 969 C THR A 65 4.430 13.431 -6.148 1.00 10.00 C ATOM 970 O THR A 65 4.271 12.389 -6.772 1.00 10.00 O ATOM 971 CB THR A 65 3.883 15.729 -6.969 1.00 10.00 C ATOM 972 OG1 THR A 65 4.757 16.460 -6.126 1.00 10.00 O ATOM 973 CG2 THR A 65 2.731 16.634 -7.414 1.00 10.00 C ATOM 0 H THR A 65 3.051 15.989 -4.747 1.00 10.00 H new ATOM 0 HA THR A 65 2.469 14.108 -6.645 1.00 10.00 H new ATOM 0 HB THR A 65 4.401 15.380 -7.862 1.00 10.00 H new ATOM 0 HG1 THR A 65 5.105 17.237 -6.611 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.129 17.481 -7.972 1.00 10.00 H new ATOM 0 HG22 THR A 65 2.049 16.069 -8.049 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.194 16.997 -6.538 1.00 10.00 H new ATOM 981 N ASP A 66 5.508 13.671 -5.400 1.00 10.00 N ATOM 982 CA ASP A 66 6.598 12.720 -5.224 1.00 10.00 C ATOM 983 C ASP A 66 6.048 11.344 -4.857 1.00 10.00 C ATOM 984 O ASP A 66 6.322 10.351 -5.517 1.00 10.00 O ATOM 985 CB ASP A 66 7.533 13.238 -4.123 1.00 10.00 C ATOM 986 CG ASP A 66 8.956 12.741 -4.325 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.108 11.512 -4.476 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.859 13.604 -4.314 1.00 10.00 O ATOM 0 H ASP A 66 5.647 14.545 -4.893 1.00 10.00 H new ATOM 0 HA ASP A 66 7.154 12.621 -6.156 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.524 14.328 -4.119 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.167 12.912 -3.149 1.00 10.00 H new ATOM 993 N ALA A 67 5.178 11.305 -3.846 1.00 10.00 N ATOM 994 CA ALA A 67 4.472 10.092 -3.460 1.00 10.00 C ATOM 995 C ALA A 67 3.591 9.588 -4.600 1.00 10.00 C ATOM 996 O ALA A 67 3.611 8.396 -4.895 1.00 10.00 O ATOM 997 CB ALA A 67 3.639 10.312 -2.197 1.00 10.00 C ATOM 0 H ALA A 67 4.946 12.117 -3.274 1.00 10.00 H new ATOM 0 HA ALA A 67 5.221 9.331 -3.241 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.124 9.388 -1.935 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.293 10.608 -1.377 1.00 10.00 H new ATOM 0 HB3 ALA A 67 2.905 11.097 -2.377 1.00 10.00 H new ATOM 1003 N ARG A 68 2.806 10.469 -5.227 1.00 10.00 N ATOM 1004 CA ARG A 68 1.920 10.087 -6.320 1.00 10.00 C ATOM 1005 C ARG A 68 2.712 9.351 -7.425 1.00 10.00 C ATOM 1006 O ARG A 68 2.220 8.383 -8.005 1.00 10.00 O ATOM 1007 CB ARG A 68 1.196 11.314 -6.905 1.00 10.00 C ATOM 1008 CG ARG A 68 0.298 12.075 -5.913 1.00 10.00 C ATOM 1009 CD ARG A 68 -1.015 11.338 -5.647 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.841 12.044 -4.652 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.925 11.531 -4.043 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -3.341 10.294 -4.347 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.582 12.255 -3.129 1.00 10.00 N ATOM 0 H ARG A 68 2.770 11.460 -4.990 1.00 10.00 H new ATOM 0 HA ARG A 68 1.165 9.410 -5.919 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.943 12.004 -7.299 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.586 10.989 -7.748 1.00 10.00 H new ATOM 0 HG2 ARG A 68 0.832 12.214 -4.973 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.083 13.068 -6.307 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -1.572 11.238 -6.579 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.802 10.329 -5.294 1.00 10.00 H new ATOM 0 HE ARG A 68 -1.570 12.996 -4.406 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -2.836 9.742 -5.040 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -4.163 9.905 -3.885 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -3.260 13.194 -2.895 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.404 11.867 -2.666 1.00 10.00 H new ATOM 1027 N GLU A 69 3.938 9.812 -7.701 1.00 10.00 N ATOM 1028 CA GLU A 69 4.825 9.317 -8.752 1.00 10.00 C ATOM 1029 C GLU A 69 5.531 8.043 -8.277 1.00 10.00 C ATOM 1030 O GLU A 69 5.561 7.019 -8.955 1.00 10.00 O ATOM 1031 CB GLU A 69 5.818 10.436 -9.103 1.00 10.00 C ATOM 1032 CG GLU A 69 5.288 11.361 -10.213 1.00 10.00 C ATOM 1033 CD GLU A 69 5.751 10.931 -11.603 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.752 9.706 -11.851 1.00 10.00 O ATOM 1035 OE2 GLU A 69 6.090 11.840 -12.391 1.00 10.00 O ATOM 0 H GLU A 69 4.355 10.577 -7.170 1.00 10.00 H new ATOM 0 HA GLU A 69 4.265 9.053 -9.649 1.00 10.00 H new ATOM 0 HB2 GLU A 69 6.027 11.026 -8.211 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.762 9.994 -9.422 1.00 10.00 H new ATOM 0 HG2 GLU A 69 4.198 11.371 -10.184 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.622 12.381 -10.022 1.00 10.00 H new ATOM 1042 N LEU A 70 6.080 8.088 -7.068 1.00 10.00 N ATOM 1043 CA LEU A 70 6.757 6.965 -6.447 1.00 10.00 C ATOM 1044 C LEU A 70 5.809 5.766 -6.398 1.00 10.00 C ATOM 1045 O LEU A 70 6.113 4.685 -6.890 1.00 10.00 O ATOM 1046 CB LEU A 70 7.284 7.420 -5.079 1.00 10.00 C ATOM 1047 CG LEU A 70 8.067 6.418 -4.220 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.613 5.268 -5.039 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.195 7.095 -3.443 1.00 10.00 C ATOM 0 H LEU A 70 6.064 8.924 -6.484 1.00 10.00 H new ATOM 0 HA LEU A 70 7.621 6.632 -7.023 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.925 8.286 -5.243 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.431 7.762 -4.493 1.00 10.00 H new ATOM 0 HG LEU A 70 7.354 6.011 -3.503 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.159 4.585 -4.388 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.789 4.736 -5.513 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.285 5.654 -5.806 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.724 6.351 -2.848 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.889 7.561 -4.142 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.777 7.856 -2.784 1.00 10.00 H new ATOM 1061 N SER A 71 4.624 5.982 -5.843 1.00 10.00 N ATOM 1062 CA SER A 71 3.510 5.047 -5.858 1.00 10.00 C ATOM 1063 C SER A 71 3.445 4.296 -7.194 1.00 10.00 C ATOM 1064 O SER A 71 3.560 3.075 -7.201 1.00 10.00 O ATOM 1065 CB SER A 71 2.219 5.804 -5.521 1.00 10.00 C ATOM 1066 OG SER A 71 1.119 4.935 -5.404 1.00 10.00 O ATOM 0 H SER A 71 4.405 6.848 -5.351 1.00 10.00 H new ATOM 0 HA SER A 71 3.650 4.279 -5.097 1.00 10.00 H new ATOM 0 HB2 SER A 71 2.351 6.350 -4.587 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.018 6.543 -6.297 1.00 10.00 H new ATOM 0 HG SER A 71 0.977 4.470 -6.255 1.00 10.00 H new ATOM 1072 N LYS A 72 3.346 4.998 -8.327 1.00 10.00 N ATOM 1073 CA LYS A 72 3.388 4.375 -9.648 1.00 10.00 C ATOM 1074 C LYS A 72 4.596 3.437 -9.828 1.00 10.00 C ATOM 1075 O LYS A 72 4.437 2.319 -10.310 1.00 10.00 O ATOM 1076 CB LYS A 72 3.384 5.475 -10.721 1.00 10.00 C ATOM 1077 CG LYS A 72 1.973 5.814 -11.195 1.00 10.00 C ATOM 1078 CD LYS A 72 1.600 4.857 -12.335 1.00 10.00 C ATOM 1079 CE LYS A 72 0.255 5.225 -12.968 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.093 4.299 -14.067 1.00 10.00 N ATOM 0 H LYS A 72 3.235 6.012 -8.352 1.00 10.00 H new ATOM 0 HA LYS A 72 2.502 3.748 -9.753 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.856 6.372 -10.321 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.983 5.152 -11.572 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.264 5.718 -10.373 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.926 6.848 -11.538 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.379 4.879 -13.097 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.555 3.837 -11.954 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.526 5.200 -12.208 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.297 6.245 -13.349 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.009 4.574 -14.476 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.641 4.342 -14.802 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.156 3.329 -13.697 1.00 10.00 H new ATOM 1094 N THR A 73 5.795 3.851 -9.423 1.00 10.00 N ATOM 1095 CA THR A 73 6.986 3.000 -9.432 1.00 10.00 C ATOM 1096 C THR A 73 6.816 1.745 -8.562 1.00 10.00 C ATOM 1097 O THR A 73 7.423 0.717 -8.856 1.00 10.00 O ATOM 1098 CB THR A 73 8.239 3.837 -9.087 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.662 4.535 -10.240 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.424 3.034 -8.540 1.00 10.00 C ATOM 0 H THR A 73 5.970 4.794 -9.076 1.00 10.00 H new ATOM 0 HA THR A 73 7.130 2.612 -10.440 1.00 10.00 H new ATOM 0 HB THR A 73 7.931 4.508 -8.285 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.456 5.069 -10.026 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.254 3.708 -8.328 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.127 2.525 -7.623 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.736 2.296 -9.279 1.00 10.00 H new ATOM 1108 N PHE A 74 5.977 1.801 -7.526 1.00 10.00 N ATOM 1109 CA PHE A 74 5.638 0.648 -6.691 1.00 10.00 C ATOM 1110 C PHE A 74 4.378 -0.070 -7.174 1.00 10.00 C ATOM 1111 O PHE A 74 3.948 -1.031 -6.533 1.00 10.00 O ATOM 1112 CB PHE A 74 5.455 1.069 -5.224 1.00 10.00 C ATOM 1113 CG PHE A 74 6.737 1.357 -4.474 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.707 0.345 -4.345 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.889 2.563 -3.767 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.874 0.576 -3.601 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.036 2.775 -2.985 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.043 1.799 -2.934 1.00 10.00 C ATOM 0 H PHE A 74 5.508 2.660 -7.240 1.00 10.00 H new ATOM 0 HA PHE A 74 6.474 -0.047 -6.771 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.827 1.959 -5.193 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.915 0.280 -4.700 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.552 -0.612 -4.820 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.125 3.324 -3.825 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.639 -0.184 -3.542 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.143 3.690 -2.422 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.950 1.990 -2.380 1.00 10.00 H new ATOM 1128 N ILE A 75 3.751 0.381 -8.263 1.00 10.00 N ATOM 1129 CA ILE A 75 2.553 -0.282 -8.754 1.00 10.00 C ATOM 1130 C ILE A 75 2.909 -1.715 -9.160 1.00 10.00 C ATOM 1131 O ILE A 75 3.864 -1.930 -9.904 1.00 10.00 O ATOM 1132 CB ILE A 75 1.897 0.540 -9.877 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.383 0.526 -9.668 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.300 0.098 -11.289 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.369 1.209 -10.797 1.00 10.00 C ATOM 0 H ILE A 75 4.050 1.189 -8.810 1.00 10.00 H new ATOM 0 HA ILE A 75 1.800 -0.347 -7.968 1.00 10.00 H new ATOM 0 HB ILE A 75 2.268 1.563 -9.810 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.042 -0.505 -9.581 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.145 1.021 -8.726 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.796 0.725 -12.024 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.379 0.196 -11.407 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.011 -0.942 -11.441 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.440 1.170 -10.597 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.051 2.249 -10.869 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.157 0.699 -11.737 1.00 10.00 H new ATOM 1147 N ILE A 76 2.154 -2.699 -8.669 1.00 10.00 N ATOM 1148 CA ILE A 76 2.352 -4.104 -9.027 1.00 10.00 C ATOM 1149 C ILE A 76 1.231 -4.622 -9.933 1.00 10.00 C ATOM 1150 O ILE A 76 1.299 -5.748 -10.433 1.00 10.00 O ATOM 1151 CB ILE A 76 2.507 -4.953 -7.759 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.408 -4.618 -6.740 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.900 -4.747 -7.145 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.334 -5.646 -5.614 1.00 10.00 C ATOM 0 H ILE A 76 1.389 -2.544 -8.013 1.00 10.00 H new ATOM 0 HA ILE A 76 3.273 -4.186 -9.604 1.00 10.00 H new ATOM 0 HB ILE A 76 2.403 -6.003 -8.033 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.595 -3.631 -6.317 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.445 -4.569 -7.249 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.995 -5.356 -6.246 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.663 -5.042 -7.866 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.032 -3.696 -6.887 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.543 -5.367 -4.918 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.119 -6.629 -6.033 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.287 -5.677 -5.086 1.00 10.00 H new ATOM 1166 N GLY A 77 0.198 -3.803 -10.141 1.00 10.00 N ATOM 1167 CA GLY A 77 -0.920 -4.074 -11.019 1.00 10.00 C ATOM 1168 C GLY A 77 -2.084 -3.234 -10.540 1.00 10.00 C ATOM 1169 O GLY A 77 -1.886 -2.129 -10.036 1.00 10.00 O ATOM 0 H GLY A 77 0.124 -2.897 -9.678 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.667 -3.827 -12.050 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.177 -5.133 -10.998 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.287 -3.783 -10.672 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.518 -3.108 -10.346 1.00 10.00 C ATOM 1175 C GLU A 78 -5.457 -4.076 -9.629 1.00 10.00 C ATOM 1176 O GLU A 78 -5.208 -5.282 -9.561 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.122 -2.506 -11.621 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.694 -1.053 -11.831 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.420 -0.411 -13.004 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -5.297 -0.964 -14.116 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.092 0.615 -12.760 1.00 10.00 O ATOM 0 H GLU A 78 -3.426 -4.733 -11.018 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.338 -2.280 -9.660 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.817 -3.101 -12.482 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.209 -2.559 -11.566 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.893 -0.481 -10.924 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.619 -1.013 -12.004 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.535 -3.529 -9.075 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.572 -4.304 -8.415 1.00 10.00 C ATOM 1190 C LEU A 79 -8.312 -5.156 -9.454 1.00 10.00 C ATOM 1191 O LEU A 79 -8.682 -4.646 -10.512 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.527 -3.318 -7.735 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.757 -4.008 -7.126 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.459 -4.456 -5.692 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.959 -3.066 -7.201 1.00 10.00 C ATOM 0 H LEU A 79 -6.712 -2.524 -9.074 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.147 -4.977 -7.670 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.992 -2.782 -6.952 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.855 -2.576 -8.463 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.000 -4.905 -7.696 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.339 -4.943 -5.273 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.624 -5.156 -5.696 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.202 -3.588 -5.086 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.832 -3.555 -6.769 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.742 -2.154 -6.645 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.161 -2.816 -8.243 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.571 -6.428 -9.147 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.322 -7.337 -10.012 1.00 10.00 C ATOM 1209 C HIS A 80 -10.694 -6.785 -10.421 1.00 10.00 C ATOM 1210 O HIS A 80 -11.394 -6.189 -9.603 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.455 -8.698 -9.322 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.537 -9.871 -10.260 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.673 -10.556 -10.613 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.481 -10.482 -10.880 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.312 -11.539 -11.451 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -8.985 -11.531 -11.653 1.00 10.00 N ATOM 0 H HIS A 80 -8.260 -6.861 -8.278 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.762 -7.448 -10.941 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.602 -8.839 -8.659 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.347 -8.687 -8.696 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.442 -10.203 -10.788 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -10.996 -12.242 -11.902 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.452 -12.163 -12.250 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.121 -7.012 -11.675 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.432 -6.595 -12.142 1.00 10.00 C ATOM 1226 C PRO A 81 -13.587 -7.397 -11.525 1.00 10.00 C ATOM 1227 O PRO A 81 -14.740 -7.059 -11.766 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.389 -6.702 -13.666 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.325 -7.767 -13.922 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.351 -7.597 -12.763 1.00 10.00 C ATOM 0 HA PRO A 81 -12.639 -5.573 -11.824 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.356 -6.995 -14.075 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.123 -5.751 -14.127 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.757 -8.768 -13.938 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -10.833 -7.617 -14.883 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -9.925 -8.556 -12.468 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.519 -6.951 -13.044 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.290 -8.441 -10.741 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.287 -9.196 -9.980 1.00 10.00 C ATOM 1240 C ASP A 82 -14.658 -8.469 -8.680 1.00 10.00 C ATOM 1241 O ASP A 82 -15.754 -8.648 -8.157 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.734 -10.597 -9.686 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.781 -11.536 -9.103 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.814 -11.725 -9.778 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.481 -12.108 -8.034 1.00 10.00 O ATOM 0 H ASP A 82 -12.339 -8.787 -10.617 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.199 -9.283 -10.571 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.340 -11.027 -10.607 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.899 -10.514 -8.990 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.730 -7.664 -8.144 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.950 -6.924 -6.906 1.00 10.00 C ATOM 1252 C ASP A 83 -14.850 -5.705 -7.140 1.00 10.00 C ATOM 1253 O ASP A 83 -15.814 -5.486 -6.408 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.601 -6.495 -6.327 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.809 -5.666 -5.067 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.907 -4.428 -5.186 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.839 -6.298 -3.996 1.00 10.00 O ATOM 0 H ASP A 83 -12.811 -7.512 -8.559 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.460 -7.574 -6.194 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.999 -7.374 -6.097 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.048 -5.915 -7.066 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.481 -4.902 -8.142 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.144 -3.643 -8.463 1.00 10.00 C ATOM 1264 C ARG A 84 -16.574 -3.842 -8.977 1.00 10.00 C ATOM 1265 O ARG A 84 -16.870 -4.950 -9.474 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.309 -2.870 -9.493 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.334 -3.569 -10.860 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.360 -2.934 -11.859 1.00 10.00 C ATOM 1269 NE ARG A 84 -11.953 -3.031 -11.422 1.00 10.00 N ATOM 1270 CZ ARG A 84 -10.952 -2.321 -11.975 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.207 -1.507 -13.006 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -9.701 -2.418 -11.520 1.00 10.00 N ATOM 0 H ARG A 84 -13.699 -5.116 -8.761 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.221 -3.069 -7.540 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.696 -1.856 -9.592 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.280 -2.786 -9.143 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.083 -4.622 -10.731 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.344 -3.530 -11.267 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.470 -3.422 -12.828 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.621 -1.885 -11.999 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.727 -3.670 -10.660 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.157 -1.427 -13.370 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.452 -0.967 -13.428 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.489 -3.039 -10.739 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -8.957 -1.871 -11.953 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.941 7.426 2.803 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.312 10.151 4.391 1.00 10.00 C HETATM 1289 CHB HEM A 201 4.995 7.902 0.055 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.468 4.660 1.231 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.918 6.829 5.620 1.00 10.00 C HETATM 1292 NA HEM A 201 4.389 8.773 2.310 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.747 9.826 3.093 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.678 10.625 2.331 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.936 9.962 1.149 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.088 8.792 1.129 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.899 10.379 0.058 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.199 11.973 2.773 1.00 10.00 C HETATM 1299 CBA HEM A 201 5.075 13.002 2.992 1.00 10.00 C HETATM 1300 CGA HEM A 201 5.305 13.863 4.229 1.00 10.00 C HETATM 1301 O1A HEM A 201 5.101 15.089 4.110 1.00 10.00 O HETATM 1302 O2A HEM A 201 5.668 13.277 5.273 1.00 10.00 O HETATM 1303 NB HEM A 201 3.186 6.462 0.992 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.081 6.849 0.016 1.00 10.00 C HETATM 1305 C2B HEM A 201 3.910 5.966 -1.114 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.914 5.092 -0.767 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.468 5.371 0.571 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.690 5.981 -2.403 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.299 4.068 -1.689 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.267 4.386 -2.489 1.00 10.00 C HETATM 1311 NC HEM A 201 1.464 6.008 3.326 1.00 10.00 N HETATM 1312 C1C HEM A 201 1.028 4.979 2.515 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.021 4.276 3.222 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.136 4.889 4.440 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.788 5.988 4.518 1.00 10.00 C HETATM 1316 CMC HEM A 201 -0.876 3.135 2.731 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.177 4.543 5.478 1.00 10.00 C HETATM 1318 CBC HEM A 201 -2.129 5.443 5.809 1.00 10.00 C HETATM 1319 ND HEM A 201 2.608 8.380 4.660 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.780 7.924 5.651 1.00 10.00 C HETATM 1321 C2D HEM A 201 2.034 8.724 6.824 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.985 9.662 6.488 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.339 9.440 5.100 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.527 8.447 8.222 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.700 10.555 7.482 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.855 11.672 8.091 1.00 10.00 C HETATM 1327 CGD HEM A 201 3.135 11.833 9.583 1.00 10.00 C HETATM 1328 O1D HEM A 201 3.731 12.868 9.949 1.00 10.00 O HETATM 1329 O2D HEM A 201 2.754 10.907 10.331 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.268 9.494 -0.460 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 7.738 10.917 0.499 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 6.386 11.027 -0.652 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.016 6.998 -2.619 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.058 5.622 -3.215 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.561 5.333 -2.309 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.160 2.505 3.574 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.313 2.543 2.009 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.773 3.531 2.255 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 0.571 7.926 8.166 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.396 9.389 8.755 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 2.248 7.826 8.754 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 0.836 3.632 -3.148 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 0.861 5.397 -2.479 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.880 5.192 6.558 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -2.146 6.420 5.327 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 4.123 12.480 3.088 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 4.999 13.645 2.115 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 6.893 12.353 2.023 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.763 11.854 3.698 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.798 11.454 7.939 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 3.064 12.610 7.577 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.561 11.004 6.987 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 4.085 9.933 8.290 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.760 11.008 4.872 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.662 8.036 -0.784 1.00 10.00 H new HETATM 0 HHC HEM A 201 1.012 3.822 0.724 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.320 6.622 6.496 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.698 3.054 -1.706 1.00 10.00 H new HETATM 0 HAC HEM A 201 -1.160 3.566 5.961 1.00 10.00 H new