USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=16 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 17 ASN : amide:sc= -0.0713 K(o=-0.071,f=-2.2!) USER MOD Set 1.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 170:sc= 0.0302 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.579 USER MOD Single : A 13 GLN : amide:sc= -0.593 K(o=-0.59,f=-2.2!) USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= 1.04 (180deg=0.348) USER MOD Single : A 15 HIS : no HD1:sc= -0.25 K(o=-0.25,f=-1) USER MOD Single : A 16 ASN : amide:sc= 0.754 K(o=0.75,f=-0.18) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 16:sc= 0.725 USER MOD Single : A 21 THR OG1 : rot 39:sc= 0.124 USER MOD Single : A 26 HIS : no HD1:sc= -0.215 K(o=-0.21,f=-1.1) 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 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -82:sc= 1.24 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.825 K(o=-0.83,f=-3.1!) USER MOD Single : A 55 THR OG1 : rot 22:sc= 1.44 USER MOD Single : A 57 ASN : amide:sc=-0.00656 K(o=-0.0066,f=-1.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0641 USER MOD Single : A 71 SER OG : rot -3:sc= 0.587 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= -0.878 K(o=-0.88,f=-4.9!) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.719 (180deg=-0.719) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.379 (180deg=-1.03) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -1.57 (180deg=-1.57) USER MOD Single : A 201 HEM CMD :methyl 150:sc= -1.91! (180deg=-1.91!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.157 -9.377 -19.171 1.00 10.00 N ATOM 2 CA ALA A 3 0.581 -8.023 -19.079 1.00 10.00 C ATOM 3 C ALA A 3 0.293 -7.776 -17.605 1.00 10.00 C ATOM 4 O ALA A 3 0.626 -8.660 -16.815 1.00 10.00 O ATOM 5 CB ALA A 3 -0.676 -7.894 -19.947 1.00 10.00 C ATOM 0 HA ALA A 3 1.273 -7.271 -19.459 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -1.078 -6.885 -19.858 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -0.421 -8.093 -20.988 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -1.424 -8.613 -19.613 1.00 10.00 H new ATOM 13 N VAL A 4 -0.286 -6.629 -17.242 1.00 10.00 N ATOM 14 CA VAL A 4 -0.732 -6.402 -15.876 1.00 10.00 C ATOM 15 C VAL A 4 -1.681 -7.528 -15.470 1.00 10.00 C ATOM 16 O VAL A 4 -2.517 -7.958 -16.265 1.00 10.00 O ATOM 17 CB VAL A 4 -1.379 -5.013 -15.743 1.00 10.00 C ATOM 18 CG1 VAL A 4 -2.716 -4.896 -16.490 1.00 10.00 C ATOM 19 CG2 VAL A 4 -1.585 -4.630 -14.273 1.00 10.00 C ATOM 0 H VAL A 4 -0.454 -5.849 -17.877 1.00 10.00 H new ATOM 0 HA VAL A 4 0.120 -6.413 -15.196 1.00 10.00 H new ATOM 0 HB VAL A 4 -0.677 -4.320 -16.207 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -3.121 -3.893 -16.357 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -2.557 -5.085 -17.552 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -3.420 -5.627 -16.092 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -2.044 -3.643 -14.215 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -2.236 -5.362 -13.794 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -0.622 -4.613 -13.763 1.00 10.00 H new ATOM 29 N LYS A 5 -1.522 -8.017 -14.244 1.00 10.00 N ATOM 30 CA LYS A 5 -2.373 -9.033 -13.661 1.00 10.00 C ATOM 31 C LYS A 5 -2.998 -8.395 -12.430 1.00 10.00 C ATOM 32 O LYS A 5 -2.339 -8.249 -11.405 1.00 10.00 O ATOM 33 CB LYS A 5 -1.543 -10.277 -13.321 1.00 10.00 C ATOM 34 CG LYS A 5 -2.430 -11.385 -12.734 1.00 10.00 C ATOM 35 CD LYS A 5 -1.568 -12.456 -12.057 1.00 10.00 C ATOM 36 CE LYS A 5 -2.455 -13.398 -11.229 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.659 -14.270 -10.341 1.00 10.00 N ATOM 0 H LYS A 5 -0.779 -7.706 -13.619 1.00 10.00 H new ATOM 0 HA LYS A 5 -3.153 -9.370 -14.344 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.044 -10.642 -14.219 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.762 -10.014 -12.607 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -3.126 -10.958 -12.011 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.029 -11.837 -13.524 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -1.022 -13.025 -12.810 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.825 -11.984 -11.414 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.150 -12.809 -10.631 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -3.055 -14.014 -11.899 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.296 -14.889 -9.801 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.014 -14.851 -10.913 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.106 -13.684 -9.683 1.00 10.00 H new ATOM 51 N TYR A 6 -4.260 -7.992 -12.551 1.00 10.00 N ATOM 52 CA TYR A 6 -5.013 -7.454 -11.434 1.00 10.00 C ATOM 53 C TYR A 6 -5.074 -8.478 -10.294 1.00 10.00 C ATOM 54 O TYR A 6 -4.946 -9.678 -10.541 1.00 10.00 O ATOM 55 CB TYR A 6 -6.421 -7.072 -11.896 1.00 10.00 C ATOM 56 CG TYR A 6 -6.504 -6.218 -13.145 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.565 -6.819 -14.417 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.564 -4.819 -13.037 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.550 -6.021 -15.574 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.567 -4.020 -14.193 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.520 -4.621 -15.460 1.00 10.00 C ATOM 62 OH TYR A 6 -6.461 -3.841 -16.575 1.00 10.00 O ATOM 0 H TYR A 6 -4.783 -8.031 -13.426 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.513 -6.560 -11.062 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.986 -7.988 -12.069 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.916 -6.541 -11.083 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.623 -7.894 -14.504 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.608 -4.356 -12.062 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.562 -6.484 -16.550 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.605 -2.944 -14.106 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.449 -2.897 -16.313 1.00 10.00 H new ATOM 72 N TYR A 7 -5.281 -8.015 -9.057 1.00 10.00 N ATOM 73 CA TYR A 7 -5.332 -8.874 -7.880 1.00 10.00 C ATOM 74 C TYR A 7 -6.655 -8.652 -7.149 1.00 10.00 C ATOM 75 O TYR A 7 -7.160 -7.528 -7.101 1.00 10.00 O ATOM 76 CB TYR A 7 -4.130 -8.595 -6.974 1.00 10.00 C ATOM 77 CG TYR A 7 -2.793 -8.576 -7.686 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.120 -9.775 -7.983 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.227 -7.346 -8.064 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.885 -9.740 -8.657 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.008 -7.312 -8.754 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.346 -8.507 -9.072 1.00 10.00 C ATOM 83 OH TYR A 7 0.821 -8.468 -9.776 1.00 10.00 O ATOM 0 H TYR A 7 -5.418 -7.026 -8.848 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.280 -9.921 -8.180 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.278 -7.634 -6.482 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.099 -9.352 -6.191 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.551 -10.722 -7.694 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.734 -6.424 -7.822 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.351 -10.658 -8.856 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.577 -6.364 -9.041 1.00 10.00 H new ATOM 0 HH TYR A 7 0.967 -7.561 -10.117 1.00 10.00 H new ATOM 93 N THR A 8 -7.245 -9.737 -6.642 1.00 10.00 N ATOM 94 CA THR A 8 -8.510 -9.707 -5.920 1.00 10.00 C ATOM 95 C THR A 8 -8.271 -9.196 -4.503 1.00 10.00 C ATOM 96 O THR A 8 -7.169 -9.357 -3.975 1.00 10.00 O ATOM 97 CB THR A 8 -9.133 -11.113 -5.884 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.386 -11.970 -5.033 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.227 -11.731 -7.283 1.00 10.00 C ATOM 0 H THR A 8 -6.848 -10.673 -6.725 1.00 10.00 H new ATOM 0 HA THR A 8 -9.202 -9.037 -6.430 1.00 10.00 H new ATOM 0 HB THR A 8 -10.144 -11.005 -5.492 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.798 -12.859 -5.021 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.672 -12.723 -7.213 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.847 -11.099 -7.919 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.229 -11.811 -7.713 1.00 10.00 H new ATOM 107 N LEU A 9 -9.296 -8.623 -3.860 1.00 10.00 N ATOM 108 CA LEU A 9 -9.177 -8.196 -2.474 1.00 10.00 C ATOM 109 C LEU A 9 -8.692 -9.358 -1.611 1.00 10.00 C ATOM 110 O LEU A 9 -7.874 -9.150 -0.728 1.00 10.00 O ATOM 111 CB LEU A 9 -10.509 -7.650 -1.941 1.00 10.00 C ATOM 112 CG LEU A 9 -10.369 -6.271 -1.262 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.708 -5.812 -0.670 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.341 -6.225 -0.121 1.00 10.00 C ATOM 0 H LEU A 9 -10.209 -8.448 -4.280 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.447 -7.388 -2.428 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.219 -7.573 -2.765 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.926 -8.360 -1.226 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.027 -5.615 -2.062 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.582 -4.838 -0.197 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.450 -5.737 -1.465 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.044 -6.535 0.073 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.308 -5.220 0.299 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.628 -6.933 0.656 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.357 -6.489 -0.507 1.00 10.00 H new ATOM 126 N GLU A 10 -9.177 -10.573 -1.883 1.00 10.00 N ATOM 127 CA GLU A 10 -8.759 -11.786 -1.188 1.00 10.00 C ATOM 128 C GLU A 10 -7.249 -11.999 -1.312 1.00 10.00 C ATOM 129 O GLU A 10 -6.527 -12.088 -0.316 1.00 10.00 O ATOM 130 CB GLU A 10 -9.520 -12.991 -1.753 1.00 10.00 C ATOM 131 CG GLU A 10 -9.375 -14.241 -0.872 1.00 10.00 C ATOM 132 CD GLU A 10 -10.028 -14.062 0.492 1.00 10.00 C ATOM 133 OE1 GLU A 10 -11.275 -14.126 0.534 1.00 10.00 O ATOM 134 OE2 GLU A 10 -9.264 -13.859 1.459 1.00 10.00 O ATOM 0 H GLU A 10 -9.880 -10.740 -2.603 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.992 -11.679 -0.129 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.576 -12.738 -1.849 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.153 -13.212 -2.755 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.825 -15.095 -1.379 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -8.317 -14.469 -0.740 1.00 10.00 H new ATOM 141 N GLU A 11 -6.755 -12.101 -2.551 1.00 10.00 N ATOM 142 CA GLU A 11 -5.326 -12.300 -2.760 1.00 10.00 C ATOM 143 C GLU A 11 -4.539 -11.192 -2.065 1.00 10.00 C ATOM 144 O GLU A 11 -3.596 -11.466 -1.329 1.00 10.00 O ATOM 145 CB GLU A 11 -4.943 -12.391 -4.247 1.00 10.00 C ATOM 146 CG GLU A 11 -4.297 -13.742 -4.593 1.00 10.00 C ATOM 147 CD GLU A 11 -5.347 -14.807 -4.862 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.075 -14.636 -5.861 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.399 -15.759 -4.051 1.00 10.00 O ATOM 0 H GLU A 11 -7.313 -12.050 -3.403 1.00 10.00 H new ATOM 0 HA GLU A 11 -5.068 -13.263 -2.319 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.833 -12.247 -4.860 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.252 -11.585 -4.493 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.659 -13.628 -5.470 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.655 -14.061 -3.772 1.00 10.00 H new ATOM 156 N ILE A 12 -4.941 -9.942 -2.286 1.00 10.00 N ATOM 157 CA ILE A 12 -4.270 -8.799 -1.694 1.00 10.00 C ATOM 158 C ILE A 12 -4.269 -8.938 -0.161 1.00 10.00 C ATOM 159 O ILE A 12 -3.221 -8.817 0.469 1.00 10.00 O ATOM 160 CB ILE A 12 -4.921 -7.497 -2.205 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.794 -7.367 -3.736 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.256 -6.281 -1.549 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.846 -6.412 -4.312 1.00 10.00 C ATOM 0 H ILE A 12 -5.736 -9.700 -2.877 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.224 -8.759 -1.998 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.978 -7.535 -1.941 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.797 -7.006 -3.989 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.904 -8.349 -4.195 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.724 -5.368 -1.917 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.377 -6.340 -0.467 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.194 -6.270 -1.796 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.725 -6.346 -5.393 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.843 -6.787 -4.081 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.719 -5.423 -3.872 1.00 10.00 H new ATOM 175 N GLN A 13 -5.422 -9.252 0.438 1.00 10.00 N ATOM 176 CA GLN A 13 -5.601 -9.509 1.858 1.00 10.00 C ATOM 177 C GLN A 13 -4.614 -10.554 2.361 1.00 10.00 C ATOM 178 O GLN A 13 -3.993 -10.341 3.399 1.00 10.00 O ATOM 179 CB GLN A 13 -7.051 -9.921 2.151 1.00 10.00 C ATOM 180 CG GLN A 13 -7.976 -8.714 2.396 1.00 10.00 C ATOM 181 CD GLN A 13 -8.253 -8.430 3.876 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.743 -9.096 4.772 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.105 -7.445 4.154 1.00 10.00 N ATOM 0 H GLN A 13 -6.294 -9.336 -0.085 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.395 -8.585 2.399 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.435 -10.503 1.313 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -7.070 -10.571 3.026 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.528 -7.829 1.945 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.924 -8.887 1.886 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.520 -6.901 3.398 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.342 -7.235 5.123 1.00 10.00 H new ATOM 192 N LYS A 14 -4.423 -11.664 1.640 1.00 10.00 N ATOM 193 CA LYS A 14 -3.450 -12.671 2.050 1.00 10.00 C ATOM 194 C LYS A 14 -2.048 -12.063 2.268 1.00 10.00 C ATOM 195 O LYS A 14 -1.293 -12.550 3.107 1.00 10.00 O ATOM 196 CB LYS A 14 -3.434 -13.869 1.079 1.00 10.00 C ATOM 197 CG LYS A 14 -4.700 -14.744 1.193 1.00 10.00 C ATOM 198 CD LYS A 14 -4.454 -16.225 0.826 1.00 10.00 C ATOM 199 CE LYS A 14 -5.099 -16.668 -0.495 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.523 -15.969 -1.657 1.00 10.00 N ATOM 0 H LYS A 14 -4.925 -11.883 0.780 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.767 -13.058 3.019 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -3.342 -13.502 0.057 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.555 -14.481 1.278 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.081 -14.688 2.213 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -5.473 -14.339 0.541 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.379 -16.398 0.767 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.835 -16.854 1.631 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -4.969 -17.743 -0.619 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -6.172 -16.480 -0.455 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.210 -15.969 -2.438 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.297 -14.988 -1.395 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -3.655 -16.456 -1.960 1.00 10.00 H new ATOM 214 N HIS A 15 -1.706 -10.978 1.568 1.00 10.00 N ATOM 215 CA HIS A 15 -0.424 -10.290 1.698 1.00 10.00 C ATOM 216 C HIS A 15 -0.525 -9.171 2.746 1.00 10.00 C ATOM 217 O HIS A 15 -0.454 -7.982 2.418 1.00 10.00 O ATOM 218 CB HIS A 15 0.025 -9.764 0.327 1.00 10.00 C ATOM 219 CG HIS A 15 0.434 -10.827 -0.663 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.613 -10.857 -1.373 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.322 -11.889 -1.085 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.574 -11.929 -2.181 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.416 -12.593 -2.039 1.00 10.00 N ATOM 0 H HIS A 15 -2.326 -10.547 0.883 1.00 10.00 H new ATOM 0 HA HIS A 15 0.335 -10.990 2.048 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.788 -9.180 -0.105 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.864 -9.083 0.473 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.315 -12.138 -0.740 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.367 -12.218 -2.854 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.132 -13.441 -2.529 1.00 10.00 H new ATOM 231 N ASN A 16 -0.662 -9.574 4.017 1.00 10.00 N ATOM 232 CA ASN A 16 -0.783 -8.678 5.171 1.00 10.00 C ATOM 233 C ASN A 16 0.328 -8.899 6.200 1.00 10.00 C ATOM 234 O ASN A 16 0.071 -8.766 7.393 1.00 10.00 O ATOM 235 CB ASN A 16 -2.160 -8.842 5.850 1.00 10.00 C ATOM 236 CG ASN A 16 -2.369 -10.225 6.468 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.254 -10.419 7.675 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.681 -11.210 5.634 1.00 10.00 N ATOM 0 H ASN A 16 -0.692 -10.560 4.276 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.685 -7.662 4.788 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.267 -8.085 6.627 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.944 -8.658 5.115 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -2.831 -12.153 5.992 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.771 -11.023 4.635 1.00 10.00 H new ATOM 245 N ASN A 17 1.564 -9.221 5.802 1.00 10.00 N ATOM 246 CA ASN A 17 2.614 -9.571 6.769 1.00 10.00 C ATOM 247 C ASN A 17 3.893 -8.794 6.469 1.00 10.00 C ATOM 248 O ASN A 17 4.040 -8.269 5.370 1.00 10.00 O ATOM 249 CB ASN A 17 2.845 -11.093 6.760 1.00 10.00 C ATOM 250 CG ASN A 17 3.263 -11.655 8.120 1.00 10.00 C ATOM 251 OD1 ASN A 17 3.468 -10.922 9.082 1.00 10.00 O ATOM 252 ND2 ASN A 17 3.397 -12.978 8.216 1.00 10.00 N ATOM 0 H ASN A 17 1.861 -9.247 4.827 1.00 10.00 H new ATOM 0 HA ASN A 17 2.295 -9.289 7.772 1.00 10.00 H new ATOM 0 HB2 ASN A 17 1.930 -11.589 6.436 1.00 10.00 H new ATOM 0 HB3 ASN A 17 3.614 -11.331 6.025 1.00 10.00 H new ATOM 0 HD21 ASN A 17 3.675 -13.399 9.102 1.00 10.00 H new ATOM 0 HD22 ASN A 17 3.221 -13.569 7.403 1.00 10.00 H new ATOM 259 N SER A 18 4.828 -8.714 7.423 1.00 10.00 N ATOM 260 CA SER A 18 6.107 -8.034 7.200 1.00 10.00 C ATOM 261 C SER A 18 6.792 -8.547 5.925 1.00 10.00 C ATOM 262 O SER A 18 7.379 -7.781 5.163 1.00 10.00 O ATOM 263 CB SER A 18 7.007 -8.213 8.427 1.00 10.00 C ATOM 264 OG SER A 18 6.395 -7.603 9.547 1.00 10.00 O ATOM 0 H SER A 18 4.722 -9.112 8.356 1.00 10.00 H new ATOM 0 HA SER A 18 5.920 -6.970 7.057 1.00 10.00 H new ATOM 0 HB2 SER A 18 7.172 -9.273 8.620 1.00 10.00 H new ATOM 0 HB3 SER A 18 7.984 -7.767 8.244 1.00 10.00 H new ATOM 0 HG SER A 18 6.967 -7.717 10.335 1.00 10.00 H new ATOM 270 N LYS A 19 6.679 -9.858 5.693 1.00 10.00 N ATOM 271 CA LYS A 19 7.140 -10.543 4.493 1.00 10.00 C ATOM 272 C LYS A 19 6.534 -9.979 3.203 1.00 10.00 C ATOM 273 O LYS A 19 7.202 -9.978 2.172 1.00 10.00 O ATOM 274 CB LYS A 19 6.791 -12.032 4.629 1.00 10.00 C ATOM 275 CG LYS A 19 7.827 -12.770 5.488 1.00 10.00 C ATOM 276 CD LYS A 19 7.201 -13.871 6.358 1.00 10.00 C ATOM 277 CE LYS A 19 6.869 -13.326 7.756 1.00 10.00 C ATOM 278 NZ LYS A 19 6.347 -14.373 8.659 1.00 10.00 N ATOM 0 H LYS A 19 6.246 -10.491 6.365 1.00 10.00 H new ATOM 0 HA LYS A 19 8.216 -10.392 4.412 1.00 10.00 H new ATOM 0 HB2 LYS A 19 5.803 -12.137 5.077 1.00 10.00 H new ATOM 0 HB3 LYS A 19 6.743 -12.489 3.640 1.00 10.00 H new ATOM 0 HG2 LYS A 19 8.583 -13.212 4.839 1.00 10.00 H new ATOM 0 HG3 LYS A 19 8.338 -12.052 6.130 1.00 10.00 H new ATOM 0 HD2 LYS A 19 6.295 -14.247 5.883 1.00 10.00 H new ATOM 0 HD3 LYS A 19 7.889 -14.712 6.443 1.00 10.00 H new ATOM 0 HE2 LYS A 19 7.765 -12.886 8.194 1.00 10.00 H new ATOM 0 HE3 LYS A 19 6.133 -12.527 7.666 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 6.138 -13.957 9.589 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 5.477 -14.776 8.257 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 7.058 -15.124 8.768 1.00 10.00 H new ATOM 292 N SER A 20 5.264 -9.570 3.219 1.00 10.00 N ATOM 293 CA SER A 20 4.572 -9.032 2.065 1.00 10.00 C ATOM 294 C SER A 20 3.402 -8.178 2.547 1.00 10.00 C ATOM 295 O SER A 20 2.385 -8.710 2.993 1.00 10.00 O ATOM 296 CB SER A 20 4.080 -10.159 1.168 1.00 10.00 C ATOM 297 OG SER A 20 5.160 -10.793 0.509 1.00 10.00 O ATOM 0 H SER A 20 4.683 -9.608 4.056 1.00 10.00 H new ATOM 0 HA SER A 20 5.255 -8.415 1.481 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.534 -10.890 1.764 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.382 -9.763 0.431 1.00 10.00 H new ATOM 0 HG SER A 20 6.001 -10.547 0.948 1.00 10.00 H new ATOM 303 N THR A 21 3.582 -6.862 2.462 1.00 10.00 N ATOM 304 CA THR A 21 2.592 -5.833 2.706 1.00 10.00 C ATOM 305 C THR A 21 2.101 -5.299 1.364 1.00 10.00 C ATOM 306 O THR A 21 2.774 -4.477 0.734 1.00 10.00 O ATOM 307 CB THR A 21 3.235 -4.749 3.577 1.00 10.00 C ATOM 308 OG1 THR A 21 3.308 -5.260 4.893 1.00 10.00 O ATOM 309 CG2 THR A 21 2.493 -3.406 3.527 1.00 10.00 C ATOM 0 H THR A 21 4.486 -6.467 2.203 1.00 10.00 H new ATOM 0 HA THR A 21 1.723 -6.219 3.239 1.00 10.00 H new ATOM 0 HB THR A 21 4.229 -4.522 3.192 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.545 -6.210 4.862 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.002 -2.685 4.166 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.479 -3.036 2.502 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.470 -3.542 3.877 1.00 10.00 H new ATOM 317 N TRP A 22 0.935 -5.788 0.934 1.00 10.00 N ATOM 318 CA TRP A 22 0.185 -5.239 -0.186 1.00 10.00 C ATOM 319 C TRP A 22 -0.968 -4.428 0.383 1.00 10.00 C ATOM 320 O TRP A 22 -1.087 -4.341 1.598 1.00 10.00 O ATOM 321 CB TRP A 22 -0.338 -6.382 -1.046 1.00 10.00 C ATOM 322 CG TRP A 22 0.688 -7.165 -1.796 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.020 -7.159 -1.581 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.490 -7.988 -2.978 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.653 -7.900 -2.543 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.762 -8.421 -3.455 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.641 -8.366 -3.724 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.905 -9.173 -4.628 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.517 -9.172 -4.866 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.754 -9.547 -5.341 1.00 10.00 C ATOM 0 H TRP A 22 0.482 -6.593 1.367 1.00 10.00 H new ATOM 0 HA TRP A 22 0.814 -4.602 -0.807 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.891 -7.068 -0.405 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -1.049 -5.973 -1.764 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.514 -6.645 -0.770 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.662 -8.048 -2.580 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.620 -8.031 -3.413 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.885 -9.461 -4.979 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.403 -9.507 -5.384 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.844 -10.121 -6.251 1.00 10.00 H new ATOM 341 N LEU A 23 -1.801 -3.820 -0.466 1.00 10.00 N ATOM 342 CA LEU A 23 -2.912 -2.958 -0.070 1.00 10.00 C ATOM 343 C LEU A 23 -3.494 -2.288 -1.308 1.00 10.00 C ATOM 344 O LEU A 23 -2.898 -2.403 -2.379 1.00 10.00 O ATOM 345 CB LEU A 23 -2.500 -1.916 0.981 1.00 10.00 C ATOM 346 CG LEU A 23 -1.130 -1.268 0.717 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.211 -0.124 -0.283 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.576 -0.743 2.036 1.00 10.00 C ATOM 0 H LEU A 23 -1.716 -3.919 -1.478 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.673 -3.580 0.401 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.259 -1.134 1.019 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.482 -2.392 1.962 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.477 -2.028 0.289 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.218 0.299 -0.434 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.594 -0.497 -1.233 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.879 0.647 0.100 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.396 -0.280 1.864 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.262 -0.004 2.450 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.466 -1.569 2.739 1.00 10.00 H new ATOM 360 N ILE A 24 -4.640 -1.611 -1.158 1.00 10.00 N ATOM 361 CA ILE A 24 -5.377 -0.972 -2.249 1.00 10.00 C ATOM 362 C ILE A 24 -5.510 0.526 -1.962 1.00 10.00 C ATOM 363 O ILE A 24 -6.106 0.927 -0.954 1.00 10.00 O ATOM 364 CB ILE A 24 -6.739 -1.655 -2.453 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.523 -3.135 -2.807 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.561 -0.994 -3.571 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.738 -3.996 -2.442 1.00 10.00 C ATOM 0 H ILE A 24 -5.089 -1.491 -0.250 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.829 -1.086 -3.184 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.295 -1.555 -1.521 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.321 -3.227 -3.874 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.643 -3.509 -2.283 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.514 -1.512 -3.677 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.742 0.051 -3.320 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.011 -1.052 -4.510 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.542 -5.034 -2.709 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.925 -3.926 -1.370 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.613 -3.640 -2.986 1.00 10.00 H new ATOM 379 N LEU A 25 -4.909 1.337 -2.842 1.00 10.00 N ATOM 380 CA LEU A 25 -4.864 2.797 -2.791 1.00 10.00 C ATOM 381 C LEU A 25 -5.464 3.307 -4.097 1.00 10.00 C ATOM 382 O LEU A 25 -4.775 3.407 -5.106 1.00 10.00 O ATOM 383 CB LEU A 25 -3.407 3.272 -2.630 1.00 10.00 C ATOM 384 CG LEU A 25 -2.837 3.504 -1.233 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.541 2.603 -0.252 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.308 3.303 -1.179 1.00 10.00 C ATOM 0 H LEU A 25 -4.414 0.967 -3.653 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.427 3.182 -1.941 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.769 2.539 -3.124 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.306 4.206 -3.182 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.015 4.545 -0.962 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.136 2.766 0.747 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.608 2.827 -0.253 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.389 1.563 -0.540 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.953 3.480 -0.164 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.064 2.283 -1.476 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.825 4.004 -1.859 1.00 10.00 H new ATOM 398 N HIS A 26 -6.758 3.617 -4.086 1.00 10.00 N ATOM 399 CA HIS A 26 -7.498 4.119 -5.234 1.00 10.00 C ATOM 400 C HIS A 26 -7.526 3.064 -6.341 1.00 10.00 C ATOM 401 O HIS A 26 -7.146 3.342 -7.477 1.00 10.00 O ATOM 402 CB HIS A 26 -6.950 5.468 -5.733 1.00 10.00 C ATOM 403 CG HIS A 26 -6.778 6.515 -4.663 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.722 7.427 -4.246 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.632 6.753 -3.953 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.151 8.195 -3.300 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.875 7.830 -3.095 1.00 10.00 N ATOM 0 H HIS A 26 -7.336 3.522 -3.251 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.524 4.311 -4.920 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -5.986 5.298 -6.213 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.623 5.857 -6.497 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.705 6.206 -4.040 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.651 8.996 -2.777 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.215 8.254 -2.443 1.00 10.00 H new ATOM 415 N TYR A 27 -8.008 1.862 -6.005 1.00 10.00 N ATOM 416 CA TYR A 27 -8.218 0.756 -6.938 1.00 10.00 C ATOM 417 C TYR A 27 -6.901 0.244 -7.542 1.00 10.00 C ATOM 418 O TYR A 27 -6.916 -0.435 -8.570 1.00 10.00 O ATOM 419 CB TYR A 27 -9.236 1.150 -8.026 1.00 10.00 C ATOM 420 CG TYR A 27 -10.561 1.684 -7.505 1.00 10.00 C ATOM 421 CD1 TYR A 27 -10.710 3.046 -7.179 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.660 0.818 -7.364 1.00 10.00 C ATOM 423 CE1 TYR A 27 -11.917 3.515 -6.632 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.871 1.288 -6.830 1.00 10.00 C ATOM 425 CZ TYR A 27 -12.997 2.633 -6.454 1.00 10.00 C ATOM 426 OH TYR A 27 -14.190 3.093 -5.983 1.00 10.00 O ATOM 0 H TYR A 27 -8.270 1.628 -5.047 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.635 -0.077 -6.372 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.784 1.906 -8.668 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.433 0.278 -8.650 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -9.894 3.733 -7.350 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.572 -0.215 -7.668 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.015 4.553 -6.349 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.706 0.613 -6.709 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.826 2.350 -5.922 1.00 10.00 H new ATOM 436 N LYS A 28 -5.766 0.560 -6.908 1.00 10.00 N ATOM 437 CA LYS A 28 -4.427 0.251 -7.385 1.00 10.00 C ATOM 438 C LYS A 28 -3.683 -0.483 -6.277 1.00 10.00 C ATOM 439 O LYS A 28 -3.779 -0.077 -5.117 1.00 10.00 O ATOM 440 CB LYS A 28 -3.714 1.539 -7.811 1.00 10.00 C ATOM 441 CG LYS A 28 -4.408 2.155 -9.026 1.00 10.00 C ATOM 442 CD LYS A 28 -3.900 3.568 -9.330 1.00 10.00 C ATOM 443 CE LYS A 28 -5.037 4.379 -9.976 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.574 5.196 -11.111 1.00 10.00 N ATOM 0 H LYS A 28 -5.762 1.056 -6.017 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.464 -0.394 -8.263 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.712 2.251 -6.986 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.672 1.324 -8.049 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.247 1.518 -9.896 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.483 2.188 -8.850 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.565 4.053 -8.413 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.041 3.524 -10.000 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.816 3.698 -10.317 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.488 5.028 -9.225 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.377 5.722 -11.510 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.849 5.866 -10.783 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.168 4.577 -11.842 1.00 10.00 H new ATOM 458 N VAL A 29 -2.996 -1.574 -6.631 1.00 10.00 N ATOM 459 CA VAL A 29 -2.257 -2.415 -5.702 1.00 10.00 C ATOM 460 C VAL A 29 -0.775 -2.039 -5.706 1.00 10.00 C ATOM 461 O VAL A 29 -0.173 -1.840 -6.767 1.00 10.00 O ATOM 462 CB VAL A 29 -2.454 -3.902 -6.035 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.002 -4.787 -4.865 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.923 -4.209 -6.323 1.00 10.00 C ATOM 0 H VAL A 29 -2.941 -1.899 -7.596 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.647 -2.247 -4.698 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.852 -4.115 -6.918 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.151 -5.835 -5.123 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.946 -4.610 -4.661 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.588 -4.545 -3.978 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -4.035 -5.268 -6.556 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.524 -3.965 -5.447 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.260 -3.614 -7.172 1.00 10.00 H new ATOM 474 N TYR A 30 -0.194 -1.955 -4.506 1.00 10.00 N ATOM 475 CA TYR A 30 1.175 -1.522 -4.276 1.00 10.00 C ATOM 476 C TYR A 30 1.870 -2.536 -3.368 1.00 10.00 C ATOM 477 O TYR A 30 1.586 -2.579 -2.173 1.00 10.00 O ATOM 478 CB TYR A 30 1.145 -0.126 -3.646 1.00 10.00 C ATOM 479 CG TYR A 30 0.470 0.912 -4.521 1.00 10.00 C ATOM 480 CD1 TYR A 30 -0.921 1.089 -4.449 1.00 10.00 C ATOM 481 CD2 TYR A 30 1.214 1.656 -5.453 1.00 10.00 C ATOM 482 CE1 TYR A 30 -1.548 2.048 -5.259 1.00 10.00 C ATOM 483 CE2 TYR A 30 0.579 2.640 -6.235 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.795 2.867 -6.103 1.00 10.00 C ATOM 485 OH TYR A 30 -1.388 3.900 -6.767 1.00 10.00 O ATOM 0 H TYR A 30 -0.684 -2.196 -3.645 1.00 10.00 H new ATOM 0 HA TYR A 30 1.733 -1.467 -5.210 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.626 -0.178 -2.689 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.166 0.193 -3.438 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.508 0.487 -3.771 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.272 1.473 -5.569 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.622 2.154 -5.229 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.155 3.222 -6.939 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.719 4.367 -7.309 1.00 10.00 H new ATOM 495 N ASP A 31 2.766 -3.351 -3.933 1.00 10.00 N ATOM 496 CA ASP A 31 3.615 -4.256 -3.171 1.00 10.00 C ATOM 497 C ASP A 31 4.778 -3.445 -2.628 1.00 10.00 C ATOM 498 O ASP A 31 5.646 -3.039 -3.400 1.00 10.00 O ATOM 499 CB ASP A 31 4.154 -5.365 -4.080 1.00 10.00 C ATOM 500 CG ASP A 31 5.179 -6.258 -3.392 1.00 10.00 C ATOM 501 OD1 ASP A 31 4.940 -6.603 -2.213 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.140 -6.657 -4.080 1.00 10.00 O ATOM 0 H ASP A 31 2.919 -3.397 -4.940 1.00 10.00 H new ATOM 0 HA ASP A 31 3.046 -4.716 -2.363 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.322 -5.978 -4.427 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.608 -4.914 -4.962 1.00 10.00 H new ATOM 507 N LEU A 32 4.775 -3.157 -1.326 1.00 10.00 N ATOM 508 CA LEU A 32 5.870 -2.450 -0.702 1.00 10.00 C ATOM 509 C LEU A 32 6.704 -3.442 0.102 1.00 10.00 C ATOM 510 O LEU A 32 7.628 -4.035 -0.445 1.00 10.00 O ATOM 511 CB LEU A 32 5.349 -1.243 0.079 1.00 10.00 C ATOM 512 CG LEU A 32 4.584 -0.276 -0.849 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.137 -0.116 -0.377 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.302 1.071 -0.888 1.00 10.00 C ATOM 0 H LEU A 32 4.019 -3.408 -0.689 1.00 10.00 H new ATOM 0 HA LEU A 32 6.545 -2.022 -1.443 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.692 -1.580 0.881 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.183 -0.720 0.548 1.00 10.00 H new ATOM 0 HG LEU A 32 4.561 -0.687 -1.858 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.611 0.569 -1.042 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.641 -1.086 -0.389 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.127 0.284 0.637 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.761 1.753 -1.544 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.343 1.490 0.117 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.315 0.932 -1.265 1.00 10.00 H new ATOM 526 N THR A 33 6.407 -3.622 1.393 1.00 10.00 N ATOM 527 CA THR A 33 7.090 -4.540 2.303 1.00 10.00 C ATOM 528 C THR A 33 8.528 -4.111 2.617 1.00 10.00 C ATOM 529 O THR A 33 8.873 -3.823 3.759 1.00 10.00 O ATOM 530 CB THR A 33 6.914 -6.006 1.862 1.00 10.00 C ATOM 531 OG1 THR A 33 6.263 -6.697 2.908 1.00 10.00 O ATOM 532 CG2 THR A 33 8.194 -6.754 1.488 1.00 10.00 C ATOM 0 H THR A 33 5.652 -3.109 1.849 1.00 10.00 H new ATOM 0 HA THR A 33 6.598 -4.480 3.274 1.00 10.00 H new ATOM 0 HB THR A 33 6.335 -5.974 0.939 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.920 -6.955 3.588 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.947 -7.774 1.195 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.683 -6.246 0.657 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.866 -6.776 2.346 1.00 10.00 H new ATOM 540 N LYS A 34 9.375 -3.991 1.602 1.00 10.00 N ATOM 541 CA LYS A 34 10.730 -3.518 1.765 1.00 10.00 C ATOM 542 C LYS A 34 10.702 -2.031 2.102 1.00 10.00 C ATOM 543 O LYS A 34 11.650 -1.513 2.680 1.00 10.00 O ATOM 544 CB LYS A 34 11.496 -3.815 0.474 1.00 10.00 C ATOM 545 CG LYS A 34 12.980 -3.469 0.619 1.00 10.00 C ATOM 546 CD LYS A 34 13.766 -4.071 -0.549 1.00 10.00 C ATOM 547 CE LYS A 34 15.266 -3.831 -0.336 1.00 10.00 C ATOM 548 NZ LYS A 34 16.085 -4.583 -1.307 1.00 10.00 N ATOM 0 H LYS A 34 9.132 -4.223 0.639 1.00 10.00 H new ATOM 0 HA LYS A 34 11.239 -4.024 2.586 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.389 -4.869 0.219 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.065 -3.243 -0.348 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.111 -2.387 0.639 1.00 10.00 H new ATOM 0 HG3 LYS A 34 13.363 -3.854 1.564 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.565 -5.140 -0.624 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.445 -3.620 -1.488 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.480 -2.766 -0.427 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.541 -4.126 0.677 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 17.093 -4.395 -1.131 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.900 -5.601 -1.203 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.841 -4.284 -2.273 1.00 10.00 H new ATOM 562 N PHE A 35 9.603 -1.354 1.751 1.00 10.00 N ATOM 563 CA PHE A 35 9.465 0.072 1.950 1.00 10.00 C ATOM 564 C PHE A 35 8.779 0.365 3.283 1.00 10.00 C ATOM 565 O PHE A 35 8.443 1.510 3.534 1.00 10.00 O ATOM 566 CB PHE A 35 8.676 0.682 0.786 1.00 10.00 C ATOM 567 CG PHE A 35 9.014 2.134 0.471 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.326 2.487 0.098 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.026 3.135 0.556 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.647 3.827 -0.181 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.346 4.475 0.271 1.00 10.00 C ATOM 572 CZ PHE A 35 9.659 4.822 -0.092 1.00 10.00 C ATOM 0 H PHE A 35 8.788 -1.791 1.321 1.00 10.00 H new ATOM 0 HA PHE A 35 10.456 0.524 1.978 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.852 0.082 -0.107 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.612 0.613 1.012 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.088 1.725 0.026 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.018 2.872 0.841 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.655 4.092 -0.464 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.583 5.237 0.331 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.908 5.852 -0.302 1.00 10.00 H new ATOM 582 N LEU A 36 8.515 -0.637 4.127 1.00 10.00 N ATOM 583 CA LEU A 36 7.826 -0.417 5.392 1.00 10.00 C ATOM 584 C LEU A 36 8.587 0.577 6.271 1.00 10.00 C ATOM 585 O LEU A 36 8.068 1.638 6.602 1.00 10.00 O ATOM 586 CB LEU A 36 7.653 -1.763 6.101 1.00 10.00 C ATOM 587 CG LEU A 36 6.621 -2.641 5.392 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.661 -4.046 6.006 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.215 -2.066 5.543 1.00 10.00 C ATOM 0 H LEU A 36 8.771 -1.609 3.952 1.00 10.00 H new ATOM 0 HA LEU A 36 6.846 0.018 5.198 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.611 -2.282 6.137 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.342 -1.595 7.132 1.00 10.00 H new ATOM 0 HG LEU A 36 6.864 -2.679 4.330 1.00 10.00 H new ATOM 0 HD11 LEU A 36 5.929 -4.682 5.508 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.657 -4.471 5.878 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.426 -3.986 7.069 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.501 -2.710 5.029 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.957 -2.009 6.600 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.182 -1.067 5.107 1.00 10.00 H new ATOM 601 N GLU A 37 9.819 0.231 6.645 1.00 10.00 N ATOM 602 CA GLU A 37 10.683 1.101 7.434 1.00 10.00 C ATOM 603 C GLU A 37 11.054 2.366 6.653 1.00 10.00 C ATOM 604 O GLU A 37 11.138 3.448 7.229 1.00 10.00 O ATOM 605 CB GLU A 37 11.930 0.323 7.884 1.00 10.00 C ATOM 606 CG GLU A 37 11.788 -0.151 9.335 1.00 10.00 C ATOM 607 CD GLU A 37 12.943 -1.064 9.726 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.078 -0.545 9.779 1.00 10.00 O ATOM 609 OE2 GLU A 37 12.675 -2.266 9.937 1.00 10.00 O ATOM 0 H GLU A 37 10.245 -0.665 6.407 1.00 10.00 H new ATOM 0 HA GLU A 37 10.143 1.426 8.323 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.083 -0.536 7.230 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.812 0.956 7.789 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.759 0.711 10.002 1.00 10.00 H new ATOM 0 HG3 GLU A 37 10.843 -0.681 9.458 1.00 10.00 H new ATOM 616 N GLU A 38 11.291 2.230 5.346 1.00 10.00 N ATOM 617 CA GLU A 38 11.702 3.339 4.498 1.00 10.00 C ATOM 618 C GLU A 38 10.608 4.404 4.445 1.00 10.00 C ATOM 619 O GLU A 38 10.893 5.596 4.524 1.00 10.00 O ATOM 620 CB GLU A 38 11.996 2.817 3.093 1.00 10.00 C ATOM 621 CG GLU A 38 13.122 1.769 3.075 1.00 10.00 C ATOM 622 CD GLU A 38 14.282 2.192 2.181 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.806 3.300 2.422 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.613 1.406 1.267 1.00 10.00 O ATOM 0 H GLU A 38 11.202 1.343 4.850 1.00 10.00 H new ATOM 0 HA GLU A 38 12.602 3.793 4.913 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.090 2.378 2.675 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.272 3.652 2.449 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.486 1.610 4.090 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.725 0.816 2.726 1.00 10.00 H new ATOM 631 N HIS A 39 9.360 3.959 4.279 1.00 10.00 N ATOM 632 CA HIS A 39 8.175 4.796 4.211 1.00 10.00 C ATOM 633 C HIS A 39 8.158 5.742 5.411 1.00 10.00 C ATOM 634 O HIS A 39 7.935 5.283 6.533 1.00 10.00 O ATOM 635 CB HIS A 39 6.916 3.922 4.208 1.00 10.00 C ATOM 636 CG HIS A 39 5.639 4.698 4.359 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.724 4.568 5.379 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.140 5.590 3.453 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.681 5.354 5.067 1.00 10.00 C ATOM 640 NE2 HIS A 39 3.890 6.008 3.908 1.00 10.00 N ATOM 0 H HIS A 39 9.147 2.966 4.185 1.00 10.00 H new ATOM 0 HA HIS A 39 8.193 5.381 3.291 1.00 10.00 H new ATOM 0 HB2 HIS A 39 6.879 3.357 3.276 1.00 10.00 H new ATOM 0 HB3 HIS A 39 6.987 3.196 5.018 1.00 10.00 H new ATOM 0 HD1 HIS A 39 4.820 3.987 6.212 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.627 5.914 2.545 1.00 10.00 H new ATOM 0 HE1 HIS A 39 2.789 5.450 5.668 1.00 10.00 H new ATOM 648 N PRO A 40 8.350 7.054 5.207 1.00 10.00 N ATOM 649 CA PRO A 40 8.368 8.012 6.295 1.00 10.00 C ATOM 650 C PRO A 40 6.932 8.307 6.741 1.00 10.00 C ATOM 651 O PRO A 40 6.439 9.425 6.642 1.00 10.00 O ATOM 652 CB PRO A 40 9.135 9.222 5.751 1.00 10.00 C ATOM 653 CG PRO A 40 9.014 9.136 4.226 1.00 10.00 C ATOM 654 CD PRO A 40 8.609 7.694 3.925 1.00 10.00 C ATOM 0 HA PRO A 40 8.865 7.656 7.197 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.713 10.154 6.126 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.179 9.197 6.063 1.00 10.00 H new ATOM 0 HG2 PRO A 40 8.269 9.838 3.852 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.959 9.386 3.743 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.722 7.666 3.292 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.401 7.174 3.386 1.00 10.00 H new ATOM 662 N GLY A 41 6.238 7.284 7.241 1.00 10.00 N ATOM 663 CA GLY A 41 4.854 7.421 7.635 1.00 10.00 C ATOM 664 C GLY A 41 4.360 6.210 8.397 1.00 10.00 C ATOM 665 O GLY A 41 3.250 5.743 8.161 1.00 10.00 O ATOM 0 H GLY A 41 6.623 6.350 7.379 1.00 10.00 H new ATOM 0 HA2 GLY A 41 4.739 8.311 8.254 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.237 7.568 6.748 1.00 10.00 H new ATOM 669 N GLY A 42 5.192 5.711 9.312 1.00 10.00 N ATOM 670 CA GLY A 42 4.873 4.553 10.121 1.00 10.00 C ATOM 671 C GLY A 42 4.947 3.270 9.293 1.00 10.00 C ATOM 672 O GLY A 42 4.203 3.083 8.329 1.00 10.00 O ATOM 0 H GLY A 42 6.111 6.108 9.508 1.00 10.00 H new ATOM 0 HA2 GLY A 42 5.566 4.489 10.960 1.00 10.00 H new ATOM 0 HA3 GLY A 42 3.873 4.662 10.541 1.00 10.00 H new ATOM 676 N GLU A 43 5.830 2.357 9.695 1.00 10.00 N ATOM 677 CA GLU A 43 5.841 1.011 9.155 1.00 10.00 C ATOM 678 C GLU A 43 4.596 0.272 9.655 1.00 10.00 C ATOM 679 O GLU A 43 3.847 -0.311 8.872 1.00 10.00 O ATOM 680 CB GLU A 43 7.180 0.346 9.505 1.00 10.00 C ATOM 681 CG GLU A 43 7.465 0.074 10.991 1.00 10.00 C ATOM 682 CD GLU A 43 7.127 -1.363 11.393 1.00 10.00 C ATOM 683 OE1 GLU A 43 6.111 -1.882 10.883 1.00 10.00 O ATOM 684 OE2 GLU A 43 7.894 -1.919 12.204 1.00 10.00 O ATOM 0 H GLU A 43 6.548 2.533 10.397 1.00 10.00 H new ATOM 0 HA GLU A 43 5.780 0.996 8.067 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.235 -0.603 8.972 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.981 0.976 9.118 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.517 0.269 11.199 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.886 0.766 11.602 1.00 10.00 H new ATOM 691 N ALA A 44 4.328 0.392 10.960 1.00 10.00 N ATOM 692 CA ALA A 44 3.240 -0.295 11.630 1.00 10.00 C ATOM 693 C ALA A 44 1.910 0.055 10.985 1.00 10.00 C ATOM 694 O ALA A 44 1.154 -0.847 10.647 1.00 10.00 O ATOM 695 CB ALA A 44 3.240 0.026 13.127 1.00 10.00 C ATOM 0 H ALA A 44 4.877 0.983 11.584 1.00 10.00 H new ATOM 0 HA ALA A 44 3.388 -1.370 11.523 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.417 -0.499 13.612 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.184 -0.294 13.568 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.119 1.100 13.269 1.00 10.00 H new ATOM 701 N VAL A 45 1.608 1.344 10.793 1.00 10.00 N ATOM 702 CA VAL A 45 0.366 1.721 10.129 1.00 10.00 C ATOM 703 C VAL A 45 0.325 1.127 8.716 1.00 10.00 C ATOM 704 O VAL A 45 -0.702 0.555 8.339 1.00 10.00 O ATOM 705 CB VAL A 45 0.120 3.239 10.182 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.045 4.008 9.242 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.344 3.576 9.868 1.00 10.00 C ATOM 0 H VAL A 45 2.196 2.126 11.083 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.474 1.291 10.674 1.00 10.00 H new ATOM 0 HB VAL A 45 0.344 3.553 11.201 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.833 5.075 9.315 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.082 3.824 9.521 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.881 3.675 8.217 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.487 4.656 9.913 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.593 3.219 8.869 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.993 3.093 10.599 1.00 10.00 H new ATOM 717 N LEU A 46 1.432 1.191 7.952 1.00 10.00 N ATOM 718 CA LEU A 46 1.468 0.505 6.668 1.00 10.00 C ATOM 719 C LEU A 46 1.077 -0.977 6.824 1.00 10.00 C ATOM 720 O LEU A 46 0.239 -1.477 6.078 1.00 10.00 O ATOM 721 CB LEU A 46 2.844 0.694 6.006 1.00 10.00 C ATOM 722 CG LEU A 46 2.761 1.273 4.587 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.162 1.557 4.033 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.067 0.295 3.642 1.00 10.00 C ATOM 0 H LEU A 46 2.283 1.696 8.199 1.00 10.00 H new ATOM 0 HA LEU A 46 0.727 0.948 6.003 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.450 1.355 6.626 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.357 -0.267 5.969 1.00 10.00 H new ATOM 0 HG LEU A 46 2.190 2.199 4.649 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.079 1.967 3.026 1.00 10.00 H new ATOM 0 HD12 LEU A 46 4.669 2.276 4.677 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.735 0.631 4.001 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.020 0.727 2.642 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.629 -0.639 3.608 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.057 0.098 4.000 1.00 10.00 H new ATOM 736 N ARG A 47 1.641 -1.669 7.818 1.00 10.00 N ATOM 737 CA ARG A 47 1.438 -3.100 8.037 1.00 10.00 C ATOM 738 C ARG A 47 0.030 -3.393 8.568 1.00 10.00 C ATOM 739 O ARG A 47 -0.536 -4.451 8.312 1.00 10.00 O ATOM 740 CB ARG A 47 2.531 -3.652 8.973 1.00 10.00 C ATOM 741 CG ARG A 47 3.181 -4.929 8.417 1.00 10.00 C ATOM 742 CD ARG A 47 2.313 -6.187 8.575 1.00 10.00 C ATOM 743 NE ARG A 47 2.381 -6.697 9.953 1.00 10.00 N ATOM 744 CZ ARG A 47 1.534 -7.561 10.541 1.00 10.00 C ATOM 745 NH1 ARG A 47 0.507 -8.096 9.878 1.00 10.00 N ATOM 746 NH2 ARG A 47 1.731 -7.902 11.819 1.00 10.00 N ATOM 0 H ARG A 47 2.262 -1.241 8.504 1.00 10.00 H new ATOM 0 HA ARG A 47 1.522 -3.612 7.079 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.297 -2.891 9.122 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.097 -3.863 9.950 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.402 -4.782 7.360 1.00 10.00 H new ATOM 0 HG3 ARG A 47 4.133 -5.090 8.922 1.00 10.00 H new ATOM 0 HD2 ARG A 47 1.279 -5.956 8.318 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.650 -6.957 7.880 1.00 10.00 H new ATOM 0 HE ARG A 47 3.155 -6.359 10.525 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.349 -7.852 8.900 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -0.120 -8.749 10.349 1.00 10.00 H new ATOM 0 HH21 ARG A 47 2.517 -7.508 12.337 1.00 10.00 H new ATOM 0 HH22 ARG A 47 1.096 -8.556 12.276 1.00 10.00 H new ATOM 760 N ALA A 48 -0.538 -2.462 9.327 1.00 10.00 N ATOM 761 CA ALA A 48 -1.852 -2.590 9.926 1.00 10.00 C ATOM 762 C ALA A 48 -2.912 -2.551 8.835 1.00 10.00 C ATOM 763 O ALA A 48 -3.821 -3.376 8.818 1.00 10.00 O ATOM 764 CB ALA A 48 -2.046 -1.451 10.926 1.00 10.00 C ATOM 0 H ALA A 48 -0.081 -1.576 9.545 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.944 -3.540 10.452 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.031 -1.534 11.385 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.279 -1.510 11.698 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.966 -0.495 10.409 1.00 10.00 H new ATOM 770 N GLN A 49 -2.789 -1.579 7.926 1.00 10.00 N ATOM 771 CA GLN A 49 -3.682 -1.474 6.785 1.00 10.00 C ATOM 772 C GLN A 49 -3.306 -2.453 5.666 1.00 10.00 C ATOM 773 O GLN A 49 -4.108 -2.698 4.766 1.00 10.00 O ATOM 774 CB GLN A 49 -3.692 -0.024 6.288 1.00 10.00 C ATOM 775 CG GLN A 49 -4.925 0.749 6.773 1.00 10.00 C ATOM 776 CD GLN A 49 -6.212 0.294 6.076 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.302 -0.816 5.570 1.00 10.00 O ATOM 778 NE2 GLN A 49 -7.223 1.153 5.993 1.00 10.00 N ATOM 0 H GLN A 49 -2.073 -0.853 7.965 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.688 -1.751 7.101 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.790 0.482 6.632 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.666 -0.016 5.198 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -5.032 0.618 7.850 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.776 1.814 6.595 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -7.143 2.077 6.417 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -8.079 0.888 5.506 1.00 10.00 H new ATOM 787 N ALA A 50 -2.083 -2.993 5.688 1.00 10.00 N ATOM 788 CA ALA A 50 -1.661 -3.973 4.702 1.00 10.00 C ATOM 789 C ALA A 50 -2.674 -5.109 4.552 1.00 10.00 C ATOM 790 O ALA A 50 -3.268 -5.569 5.525 1.00 10.00 O ATOM 791 CB ALA A 50 -0.307 -4.574 5.061 1.00 10.00 C ATOM 0 H ALA A 50 -1.372 -2.762 6.382 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.586 -3.437 3.756 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.020 -5.303 4.303 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.442 -3.783 5.105 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.373 -5.066 6.031 1.00 10.00 H new ATOM 797 N GLY A 51 -2.835 -5.575 3.318 1.00 10.00 N ATOM 798 CA GLY A 51 -3.820 -6.555 2.936 1.00 10.00 C ATOM 799 C GLY A 51 -5.219 -5.993 3.141 1.00 10.00 C ATOM 800 O GLY A 51 -6.028 -6.577 3.852 1.00 10.00 O ATOM 0 H GLY A 51 -2.258 -5.264 2.536 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.681 -6.835 1.892 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.693 -7.461 3.528 1.00 10.00 H new ATOM 804 N GLY A 52 -5.522 -4.874 2.484 1.00 10.00 N ATOM 805 CA GLY A 52 -6.847 -4.292 2.529 1.00 10.00 C ATOM 806 C GLY A 52 -6.866 -2.933 1.842 1.00 10.00 C ATOM 807 O GLY A 52 -5.867 -2.497 1.260 1.00 10.00 O ATOM 0 H GLY A 52 -4.856 -4.355 1.912 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.559 -4.960 2.043 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.167 -4.185 3.566 1.00 10.00 H new ATOM 811 N ASP A 53 -8.023 -2.273 1.915 1.00 10.00 N ATOM 812 CA ASP A 53 -8.211 -0.922 1.421 1.00 10.00 C ATOM 813 C ASP A 53 -7.647 0.063 2.427 1.00 10.00 C ATOM 814 O ASP A 53 -8.207 0.244 3.511 1.00 10.00 O ATOM 815 CB ASP A 53 -9.693 -0.631 1.161 1.00 10.00 C ATOM 816 CG ASP A 53 -10.016 -0.840 -0.305 1.00 10.00 C ATOM 817 OD1 ASP A 53 -9.687 0.087 -1.078 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.543 -1.926 -0.620 1.00 10.00 O ATOM 0 H ASP A 53 -8.865 -2.675 2.327 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.682 -0.818 0.474 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.313 -1.285 1.775 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -9.927 0.394 1.450 1.00 10.00 H new ATOM 823 N ALA A 54 -6.572 0.746 2.033 1.00 10.00 N ATOM 824 CA ALA A 54 -6.005 1.821 2.826 1.00 10.00 C ATOM 825 C ALA A 54 -6.138 3.135 2.087 1.00 10.00 C ATOM 826 O ALA A 54 -5.432 4.085 2.405 1.00 10.00 O ATOM 827 CB ALA A 54 -4.552 1.515 3.177 1.00 10.00 C ATOM 0 H ALA A 54 -6.077 0.566 1.159 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.556 1.906 3.762 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.142 2.331 3.772 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.503 0.589 3.749 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -3.972 1.406 2.261 1.00 10.00 H new ATOM 833 N THR A 55 -7.043 3.204 1.109 1.00 10.00 N ATOM 834 CA THR A 55 -7.195 4.391 0.297 1.00 10.00 C ATOM 835 C THR A 55 -7.543 5.578 1.196 1.00 10.00 C ATOM 836 O THR A 55 -6.866 6.600 1.147 1.00 10.00 O ATOM 837 CB THR A 55 -8.222 4.133 -0.811 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.860 3.006 -1.588 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.223 5.325 -1.764 1.00 10.00 C ATOM 0 H THR A 55 -7.679 2.444 0.867 1.00 10.00 H new ATOM 0 HA THR A 55 -6.261 4.642 -0.206 1.00 10.00 H new ATOM 0 HB THR A 55 -9.191 3.972 -0.339 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.257 2.432 -1.071 1.00 10.00 H new ATOM 0 HG21 THR A 55 -8.950 5.155 -2.558 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.489 6.229 -1.216 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.231 5.444 -2.199 1.00 10.00 H new ATOM 847 N ALA A 56 -8.548 5.411 2.064 1.00 10.00 N ATOM 848 CA ALA A 56 -8.968 6.442 3.005 1.00 10.00 C ATOM 849 C ALA A 56 -7.818 6.857 3.928 1.00 10.00 C ATOM 850 O ALA A 56 -7.664 8.023 4.256 1.00 10.00 O ATOM 851 CB ALA A 56 -10.168 5.949 3.819 1.00 10.00 C ATOM 0 H ALA A 56 -9.092 4.551 2.129 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.265 7.324 2.437 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.476 6.725 4.520 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -10.994 5.719 3.146 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -9.889 5.051 4.371 1.00 10.00 H new ATOM 857 N ASN A 57 -6.998 5.902 4.365 1.00 10.00 N ATOM 858 CA ASN A 57 -5.915 6.163 5.306 1.00 10.00 C ATOM 859 C ASN A 57 -4.802 6.954 4.604 1.00 10.00 C ATOM 860 O ASN A 57 -4.341 7.994 5.075 1.00 10.00 O ATOM 861 CB ASN A 57 -5.425 4.818 5.864 1.00 10.00 C ATOM 862 CG ASN A 57 -4.742 4.963 7.221 1.00 10.00 C ATOM 863 OD1 ASN A 57 -3.941 5.863 7.434 1.00 10.00 O ATOM 864 ND2 ASN A 57 -5.054 4.071 8.159 1.00 10.00 N ATOM 0 H ASN A 57 -7.068 4.926 4.075 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.256 6.773 6.143 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.271 4.137 5.957 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.729 4.367 5.157 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -4.622 4.128 9.081 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -5.725 3.330 7.955 1.00 10.00 H new ATOM 871 N PHE A 58 -4.407 6.459 3.429 1.00 10.00 N ATOM 872 CA PHE A 58 -3.444 7.091 2.541 1.00 10.00 C ATOM 873 C PHE A 58 -3.858 8.528 2.215 1.00 10.00 C ATOM 874 O PHE A 58 -3.048 9.452 2.325 1.00 10.00 O ATOM 875 CB PHE A 58 -3.322 6.242 1.268 1.00 10.00 C ATOM 876 CG PHE A 58 -2.584 6.893 0.113 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.197 6.714 -0.033 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.306 7.565 -0.889 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.532 7.215 -1.165 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.642 8.073 -2.019 1.00 10.00 C ATOM 881 CZ PHE A 58 -1.254 7.902 -2.156 1.00 10.00 C ATOM 0 H PHE A 58 -4.764 5.577 3.062 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.473 7.147 3.033 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -2.815 5.311 1.521 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.325 5.977 0.932 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.640 6.189 0.729 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.374 7.691 -0.790 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.533 7.072 -1.273 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -3.199 8.595 -2.783 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.743 8.298 -3.021 1.00 10.00 H new ATOM 891 N GLU A 59 -5.105 8.713 1.771 1.00 10.00 N ATOM 892 CA GLU A 59 -5.592 10.013 1.343 1.00 10.00 C ATOM 893 C GLU A 59 -5.811 10.941 2.543 1.00 10.00 C ATOM 894 O GLU A 59 -5.476 12.120 2.455 1.00 10.00 O ATOM 895 CB GLU A 59 -6.800 9.861 0.408 1.00 10.00 C ATOM 896 CG GLU A 59 -8.099 9.458 1.114 1.00 10.00 C ATOM 897 CD GLU A 59 -8.913 10.650 1.601 1.00 10.00 C ATOM 898 OE1 GLU A 59 -9.165 11.538 0.758 1.00 10.00 O ATOM 899 OE2 GLU A 59 -9.279 10.641 2.794 1.00 10.00 O ATOM 0 H GLU A 59 -5.796 7.966 1.701 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.830 10.511 0.743 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -6.962 10.804 -0.113 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.566 9.114 -0.350 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.708 8.866 0.431 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.860 8.818 1.964 1.00 10.00 H new ATOM 906 N ALA A 60 -6.302 10.403 3.668 1.00 10.00 N ATOM 907 CA ALA A 60 -6.486 11.143 4.912 1.00 10.00 C ATOM 908 C ALA A 60 -5.206 11.880 5.282 1.00 10.00 C ATOM 909 O ALA A 60 -5.228 13.076 5.562 1.00 10.00 O ATOM 910 CB ALA A 60 -6.893 10.200 6.051 1.00 10.00 C ATOM 0 H ALA A 60 -6.585 9.425 3.734 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.284 11.869 4.761 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.025 10.773 6.969 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.829 9.704 5.796 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.115 9.452 6.199 1.00 10.00 H new ATOM 916 N VAL A 61 -4.086 11.156 5.290 1.00 10.00 N ATOM 917 CA VAL A 61 -2.793 11.780 5.513 1.00 10.00 C ATOM 918 C VAL A 61 -2.456 12.688 4.329 1.00 10.00 C ATOM 919 O VAL A 61 -2.075 13.843 4.514 1.00 10.00 O ATOM 920 CB VAL A 61 -1.730 10.698 5.710 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.357 11.364 5.818 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.011 9.876 6.977 1.00 10.00 C ATOM 0 H VAL A 61 -4.053 10.147 5.146 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.822 12.393 6.414 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.752 10.021 4.856 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.408 10.600 5.959 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.150 11.921 4.904 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.349 12.046 6.668 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.241 9.114 7.094 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.006 10.534 7.846 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -2.986 9.397 6.891 1.00 10.00 H new ATOM 932 N GLY A 62 -2.571 12.151 3.114 1.00 10.00 N ATOM 933 CA GLY A 62 -2.238 12.870 1.900 1.00 10.00 C ATOM 934 C GLY A 62 -0.788 12.606 1.511 1.00 10.00 C ATOM 935 O GLY A 62 0.040 12.232 2.339 1.00 10.00 O ATOM 0 H GLY A 62 -2.900 11.199 2.952 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -2.901 12.560 1.092 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.393 13.939 2.048 1.00 10.00 H new ATOM 939 N HIS A 63 -0.504 12.741 0.215 1.00 10.00 N ATOM 940 CA HIS A 63 0.706 12.235 -0.405 1.00 10.00 C ATOM 941 C HIS A 63 0.992 13.099 -1.641 1.00 10.00 C ATOM 942 O HIS A 63 0.250 13.019 -2.624 1.00 10.00 O ATOM 943 CB HIS A 63 0.477 10.749 -0.742 1.00 10.00 C ATOM 944 CG HIS A 63 0.563 9.823 0.459 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.448 9.436 1.320 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.699 9.195 0.881 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.089 8.598 2.230 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.396 8.407 1.997 1.00 10.00 N ATOM 0 H HIS A 63 -1.125 13.216 -0.440 1.00 10.00 H new ATOM 0 HA HIS A 63 1.577 12.293 0.248 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.504 10.639 -1.203 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.214 10.437 -1.482 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.423 9.731 1.275 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.674 9.291 0.427 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.461 8.141 3.040 1.00 10.00 H new ATOM 956 N SER A 64 2.024 13.952 -1.556 1.00 10.00 N ATOM 957 CA SER A 64 2.440 14.915 -2.574 1.00 10.00 C ATOM 958 C SER A 64 2.814 14.245 -3.899 1.00 10.00 C ATOM 959 O SER A 64 2.929 13.026 -3.964 1.00 10.00 O ATOM 960 CB SER A 64 3.642 15.697 -2.026 1.00 10.00 C ATOM 961 OG SER A 64 3.356 16.128 -0.710 1.00 10.00 O ATOM 0 H SER A 64 2.620 13.986 -0.729 1.00 10.00 H new ATOM 0 HA SER A 64 1.601 15.578 -2.786 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.532 15.068 -2.030 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.855 16.555 -2.664 1.00 10.00 H new ATOM 0 HG SER A 64 4.122 16.626 -0.355 1.00 10.00 H new ATOM 967 N THR A 65 3.056 15.035 -4.951 1.00 10.00 N ATOM 968 CA THR A 65 3.374 14.546 -6.287 1.00 10.00 C ATOM 969 C THR A 65 4.461 13.479 -6.254 1.00 10.00 C ATOM 970 O THR A 65 4.276 12.402 -6.808 1.00 10.00 O ATOM 971 CB THR A 65 3.804 15.722 -7.168 1.00 10.00 C ATOM 972 OG1 THR A 65 2.930 16.807 -6.917 1.00 10.00 O ATOM 973 CG2 THR A 65 3.789 15.344 -8.653 1.00 10.00 C ATOM 0 H THR A 65 3.035 16.053 -4.891 1.00 10.00 H new ATOM 0 HA THR A 65 2.480 14.082 -6.705 1.00 10.00 H new ATOM 0 HB THR A 65 4.829 16.002 -6.924 1.00 10.00 H new ATOM 0 HG1 THR A 65 3.190 17.572 -7.472 1.00 10.00 H new ATOM 0 HG21 THR A 65 4.099 16.202 -9.250 1.00 10.00 H new ATOM 0 HG22 THR A 65 4.476 14.515 -8.824 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.781 15.046 -8.942 1.00 10.00 H new ATOM 981 N ASP A 66 5.572 13.777 -5.575 1.00 10.00 N ATOM 982 CA ASP A 66 6.689 12.856 -5.414 1.00 10.00 C ATOM 983 C ASP A 66 6.176 11.507 -4.921 1.00 10.00 C ATOM 984 O ASP A 66 6.445 10.466 -5.504 1.00 10.00 O ATOM 985 CB ASP A 66 7.682 13.454 -4.406 1.00 10.00 C ATOM 986 CG ASP A 66 9.111 12.991 -4.655 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.270 11.866 -5.170 1.00 10.00 O ATOM 988 OD2 ASP A 66 10.017 13.782 -4.319 1.00 10.00 O ATOM 0 H ASP A 66 5.718 14.677 -5.118 1.00 10.00 H new ATOM 0 HA ASP A 66 7.191 12.705 -6.370 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.641 14.542 -4.461 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.383 13.174 -3.396 1.00 10.00 H new ATOM 993 N ALA A 67 5.348 11.542 -3.876 1.00 10.00 N ATOM 994 CA ALA A 67 4.747 10.341 -3.311 1.00 10.00 C ATOM 995 C ALA A 67 3.800 9.662 -4.307 1.00 10.00 C ATOM 996 O ALA A 67 3.808 8.441 -4.426 1.00 10.00 O ATOM 997 CB ALA A 67 4.033 10.669 -2.002 1.00 10.00 C ATOM 0 H ALA A 67 5.078 12.403 -3.401 1.00 10.00 H new ATOM 0 HA ALA A 67 5.547 9.632 -3.097 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.589 9.762 -1.592 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.750 11.076 -1.289 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.250 11.404 -2.189 1.00 10.00 H new ATOM 1003 N ARG A 68 2.985 10.449 -5.011 1.00 10.00 N ATOM 1004 CA ARG A 68 2.039 10.001 -6.032 1.00 10.00 C ATOM 1005 C ARG A 68 2.768 9.298 -7.195 1.00 10.00 C ATOM 1006 O ARG A 68 2.260 8.331 -7.770 1.00 10.00 O ATOM 1007 CB ARG A 68 1.203 11.219 -6.493 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.303 11.088 -6.208 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.937 12.475 -6.010 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.411 12.421 -6.006 1.00 10.00 N ATOM 1011 CZ ARG A 68 -3.187 11.990 -4.996 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -2.638 11.618 -3.834 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.515 11.931 -5.162 1.00 10.00 N ATOM 0 H ARG A 68 2.966 11.460 -4.879 1.00 10.00 H new ATOM 0 HA ARG A 68 1.361 9.255 -5.618 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.580 12.114 -5.997 1.00 10.00 H new ATOM 0 HB3 ARG A 68 1.349 11.362 -7.564 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.792 10.573 -7.035 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.459 10.480 -5.317 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.589 12.900 -5.069 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.602 13.142 -6.804 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.887 12.741 -6.850 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.626 11.661 -3.711 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -3.231 11.292 -3.071 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.931 12.212 -6.050 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -5.110 11.605 -4.400 1.00 10.00 H new ATOM 1027 N GLU A 69 3.966 9.777 -7.539 1.00 10.00 N ATOM 1028 CA GLU A 69 4.815 9.216 -8.585 1.00 10.00 C ATOM 1029 C GLU A 69 5.571 7.997 -8.044 1.00 10.00 C ATOM 1030 O GLU A 69 5.686 6.960 -8.699 1.00 10.00 O ATOM 1031 CB GLU A 69 5.746 10.321 -9.099 1.00 10.00 C ATOM 1032 CG GLU A 69 5.103 11.084 -10.268 1.00 10.00 C ATOM 1033 CD GLU A 69 5.383 10.400 -11.603 1.00 10.00 C ATOM 1034 OE1 GLU A 69 6.427 10.740 -12.198 1.00 10.00 O ATOM 1035 OE2 GLU A 69 4.555 9.547 -11.996 1.00 10.00 O ATOM 0 H GLU A 69 4.381 10.589 -7.083 1.00 10.00 H new ATOM 0 HA GLU A 69 4.221 8.861 -9.427 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.975 11.014 -8.290 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.691 9.884 -9.421 1.00 10.00 H new ATOM 0 HG2 GLU A 69 4.026 11.152 -10.111 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.486 12.104 -10.293 1.00 10.00 H new ATOM 1042 N LEU A 70 6.055 8.092 -6.810 1.00 10.00 N ATOM 1043 CA LEU A 70 6.735 7.007 -6.134 1.00 10.00 C ATOM 1044 C LEU A 70 5.793 5.805 -6.064 1.00 10.00 C ATOM 1045 O LEU A 70 6.118 4.725 -6.547 1.00 10.00 O ATOM 1046 CB LEU A 70 7.224 7.503 -4.766 1.00 10.00 C ATOM 1047 CG LEU A 70 8.040 6.546 -3.880 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.476 5.284 -4.601 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.255 7.244 -3.268 1.00 10.00 C ATOM 0 H LEU A 70 5.982 8.940 -6.248 1.00 10.00 H new ATOM 0 HA LEU A 70 7.621 6.677 -6.677 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.829 8.394 -4.935 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.349 7.816 -4.196 1.00 10.00 H new ATOM 0 HG LEU A 70 7.363 6.243 -3.081 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.047 4.654 -3.919 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.597 4.741 -4.947 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.098 5.550 -5.456 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.807 6.537 -2.649 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.902 7.612 -4.064 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.923 8.081 -2.654 1.00 10.00 H new ATOM 1061 N SER A 71 4.596 5.994 -5.514 1.00 10.00 N ATOM 1062 CA SER A 71 3.558 4.977 -5.510 1.00 10.00 C ATOM 1063 C SER A 71 3.468 4.301 -6.883 1.00 10.00 C ATOM 1064 O SER A 71 3.553 3.081 -6.957 1.00 10.00 O ATOM 1065 CB SER A 71 2.228 5.553 -5.003 1.00 10.00 C ATOM 1066 OG SER A 71 1.705 6.625 -5.759 1.00 10.00 O ATOM 0 H SER A 71 4.321 6.864 -5.057 1.00 10.00 H new ATOM 0 HA SER A 71 3.820 4.189 -4.804 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.489 4.752 -4.981 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.365 5.888 -3.975 1.00 10.00 H new ATOM 0 HG SER A 71 2.333 6.857 -6.475 1.00 10.00 H new ATOM 1072 N LYS A 72 3.371 5.065 -7.979 1.00 10.00 N ATOM 1073 CA LYS A 72 3.351 4.482 -9.321 1.00 10.00 C ATOM 1074 C LYS A 72 4.564 3.567 -9.568 1.00 10.00 C ATOM 1075 O LYS A 72 4.404 2.475 -10.104 1.00 10.00 O ATOM 1076 CB LYS A 72 3.250 5.577 -10.395 1.00 10.00 C ATOM 1077 CG LYS A 72 1.858 6.215 -10.429 1.00 10.00 C ATOM 1078 CD LYS A 72 0.852 5.318 -11.171 1.00 10.00 C ATOM 1079 CE LYS A 72 0.315 5.992 -12.442 1.00 10.00 C ATOM 1080 NZ LYS A 72 1.346 6.104 -13.497 1.00 10.00 N ATOM 0 H LYS A 72 3.306 6.083 -7.960 1.00 10.00 H new ATOM 0 HA LYS A 72 2.461 3.857 -9.391 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.998 6.346 -10.201 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.478 5.150 -11.372 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.511 6.390 -9.411 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.913 7.187 -10.919 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.331 4.375 -11.435 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.021 5.078 -10.508 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.531 5.421 -12.823 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.057 6.986 -12.194 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 0.937 6.565 -14.335 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 2.143 6.671 -13.144 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 1.684 5.155 -13.755 1.00 10.00 H new ATOM 1094 N THR A 73 5.762 3.968 -9.141 1.00 10.00 N ATOM 1095 CA THR A 73 6.959 3.127 -9.203 1.00 10.00 C ATOM 1096 C THR A 73 6.806 1.819 -8.411 1.00 10.00 C ATOM 1097 O THR A 73 7.427 0.819 -8.766 1.00 10.00 O ATOM 1098 CB THR A 73 8.202 3.951 -8.809 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.509 4.835 -9.869 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.445 3.116 -8.482 1.00 10.00 C ATOM 0 H THR A 73 5.931 4.891 -8.740 1.00 10.00 H new ATOM 0 HA THR A 73 7.100 2.801 -10.233 1.00 10.00 H new ATOM 0 HB THR A 73 7.944 4.478 -7.890 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.297 5.368 -9.633 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.269 3.778 -8.216 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.228 2.453 -7.645 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.724 2.522 -9.352 1.00 10.00 H new ATOM 1108 N PHE A 74 5.968 1.802 -7.373 1.00 10.00 N ATOM 1109 CA PHE A 74 5.649 0.595 -6.607 1.00 10.00 C ATOM 1110 C PHE A 74 4.357 -0.070 -7.082 1.00 10.00 C ATOM 1111 O PHE A 74 3.927 -1.054 -6.479 1.00 10.00 O ATOM 1112 CB PHE A 74 5.538 0.912 -5.108 1.00 10.00 C ATOM 1113 CG PHE A 74 6.858 1.103 -4.393 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.801 0.057 -4.383 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.079 2.248 -3.607 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.003 0.197 -3.671 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.270 2.374 -2.873 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.240 1.360 -2.922 1.00 10.00 C ATOM 0 H PHE A 74 5.486 2.635 -7.036 1.00 10.00 H new ATOM 0 HA PHE A 74 6.469 -0.103 -6.774 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.943 1.817 -4.987 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.992 0.104 -4.621 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.599 -0.855 -4.925 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.334 3.029 -3.568 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.744 -0.589 -3.700 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.440 3.253 -2.269 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.169 1.475 -2.383 1.00 10.00 H new ATOM 1128 N ILE A 75 3.704 0.451 -8.123 1.00 10.00 N ATOM 1129 CA ILE A 75 2.475 -0.165 -8.597 1.00 10.00 C ATOM 1130 C ILE A 75 2.791 -1.575 -9.108 1.00 10.00 C ATOM 1131 O ILE A 75 3.717 -1.750 -9.897 1.00 10.00 O ATOM 1132 CB ILE A 75 1.787 0.734 -9.636 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.281 0.721 -9.366 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.141 0.387 -11.088 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.506 1.435 -10.453 1.00 10.00 C ATOM 0 H ILE A 75 4.001 1.279 -8.640 1.00 10.00 H new ATOM 0 HA ILE A 75 1.757 -0.271 -7.784 1.00 10.00 H new ATOM 0 HB ILE A 75 2.166 1.749 -9.520 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.063 -0.310 -9.289 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.082 1.196 -8.405 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.617 1.065 -11.762 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.216 0.489 -11.235 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.841 -0.639 -11.300 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.569 1.399 -10.216 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.183 2.474 -10.513 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.331 0.945 -11.411 1.00 10.00 H new ATOM 1147 N ILE A 76 2.034 -2.581 -8.666 1.00 10.00 N ATOM 1148 CA ILE A 76 2.160 -3.942 -9.191 1.00 10.00 C ATOM 1149 C ILE A 76 1.006 -4.290 -10.127 1.00 10.00 C ATOM 1150 O ILE A 76 1.015 -5.347 -10.759 1.00 10.00 O ATOM 1151 CB ILE A 76 2.277 -4.952 -8.045 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.226 -4.681 -6.957 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.706 -4.903 -7.492 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.068 -5.856 -5.993 1.00 10.00 C ATOM 0 H ILE A 76 1.323 -2.478 -7.942 1.00 10.00 H new ATOM 0 HA ILE A 76 3.075 -3.992 -9.781 1.00 10.00 H new ATOM 0 HB ILE A 76 2.078 -5.957 -8.417 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.509 -3.790 -6.396 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.266 -4.469 -7.428 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.805 -5.617 -6.675 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.411 -5.157 -8.283 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.920 -3.899 -7.124 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.314 -5.613 -5.244 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.757 -6.742 -6.547 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.020 -6.052 -5.499 1.00 10.00 H new ATOM 1166 N GLY A 77 0.011 -3.407 -10.205 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.143 -3.541 -11.056 1.00 10.00 C ATOM 1168 C GLY A 77 -2.308 -2.871 -10.354 1.00 10.00 C ATOM 1169 O GLY A 77 -2.124 -1.946 -9.559 1.00 10.00 O ATOM 0 H GLY A 77 -0.002 -2.551 -9.651 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.961 -3.076 -12.025 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.361 -4.592 -11.243 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.502 -3.373 -10.635 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.743 -2.756 -10.240 1.00 10.00 C ATOM 1175 C GLU A 78 -5.660 -3.772 -9.574 1.00 10.00 C ATOM 1176 O GLU A 78 -5.412 -4.978 -9.565 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.352 -2.048 -11.461 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.908 -0.578 -11.525 1.00 10.00 C ATOM 1179 CD GLU A 78 -4.607 -0.088 -12.935 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -3.777 -0.749 -13.595 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.177 0.963 -13.300 1.00 10.00 O ATOM 0 H GLU A 78 -3.629 -4.241 -11.156 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.578 -1.992 -9.481 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.049 -2.563 -12.373 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.440 -2.101 -11.411 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.689 0.047 -11.092 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.019 -0.450 -10.908 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.713 -3.245 -8.967 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.731 -4.030 -8.305 1.00 10.00 C ATOM 1190 C LEU A 79 -8.469 -4.869 -9.351 1.00 10.00 C ATOM 1191 O LEU A 79 -8.847 -4.347 -10.400 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.675 -3.043 -7.619 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.904 -3.726 -7.011 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.585 -4.222 -5.603 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.052 -2.722 -7.011 1.00 10.00 C ATOM 0 H LEU A 79 -6.882 -2.240 -8.923 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.309 -4.713 -7.567 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.133 -2.514 -6.835 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.000 -2.295 -8.342 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.193 -4.597 -7.599 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.465 -4.706 -5.180 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.763 -4.937 -5.647 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.298 -3.378 -4.976 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.941 -3.185 -6.582 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.774 -1.851 -6.417 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.263 -2.411 -8.034 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.710 -6.148 -9.065 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.461 -7.039 -9.944 1.00 10.00 C ATOM 1209 C HIS A 80 -10.842 -6.481 -10.313 1.00 10.00 C ATOM 1210 O HIS A 80 -11.516 -5.879 -9.476 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.579 -8.413 -9.279 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.677 -9.560 -10.243 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.812 -10.265 -10.556 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.633 -10.137 -10.915 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.466 -11.225 -11.425 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.148 -11.185 -11.681 1.00 10.00 N ATOM 0 H HIS A 80 -8.386 -6.597 -8.209 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.915 -7.129 -10.883 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.713 -8.568 -8.635 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.459 -8.418 -8.636 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.597 -9.836 -10.862 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.154 -11.935 -11.860 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.628 -11.797 -12.309 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.302 -6.699 -11.556 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.623 -6.274 -11.982 1.00 10.00 C ATOM 1226 C PRO A 81 -13.763 -7.087 -11.350 1.00 10.00 C ATOM 1227 O PRO A 81 -14.921 -6.739 -11.549 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.617 -6.349 -13.509 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.549 -7.396 -13.818 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.558 -7.269 -12.668 1.00 10.00 C ATOM 0 HA PRO A 81 -12.823 -5.259 -11.639 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.591 -6.644 -13.899 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.373 -5.385 -13.956 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.976 -8.398 -13.867 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.071 -7.206 -14.779 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.143 -8.241 -12.402 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.720 -6.630 -12.945 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.448 -8.148 -10.597 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.429 -8.917 -9.832 1.00 10.00 C ATOM 1240 C ASP A 82 -14.803 -8.200 -8.528 1.00 10.00 C ATOM 1241 O ASP A 82 -15.909 -8.363 -8.020 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.858 -10.311 -9.543 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.895 -11.249 -8.944 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.848 -11.577 -9.682 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.668 -11.673 -7.792 1.00 10.00 O ATOM 0 H ASP A 82 -12.494 -8.498 -10.503 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.342 -9.013 -10.420 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.473 -10.742 -10.467 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.015 -10.221 -8.858 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.865 -7.420 -7.977 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.071 -6.697 -6.727 1.00 10.00 C ATOM 1252 C ASP A 83 -14.983 -5.482 -6.936 1.00 10.00 C ATOM 1253 O ASP A 83 -15.963 -5.299 -6.214 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.714 -6.272 -6.160 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.905 -5.474 -4.880 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.187 -4.264 -4.980 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.738 -6.101 -3.818 1.00 10.00 O ATOM 0 H ASP A 83 -12.943 -7.276 -8.389 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.567 -7.355 -6.013 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.104 -7.153 -5.960 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.177 -5.672 -6.894 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.608 -4.645 -7.907 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.260 -3.372 -8.193 1.00 10.00 C ATOM 1264 C ARG A 84 -16.703 -3.534 -8.683 1.00 10.00 C ATOM 1265 O ARG A 84 -17.428 -2.516 -8.632 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.435 -2.597 -9.229 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.496 -3.283 -10.601 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.542 -2.645 -11.616 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.129 -2.743 -11.200 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.141 -2.016 -11.751 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.409 -1.207 -12.782 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -9.891 -2.092 -11.291 1.00 10.00 N ATOM 0 H ARG A 84 -13.824 -4.842 -8.529 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.311 -2.817 -7.256 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.811 -1.577 -9.311 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.399 -2.529 -8.898 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.249 -4.339 -10.488 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.515 -3.234 -10.984 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.667 -3.131 -12.584 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.807 -1.596 -11.750 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.889 -3.397 -10.455 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.359 -1.144 -13.147 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.663 -0.654 -13.203 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.672 -2.709 -10.509 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.154 -1.533 -11.721 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.684 7.233 2.940 1.00 10.00 FE HETATM 1288 CHA HEM A 201 3.936 10.030 4.597 1.00 10.00 C HETATM 1289 CHB HEM A 201 4.969 7.687 0.375 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.354 4.467 1.325 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.494 6.685 5.648 1.00 10.00 C HETATM 1292 NA HEM A 201 4.190 8.605 2.560 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.480 9.686 3.350 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.477 10.469 2.651 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.813 9.782 1.501 1.00 10.00 C HETATM 1296 C4A HEM A 201 4.975 8.606 1.436 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.841 10.206 0.473 1.00 10.00 C HETATM 1298 CAA HEM A 201 5.961 11.856 3.036 1.00 10.00 C HETATM 1299 CBA HEM A 201 6.574 11.979 4.443 1.00 10.00 C HETATM 1300 CGA HEM A 201 7.910 12.720 4.519 1.00 10.00 C HETATM 1301 O1A HEM A 201 8.374 12.902 5.664 1.00 10.00 O HETATM 1302 O2A HEM A 201 8.455 13.088 3.455 1.00 10.00 O HETATM 1303 NB HEM A 201 3.074 6.270 1.176 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.061 6.628 0.281 1.00 10.00 C HETATM 1305 C2B HEM A 201 4.006 5.697 -0.824 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.972 4.839 -0.549 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.395 5.171 0.724 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.923 5.647 -2.019 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.541 3.680 -1.417 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.622 3.822 -2.386 1.00 10.00 C HETATM 1311 NC HEM A 201 1.164 5.863 3.379 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.810 4.811 2.565 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.256 4.092 3.225 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.487 4.739 4.409 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.414 5.850 4.532 1.00 10.00 C HETATM 1316 CMC HEM A 201 -1.027 2.909 2.713 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.578 4.389 5.394 1.00 10.00 C HETATM 1318 CBC HEM A 201 -1.561 3.217 6.066 1.00 10.00 C HETATM 1319 ND HEM A 201 2.287 8.189 4.801 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.398 7.744 5.741 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.609 8.526 6.935 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.523 9.512 6.631 1.00 10.00 C HETATM 1323 C4D HEM A 201 2.964 9.281 5.268 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.032 8.231 8.301 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.046 10.538 7.619 1.00 10.00 C HETATM 1326 CBD HEM A 201 1.993 11.456 8.231 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.372 11.851 9.652 1.00 10.00 C HETATM 1328 O1D HEM A 201 1.562 11.556 10.558 1.00 10.00 O HETATM 1329 O2D HEM A 201 3.477 12.411 9.808 1.00 10.00 O HETATM 0 HMA1 HEM A 201 6.925 11.293 0.470 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 6.531 9.863 -0.514 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 7.807 9.768 0.723 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.285 6.651 -2.242 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.379 5.258 -2.879 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.770 4.996 -1.801 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.345 2.291 3.553 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.393 2.321 2.049 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.903 3.255 2.165 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 1.712 8.597 9.070 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 0.900 7.155 8.416 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 0.067 8.728 8.404 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 1.334 2.964 -2.994 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 1.164 4.795 -2.564 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.357 2.982 6.773 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -0.751 2.506 5.902 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 6.711 10.977 4.849 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 5.859 12.489 5.088 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 5.122 12.548 2.963 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.704 12.178 2.306 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.026 10.954 8.235 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 1.885 12.351 7.618 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 3.792 11.154 7.116 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.558 10.012 8.425 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.292 10.933 5.070 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.703 7.804 -0.409 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.947 3.612 0.806 1.00 10.00 H new HETATM 0 HHD HEM A 201 -0.174 6.503 6.477 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.989 2.700 -1.252 1.00 10.00 H new HETATM 0 HAC HEM A 201 -2.392 5.093 5.565 1.00 10.00 H new