USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 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 71 SER OG : rot 77:sc= 0.622 USER MOD Set 1.2: A 201 HEM CMB :methyl -30:sc= -0.539 (180deg=-1.4) USER MOD Set 2.1: A 21 THR OG1 : rot 71:sc= 0.117 USER MOD Set 2.2: A 33 THR OG1 : rot -130:sc= -0.534 USER MOD Set 3.1: A 15 HIS : no HD1:sc= 0.669 K(o=1.9,f=-3.2) USER MOD Set 3.2: A 20 SER OG : rot 159:sc= 1.25 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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -147:sc= 1.39 USER MOD Single : A 13 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.239 K(o=-0.24,f=-3.5!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 24:sc= 1.07 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.44) 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.805 K(o=-0.8,f=-2.6) USER MOD Single : A 55 THR OG1 : rot 170:sc= 0.727 USER MOD Single : A 57 ASN : amide:sc= 0.165 K(o=0.16,f=-2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.157 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0827 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 HE2:sc= -1.46! C(o=-1.5!,f=-7.3!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0658 (180deg=-0.52) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.391 (180deg=-0.66) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.234 (180deg=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 3.765 -5.021 -19.060 1.00 10.00 N ATOM 2 CA ALA A 3 2.872 -6.020 -18.450 1.00 10.00 C ATOM 3 C ALA A 3 1.758 -5.244 -17.754 1.00 10.00 C ATOM 4 O ALA A 3 1.994 -4.069 -17.483 1.00 10.00 O ATOM 5 CB ALA A 3 2.428 -7.092 -19.456 1.00 10.00 C ATOM 0 HA ALA A 3 3.380 -6.622 -17.696 1.00 10.00 H new ATOM 0 HB1 ALA A 3 1.771 -7.806 -18.960 1.00 10.00 H new ATOM 0 HB2 ALA A 3 1.894 -6.619 -20.280 1.00 10.00 H new ATOM 0 HB3 ALA A 3 3.304 -7.613 -19.843 1.00 10.00 H new ATOM 13 N VAL A 4 0.636 -5.873 -17.403 1.00 10.00 N ATOM 14 CA VAL A 4 -0.147 -5.496 -16.238 1.00 10.00 C ATOM 15 C VAL A 4 -0.862 -6.767 -15.796 1.00 10.00 C ATOM 16 O VAL A 4 -1.173 -7.621 -16.631 1.00 10.00 O ATOM 17 CB VAL A 4 -1.097 -4.311 -16.507 1.00 10.00 C ATOM 18 CG1 VAL A 4 -2.313 -4.681 -17.366 1.00 10.00 C ATOM 19 CG2 VAL A 4 -1.580 -3.694 -15.186 1.00 10.00 C ATOM 0 H VAL A 4 0.248 -6.660 -17.924 1.00 10.00 H new ATOM 0 HA VAL A 4 0.490 -5.117 -15.439 1.00 10.00 H new ATOM 0 HB VAL A 4 -0.511 -3.586 -17.073 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -2.936 -3.799 -17.514 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -1.975 -5.053 -18.333 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -2.893 -5.454 -16.862 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -2.249 -2.860 -15.397 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -2.112 -4.448 -14.605 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -0.722 -3.336 -14.617 1.00 10.00 H new ATOM 29 N LYS A 5 -1.078 -6.917 -14.495 1.00 10.00 N ATOM 30 CA LYS A 5 -1.871 -7.988 -13.932 1.00 10.00 C ATOM 31 C LYS A 5 -2.754 -7.360 -12.865 1.00 10.00 C ATOM 32 O LYS A 5 -2.592 -6.186 -12.521 1.00 10.00 O ATOM 33 CB LYS A 5 -0.974 -9.112 -13.378 1.00 10.00 C ATOM 34 CG LYS A 5 -1.525 -10.505 -13.728 1.00 10.00 C ATOM 35 CD LYS A 5 -1.213 -10.874 -15.190 1.00 10.00 C ATOM 36 CE LYS A 5 -2.330 -11.676 -15.875 1.00 10.00 C ATOM 37 NZ LYS A 5 -3.466 -10.821 -16.279 1.00 10.00 N ATOM 0 H LYS A 5 -0.697 -6.282 -13.793 1.00 10.00 H new ATOM 0 HA LYS A 5 -2.491 -8.466 -14.690 1.00 10.00 H new ATOM 0 HB2 LYS A 5 0.033 -9.007 -13.782 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.894 -9.014 -12.295 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -1.090 -11.249 -13.061 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -2.603 -10.524 -13.567 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -1.034 -9.960 -15.756 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.290 -11.453 -15.220 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.927 -12.180 -16.753 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.685 -12.452 -15.197 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -4.195 -11.405 -16.737 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -3.869 -10.360 -15.439 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -3.134 -10.096 -16.946 1.00 10.00 H new ATOM 51 N TYR A 6 -3.706 -8.145 -12.377 1.00 10.00 N ATOM 52 CA TYR A 6 -4.651 -7.729 -11.382 1.00 10.00 C ATOM 53 C TYR A 6 -4.614 -8.738 -10.247 1.00 10.00 C ATOM 54 O TYR A 6 -4.215 -9.881 -10.469 1.00 10.00 O ATOM 55 CB TYR A 6 -6.034 -7.688 -12.010 1.00 10.00 C ATOM 56 CG TYR A 6 -6.175 -6.778 -13.214 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.517 -5.427 -13.038 1.00 10.00 C ATOM 58 CD2 TYR A 6 -5.949 -7.278 -14.510 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.602 -4.571 -14.149 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.010 -6.417 -15.619 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.326 -5.060 -15.435 1.00 10.00 C ATOM 62 OH TYR A 6 -6.380 -4.219 -16.506 1.00 10.00 O ATOM 0 H TYR A 6 -3.835 -9.111 -12.678 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.409 -6.738 -10.997 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.310 -8.700 -12.307 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.750 -7.372 -11.251 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.715 -5.046 -12.047 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -5.728 -8.326 -14.653 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.880 -3.536 -14.013 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -5.814 -6.797 -16.611 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.161 -4.715 -17.323 1.00 10.00 H new ATOM 72 N TYR A 7 -5.038 -8.316 -9.057 1.00 10.00 N ATOM 73 CA TYR A 7 -5.080 -9.156 -7.873 1.00 10.00 C ATOM 74 C TYR A 7 -6.443 -8.982 -7.200 1.00 10.00 C ATOM 75 O TYR A 7 -6.995 -7.878 -7.200 1.00 10.00 O ATOM 76 CB TYR A 7 -3.919 -8.777 -6.948 1.00 10.00 C ATOM 77 CG TYR A 7 -2.560 -8.757 -7.623 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.848 -9.955 -7.811 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.034 -7.547 -8.114 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.603 -9.940 -8.464 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.802 -7.538 -8.790 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.080 -8.730 -8.950 1.00 10.00 C ATOM 83 OH TYR A 7 1.125 -8.711 -9.585 1.00 10.00 O ATOM 0 H TYR A 7 -5.366 -7.365 -8.891 1.00 10.00 H new ATOM 0 HA TYR A 7 -4.963 -10.209 -8.129 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.115 -7.792 -6.524 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.888 -9.481 -6.117 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.258 -10.888 -7.453 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.578 -6.625 -7.971 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.049 -10.858 -8.592 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.411 -6.613 -9.187 1.00 10.00 H new ATOM 0 HH TYR A 7 1.337 -7.794 -9.858 1.00 10.00 H new ATOM 93 N THR A 8 -7.004 -10.081 -6.689 1.00 10.00 N ATOM 94 CA THR A 8 -8.285 -10.097 -5.999 1.00 10.00 C ATOM 95 C THR A 8 -8.102 -9.488 -4.611 1.00 10.00 C ATOM 96 O THR A 8 -6.994 -9.503 -4.068 1.00 10.00 O ATOM 97 CB THR A 8 -8.776 -11.551 -5.880 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.838 -12.257 -5.085 1.00 10.00 O ATOM 99 CG2 THR A 8 -8.951 -12.179 -7.267 1.00 10.00 C ATOM 0 H THR A 8 -6.567 -11.001 -6.748 1.00 10.00 H new ATOM 0 HA THR A 8 -9.023 -9.518 -6.554 1.00 10.00 H new ATOM 0 HB THR A 8 -9.755 -11.593 -5.403 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.781 -13.185 -5.393 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.299 -13.207 -7.160 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.683 -11.606 -7.836 1.00 10.00 H new ATOM 0 HG23 THR A 8 -7.996 -12.172 -7.793 1.00 10.00 H new ATOM 107 N LEU A 9 -9.187 -8.993 -4.006 1.00 10.00 N ATOM 108 CA LEU A 9 -9.130 -8.527 -2.632 1.00 10.00 C ATOM 109 C LEU A 9 -8.559 -9.635 -1.747 1.00 10.00 C ATOM 110 O LEU A 9 -7.712 -9.358 -0.911 1.00 10.00 O ATOM 111 CB LEU A 9 -10.513 -8.067 -2.147 1.00 10.00 C ATOM 112 CG LEU A 9 -10.498 -6.650 -1.533 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.894 -6.247 -1.032 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.531 -6.480 -0.354 1.00 10.00 C ATOM 0 H LEU A 9 -10.103 -8.908 -4.447 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.472 -7.660 -2.572 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.210 -8.086 -2.985 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.885 -8.774 -1.406 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.161 -6.012 -2.350 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.852 -5.245 -0.605 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.597 -6.257 -1.865 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.225 -6.953 -0.270 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.585 -5.456 0.016 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.806 -7.169 0.444 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.514 -6.694 -0.684 1.00 10.00 H new ATOM 126 N GLU A 10 -8.983 -10.886 -1.966 1.00 10.00 N ATOM 127 CA GLU A 10 -8.486 -12.052 -1.242 1.00 10.00 C ATOM 128 C GLU A 10 -6.962 -12.155 -1.324 1.00 10.00 C ATOM 129 O GLU A 10 -6.271 -12.104 -0.307 1.00 10.00 O ATOM 130 CB GLU A 10 -9.148 -13.329 -1.775 1.00 10.00 C ATOM 131 CG GLU A 10 -8.965 -14.517 -0.817 1.00 10.00 C ATOM 132 CD GLU A 10 -9.761 -14.359 0.473 1.00 10.00 C ATOM 133 OE1 GLU A 10 -11.005 -14.432 0.380 1.00 10.00 O ATOM 134 OE2 GLU A 10 -9.109 -14.178 1.523 1.00 10.00 O ATOM 0 H GLU A 10 -9.692 -11.115 -2.663 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.749 -11.934 -0.191 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.212 -13.148 -1.929 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.723 -13.579 -2.747 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.273 -15.434 -1.319 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.907 -14.625 -0.576 1.00 10.00 H new ATOM 141 N GLU A 11 -6.424 -12.300 -2.538 1.00 10.00 N ATOM 142 CA GLU A 11 -4.989 -12.410 -2.738 1.00 10.00 C ATOM 143 C GLU A 11 -4.273 -11.249 -2.058 1.00 10.00 C ATOM 144 O GLU A 11 -3.325 -11.459 -1.308 1.00 10.00 O ATOM 145 CB GLU A 11 -4.661 -12.490 -4.236 1.00 10.00 C ATOM 146 CG GLU A 11 -4.429 -13.942 -4.675 1.00 10.00 C ATOM 147 CD GLU A 11 -5.600 -14.851 -4.317 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.702 -14.593 -4.856 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.363 -15.773 -3.503 1.00 10.00 O ATOM 0 H GLU A 11 -6.971 -12.343 -3.398 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.632 -13.332 -2.278 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.478 -12.059 -4.814 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.772 -11.896 -4.449 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.266 -13.971 -5.752 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.522 -14.321 -4.205 1.00 10.00 H new ATOM 156 N ILE A 12 -4.738 -10.020 -2.267 1.00 10.00 N ATOM 157 CA ILE A 12 -4.109 -8.871 -1.633 1.00 10.00 C ATOM 158 C ILE A 12 -4.199 -9.007 -0.097 1.00 10.00 C ATOM 159 O ILE A 12 -3.210 -8.797 0.603 1.00 10.00 O ATOM 160 CB ILE A 12 -4.725 -7.573 -2.190 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.618 -7.505 -3.730 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.029 -6.333 -1.613 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.640 -6.532 -4.320 1.00 10.00 C ATOM 0 H ILE A 12 -5.536 -9.798 -2.862 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.046 -8.829 -1.869 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.774 -7.584 -1.895 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.612 -7.194 -4.013 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.774 -8.498 -4.151 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.487 -5.434 -2.026 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.134 -6.329 -0.528 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.971 -6.355 -1.875 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.536 -6.509 -5.405 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.646 -6.859 -4.058 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.466 -5.534 -3.918 1.00 10.00 H new ATOM 175 N GLN A 13 -5.356 -9.412 0.437 1.00 10.00 N ATOM 176 CA GLN A 13 -5.583 -9.665 1.851 1.00 10.00 C ATOM 177 C GLN A 13 -4.741 -10.816 2.393 1.00 10.00 C ATOM 178 O GLN A 13 -4.597 -10.920 3.606 1.00 10.00 O ATOM 179 CB GLN A 13 -7.063 -9.966 2.121 1.00 10.00 C ATOM 180 CG GLN A 13 -7.931 -8.711 2.271 1.00 10.00 C ATOM 181 CD GLN A 13 -9.043 -8.916 3.294 1.00 10.00 C ATOM 182 OE1 GLN A 13 -10.221 -8.924 2.958 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.674 -9.081 4.563 1.00 10.00 N ATOM 0 H GLN A 13 -6.187 -9.577 -0.131 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.282 -8.754 2.368 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.456 -10.573 1.305 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -7.143 -10.563 3.030 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.307 -7.871 2.575 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.367 -8.452 1.306 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -7.685 -9.070 4.812 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.380 -9.219 5.286 1.00 10.00 H new ATOM 192 N LYS A 14 -4.196 -11.690 1.547 1.00 10.00 N ATOM 193 CA LYS A 14 -3.243 -12.688 2.007 1.00 10.00 C ATOM 194 C LYS A 14 -1.873 -12.049 2.299 1.00 10.00 C ATOM 195 O LYS A 14 -1.057 -12.651 2.997 1.00 10.00 O ATOM 196 CB LYS A 14 -3.191 -13.858 1.009 1.00 10.00 C ATOM 197 CG LYS A 14 -4.548 -14.592 0.965 1.00 10.00 C ATOM 198 CD LYS A 14 -4.433 -16.087 1.301 1.00 10.00 C ATOM 199 CE LYS A 14 -4.322 -16.922 0.016 1.00 10.00 C ATOM 200 NZ LYS A 14 -3.992 -18.333 0.301 1.00 10.00 N ATOM 0 H LYS A 14 -4.399 -11.724 0.548 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.572 -13.106 2.958 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.940 -13.486 0.016 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.403 -14.554 1.297 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.234 -14.119 1.668 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.983 -14.481 -0.028 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.559 -16.258 1.929 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -5.304 -16.405 1.874 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.264 -16.873 -0.531 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -3.556 -16.494 -0.630 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -3.926 -18.861 -0.592 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -3.081 -18.382 0.800 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -4.736 -18.750 0.896 1.00 10.00 H new ATOM 214 N HIS A 15 -1.604 -10.840 1.786 1.00 10.00 N ATOM 215 CA HIS A 15 -0.324 -10.152 1.920 1.00 10.00 C ATOM 216 C HIS A 15 -0.457 -9.024 2.962 1.00 10.00 C ATOM 217 O HIS A 15 -0.530 -7.844 2.607 1.00 10.00 O ATOM 218 CB HIS A 15 0.130 -9.626 0.543 1.00 10.00 C ATOM 219 CG HIS A 15 0.443 -10.659 -0.520 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.472 -10.570 -1.428 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.277 -11.778 -0.848 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.390 -11.623 -2.258 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.343 -12.396 -1.938 1.00 10.00 N ATOM 0 H HIS A 15 -2.291 -10.305 1.254 1.00 10.00 H new ATOM 0 HA HIS A 15 0.443 -10.841 2.274 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.650 -8.969 0.158 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.019 -9.013 0.691 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.171 -12.123 -0.350 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.073 -11.820 -3.071 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.056 -13.261 -2.397 1.00 10.00 H new ATOM 231 N ASN A 16 -0.481 -9.392 4.254 1.00 10.00 N ATOM 232 CA ASN A 16 -0.661 -8.464 5.381 1.00 10.00 C ATOM 233 C ASN A 16 -0.341 -9.110 6.735 1.00 10.00 C ATOM 234 O ASN A 16 -1.181 -9.163 7.629 1.00 10.00 O ATOM 235 CB ASN A 16 -2.092 -7.908 5.401 1.00 10.00 C ATOM 236 CG ASN A 16 -3.152 -9.007 5.440 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.841 -10.177 5.661 1.00 10.00 O ATOM 238 ND2 ASN A 16 -4.410 -8.673 5.169 1.00 10.00 N ATOM 0 H ASN A 16 -0.374 -10.362 4.549 1.00 10.00 H new ATOM 0 HA ASN A 16 0.048 -7.650 5.228 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.214 -7.261 6.270 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.249 -7.289 4.518 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -5.134 -9.391 5.142 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.651 -7.699 4.988 1.00 10.00 H new ATOM 245 N ASN A 17 0.890 -9.585 6.926 1.00 10.00 N ATOM 246 CA ASN A 17 1.290 -10.159 8.210 1.00 10.00 C ATOM 247 C ASN A 17 2.800 -10.022 8.365 1.00 10.00 C ATOM 248 O ASN A 17 3.290 -9.141 9.069 1.00 10.00 O ATOM 249 CB ASN A 17 0.815 -11.624 8.317 1.00 10.00 C ATOM 250 CG ASN A 17 -0.242 -11.824 9.400 1.00 10.00 C ATOM 251 OD1 ASN A 17 0.097 -12.016 10.563 1.00 10.00 O ATOM 252 ND2 ASN A 17 -1.519 -11.821 9.033 1.00 10.00 N ATOM 0 H ASN A 17 1.621 -9.584 6.215 1.00 10.00 H new ATOM 0 HA ASN A 17 0.816 -9.619 9.029 1.00 10.00 H new ATOM 0 HB2 ASN A 17 0.409 -11.941 7.356 1.00 10.00 H new ATOM 0 HB3 ASN A 17 1.671 -12.265 8.528 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -2.249 -11.981 9.727 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -1.769 -11.658 8.058 1.00 10.00 H new ATOM 259 N SER A 18 3.547 -10.887 7.677 1.00 10.00 N ATOM 260 CA SER A 18 5.002 -10.924 7.677 1.00 10.00 C ATOM 261 C SER A 18 5.462 -11.759 6.485 1.00 10.00 C ATOM 262 O SER A 18 6.201 -12.728 6.628 1.00 10.00 O ATOM 263 CB SER A 18 5.544 -11.441 9.019 1.00 10.00 C ATOM 264 OG SER A 18 5.507 -10.403 9.982 1.00 10.00 O ATOM 0 H SER A 18 3.135 -11.607 7.083 1.00 10.00 H new ATOM 0 HA SER A 18 5.407 -9.918 7.569 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.949 -12.288 9.360 1.00 10.00 H new ATOM 0 HB3 SER A 18 6.566 -11.799 8.895 1.00 10.00 H new ATOM 0 HG SER A 18 4.832 -9.741 9.724 1.00 10.00 H new ATOM 270 N LYS A 19 5.008 -11.356 5.297 1.00 10.00 N ATOM 271 CA LYS A 19 5.523 -11.821 4.024 1.00 10.00 C ATOM 272 C LYS A 19 5.610 -10.630 3.081 1.00 10.00 C ATOM 273 O LYS A 19 6.694 -10.292 2.614 1.00 10.00 O ATOM 274 CB LYS A 19 4.630 -12.926 3.452 1.00 10.00 C ATOM 275 CG LYS A 19 4.942 -14.272 4.120 1.00 10.00 C ATOM 276 CD LYS A 19 4.617 -15.474 3.216 1.00 10.00 C ATOM 277 CE LYS A 19 5.909 -16.182 2.767 1.00 10.00 C ATOM 278 NZ LYS A 19 5.656 -17.538 2.235 1.00 10.00 N ATOM 0 H LYS A 19 4.251 -10.679 5.200 1.00 10.00 H new ATOM 0 HA LYS A 19 6.516 -12.251 4.154 1.00 10.00 H new ATOM 0 HB2 LYS A 19 3.582 -12.671 3.608 1.00 10.00 H new ATOM 0 HB3 LYS A 19 4.783 -13.004 2.376 1.00 10.00 H new ATOM 0 HG2 LYS A 19 5.997 -14.302 4.392 1.00 10.00 H new ATOM 0 HG3 LYS A 19 4.372 -14.354 5.045 1.00 10.00 H new ATOM 0 HD2 LYS A 19 3.979 -16.177 3.752 1.00 10.00 H new ATOM 0 HD3 LYS A 19 4.058 -15.138 2.343 1.00 10.00 H new ATOM 0 HE2 LYS A 19 6.402 -15.581 2.002 1.00 10.00 H new ATOM 0 HE3 LYS A 19 6.595 -16.249 3.611 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 6.556 -17.971 1.947 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 5.210 -18.122 2.971 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 5.023 -17.476 1.412 1.00 10.00 H new ATOM 292 N SER A 20 4.473 -9.983 2.831 1.00 10.00 N ATOM 293 CA SER A 20 4.397 -8.856 1.927 1.00 10.00 C ATOM 294 C SER A 20 3.371 -7.861 2.463 1.00 10.00 C ATOM 295 O SER A 20 2.260 -8.260 2.783 1.00 10.00 O ATOM 296 CB SER A 20 4.108 -9.338 0.501 1.00 10.00 C ATOM 297 OG SER A 20 3.519 -10.626 0.511 1.00 10.00 O ATOM 0 H SER A 20 3.580 -10.233 3.255 1.00 10.00 H new ATOM 0 HA SER A 20 5.352 -8.334 1.873 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.442 -8.633 0.003 1.00 10.00 H new ATOM 0 HB3 SER A 20 5.034 -9.362 -0.073 1.00 10.00 H new ATOM 0 HG SER A 20 3.042 -10.774 -0.332 1.00 10.00 H new ATOM 303 N THR A 21 3.747 -6.591 2.613 1.00 10.00 N ATOM 304 CA THR A 21 2.819 -5.498 2.880 1.00 10.00 C ATOM 305 C THR A 21 2.270 -4.987 1.544 1.00 10.00 C ATOM 306 O THR A 21 2.861 -4.088 0.940 1.00 10.00 O ATOM 307 CB THR A 21 3.557 -4.392 3.648 1.00 10.00 C ATOM 308 OG1 THR A 21 4.171 -4.941 4.800 1.00 10.00 O ATOM 309 CG2 THR A 21 2.659 -3.239 4.092 1.00 10.00 C ATOM 0 H THR A 21 4.720 -6.291 2.551 1.00 10.00 H new ATOM 0 HA THR A 21 1.982 -5.834 3.492 1.00 10.00 H new ATOM 0 HB THR A 21 4.290 -3.985 2.951 1.00 10.00 H new ATOM 0 HG1 THR A 21 4.928 -5.502 4.531 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.254 -2.499 4.627 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.204 -2.774 3.217 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.877 -3.619 4.749 1.00 10.00 H new ATOM 317 N TRP A 22 1.163 -5.574 1.075 1.00 10.00 N ATOM 318 CA TRP A 22 0.400 -5.037 -0.049 1.00 10.00 C ATOM 319 C TRP A 22 -0.766 -4.229 0.507 1.00 10.00 C ATOM 320 O TRP A 22 -0.921 -4.162 1.720 1.00 10.00 O ATOM 321 CB TRP A 22 -0.110 -6.180 -0.927 1.00 10.00 C ATOM 322 CG TRP A 22 0.920 -6.901 -1.738 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.256 -6.807 -1.581 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.723 -7.763 -2.897 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.895 -7.527 -2.560 1.00 10.00 N ATOM 326 CE2 TRP A 22 2.001 -8.134 -3.412 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.407 -8.258 -3.577 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.151 -8.940 -4.548 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.271 -9.099 -4.694 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.003 -9.427 -5.192 1.00 10.00 C ATOM 0 H TRP A 22 0.775 -6.433 1.465 1.00 10.00 H new ATOM 0 HA TRP A 22 1.032 -4.396 -0.663 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.612 -6.906 -0.287 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.863 -5.780 -1.607 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.750 -6.248 -0.800 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.909 -7.603 -2.645 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.394 -7.986 -3.234 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.135 -9.183 -4.922 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.152 -9.497 -5.175 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.098 -10.052 -6.068 1.00 10.00 H new ATOM 341 N LEU A 23 -1.586 -3.622 -0.354 1.00 10.00 N ATOM 342 CA LEU A 23 -2.761 -2.842 0.018 1.00 10.00 C ATOM 343 C LEU A 23 -3.410 -2.308 -1.252 1.00 10.00 C ATOM 344 O LEU A 23 -2.801 -2.399 -2.319 1.00 10.00 O ATOM 345 CB LEU A 23 -2.426 -1.710 1.001 1.00 10.00 C ATOM 346 CG LEU A 23 -1.118 -0.960 0.703 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.304 0.063 -0.414 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.670 -0.239 1.970 1.00 10.00 C ATOM 0 H LEU A 23 -1.442 -3.664 -1.363 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.462 -3.490 0.545 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.247 -0.993 1.000 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.368 -2.127 2.006 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.369 -1.683 0.380 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.360 0.575 -0.599 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.625 -0.445 -1.323 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.060 0.791 -0.119 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.258 0.298 1.774 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.440 0.468 2.278 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.507 -0.967 2.765 1.00 10.00 H new ATOM 360 N ILE A 24 -4.629 -1.767 -1.134 1.00 10.00 N ATOM 361 CA ILE A 24 -5.356 -1.158 -2.243 1.00 10.00 C ATOM 362 C ILE A 24 -5.511 0.333 -1.967 1.00 10.00 C ATOM 363 O ILE A 24 -6.056 0.717 -0.927 1.00 10.00 O ATOM 364 CB ILE A 24 -6.721 -1.831 -2.443 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.517 -3.265 -2.951 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.571 -1.078 -3.481 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.600 -4.171 -2.356 1.00 10.00 C ATOM 0 H ILE A 24 -5.140 -1.742 -0.252 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.795 -1.297 -3.167 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.236 -1.824 -1.483 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.565 -3.288 -4.040 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.528 -3.626 -2.668 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.531 -1.581 -3.599 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.736 -0.055 -3.143 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.049 -1.064 -4.438 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.459 -5.191 -2.714 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.530 -4.156 -1.268 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.583 -3.812 -2.661 1.00 10.00 H new ATOM 379 N LEU A 25 -5.024 1.142 -2.913 1.00 10.00 N ATOM 380 CA LEU A 25 -5.093 2.595 -2.933 1.00 10.00 C ATOM 381 C LEU A 25 -5.733 2.970 -4.270 1.00 10.00 C ATOM 382 O LEU A 25 -5.057 2.984 -5.293 1.00 10.00 O ATOM 383 CB LEU A 25 -3.663 3.160 -2.830 1.00 10.00 C ATOM 384 CG LEU A 25 -3.175 3.713 -1.497 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.698 2.869 -0.365 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.646 3.814 -1.499 1.00 10.00 C ATOM 0 H LEU A 25 -4.543 0.771 -3.732 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.674 2.999 -2.104 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.976 2.368 -3.128 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.571 3.956 -3.569 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.563 4.721 -1.351 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.344 3.272 0.584 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.788 2.877 -0.378 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.342 1.845 -0.480 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.306 4.210 -0.542 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.216 2.825 -1.655 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.326 4.479 -2.301 1.00 10.00 H new ATOM 398 N HIS A 26 -7.038 3.249 -4.277 1.00 10.00 N ATOM 399 CA HIS A 26 -7.776 3.664 -5.471 1.00 10.00 C ATOM 400 C HIS A 26 -7.734 2.580 -6.549 1.00 10.00 C ATOM 401 O HIS A 26 -7.328 2.832 -7.683 1.00 10.00 O ATOM 402 CB HIS A 26 -7.267 5.000 -6.037 1.00 10.00 C ATOM 403 CG HIS A 26 -7.113 6.090 -5.018 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.072 7.003 -4.647 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.979 6.355 -4.303 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.520 7.803 -3.720 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.251 7.438 -3.469 1.00 10.00 N ATOM 0 H HIS A 26 -7.620 3.192 -3.441 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.811 3.812 -5.162 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.304 4.832 -6.519 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.956 5.338 -6.811 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.042 5.822 -4.372 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.027 8.628 -3.241 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.613 7.869 -2.800 1.00 10.00 H new ATOM 415 N TYR A 27 -8.153 1.366 -6.187 1.00 10.00 N ATOM 416 CA TYR A 27 -8.244 0.234 -7.103 1.00 10.00 C ATOM 417 C TYR A 27 -6.881 -0.133 -7.704 1.00 10.00 C ATOM 418 O TYR A 27 -6.821 -0.758 -8.761 1.00 10.00 O ATOM 419 CB TYR A 27 -9.288 0.514 -8.200 1.00 10.00 C ATOM 420 CG TYR A 27 -10.653 1.001 -7.740 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.188 0.609 -6.496 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.453 1.738 -8.634 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.495 0.978 -6.139 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.782 2.049 -8.300 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.286 1.715 -7.033 1.00 10.00 C ATOM 426 OH TYR A 27 -14.543 2.104 -6.682 1.00 10.00 O ATOM 0 H TYR A 27 -8.442 1.141 -5.235 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.573 -0.632 -6.529 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.874 1.258 -8.881 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.430 -0.401 -8.775 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.590 0.022 -5.814 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.044 2.065 -9.579 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.892 0.694 -5.175 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.417 2.546 -9.019 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.948 2.606 -7.420 1.00 10.00 H new ATOM 436 N LYS A 28 -5.787 0.233 -7.031 1.00 10.00 N ATOM 437 CA LYS A 28 -4.432 -0.034 -7.477 1.00 10.00 C ATOM 438 C LYS A 28 -3.658 -0.685 -6.345 1.00 10.00 C ATOM 439 O LYS A 28 -3.761 -0.237 -5.199 1.00 10.00 O ATOM 440 CB LYS A 28 -3.772 1.262 -7.946 1.00 10.00 C ATOM 441 CG LYS A 28 -4.353 1.652 -9.301 1.00 10.00 C ATOM 442 CD LYS A 28 -3.818 3.007 -9.755 1.00 10.00 C ATOM 443 CE LYS A 28 -4.099 3.128 -11.256 1.00 10.00 C ATOM 444 NZ LYS A 28 -3.526 4.361 -11.814 1.00 10.00 N ATOM 0 H LYS A 28 -5.828 0.733 -6.143 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.441 -0.719 -8.325 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.944 2.056 -7.220 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.693 1.129 -8.023 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.103 0.892 -10.041 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.441 1.689 -9.238 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.303 3.815 -9.207 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.749 3.084 -9.557 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.683 2.265 -11.776 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.175 3.116 -11.428 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.735 4.411 -12.832 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.941 5.185 -11.334 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -2.496 4.361 -11.671 1.00 10.00 H new ATOM 458 N VAL A 29 -2.926 -1.754 -6.677 1.00 10.00 N ATOM 459 CA VAL A 29 -2.138 -2.513 -5.726 1.00 10.00 C ATOM 460 C VAL A 29 -0.684 -2.040 -5.763 1.00 10.00 C ATOM 461 O VAL A 29 -0.095 -1.873 -6.836 1.00 10.00 O ATOM 462 CB VAL A 29 -2.255 -4.018 -6.007 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.775 -4.823 -4.793 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.706 -4.407 -6.287 1.00 10.00 C ATOM 0 H VAL A 29 -2.870 -2.114 -7.630 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.523 -2.341 -4.721 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.638 -4.239 -6.878 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -1.863 -5.889 -5.005 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.733 -4.580 -4.584 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.387 -4.574 -3.926 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.764 -5.478 -6.483 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.322 -4.163 -5.421 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.068 -3.859 -7.156 1.00 10.00 H new ATOM 474 N TYR A 30 -0.119 -1.834 -4.574 1.00 10.00 N ATOM 475 CA TYR A 30 1.233 -1.350 -4.360 1.00 10.00 C ATOM 476 C TYR A 30 1.915 -2.306 -3.389 1.00 10.00 C ATOM 477 O TYR A 30 1.418 -2.480 -2.277 1.00 10.00 O ATOM 478 CB TYR A 30 1.156 0.057 -3.754 1.00 10.00 C ATOM 479 CG TYR A 30 0.451 1.059 -4.645 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.152 1.716 -5.671 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.937 1.241 -4.527 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.479 2.617 -6.518 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.604 2.136 -5.379 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.893 2.850 -6.351 1.00 10.00 C ATOM 485 OH TYR A 30 -1.541 3.750 -7.144 1.00 10.00 O ATOM 0 H TYR A 30 -0.616 -2.009 -3.701 1.00 10.00 H new ATOM 0 HA TYR A 30 1.796 -1.304 -5.292 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.636 0.004 -2.797 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.166 0.412 -3.549 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.207 1.530 -5.810 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.492 0.692 -3.780 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.021 3.130 -7.298 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.671 2.274 -5.284 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.488 3.786 -6.893 1.00 10.00 H new ATOM 495 N ASP A 31 3.036 -2.913 -3.791 1.00 10.00 N ATOM 496 CA ASP A 31 3.909 -3.593 -2.841 1.00 10.00 C ATOM 497 C ASP A 31 4.850 -2.538 -2.272 1.00 10.00 C ATOM 498 O ASP A 31 5.539 -1.867 -3.038 1.00 10.00 O ATOM 499 CB ASP A 31 4.706 -4.723 -3.510 1.00 10.00 C ATOM 500 CG ASP A 31 5.567 -5.472 -2.493 1.00 10.00 C ATOM 501 OD1 ASP A 31 6.365 -4.805 -1.803 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.389 -6.705 -2.378 1.00 10.00 O ATOM 0 H ASP A 31 3.355 -2.945 -4.759 1.00 10.00 H new ATOM 0 HA ASP A 31 3.316 -4.059 -2.054 1.00 10.00 H new ATOM 0 HB2 ASP A 31 4.020 -5.419 -3.992 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.341 -4.309 -4.293 1.00 10.00 H new ATOM 507 N LEU A 32 4.858 -2.359 -0.948 1.00 10.00 N ATOM 508 CA LEU A 32 5.836 -1.533 -0.258 1.00 10.00 C ATOM 509 C LEU A 32 6.553 -2.372 0.798 1.00 10.00 C ATOM 510 O LEU A 32 7.035 -1.848 1.803 1.00 10.00 O ATOM 511 CB LEU A 32 5.133 -0.346 0.406 1.00 10.00 C ATOM 512 CG LEU A 32 4.170 0.408 -0.537 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.728 0.398 -0.012 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.700 1.823 -0.766 1.00 10.00 C ATOM 0 H LEU A 32 4.176 -2.791 -0.324 1.00 10.00 H new ATOM 0 HA LEU A 32 6.566 -1.156 -0.975 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.575 -0.703 1.272 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.885 0.350 0.776 1.00 10.00 H new ATOM 0 HG LEU A 32 4.133 -0.107 -1.497 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.084 0.939 -0.706 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.381 -0.631 0.078 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.693 0.879 0.966 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.025 2.361 -1.431 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.763 2.347 0.188 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.690 1.772 -1.218 1.00 10.00 H new ATOM 526 N THR A 33 6.602 -3.690 0.615 1.00 10.00 N ATOM 527 CA THR A 33 7.051 -4.583 1.663 1.00 10.00 C ATOM 528 C THR A 33 8.522 -4.372 1.968 1.00 10.00 C ATOM 529 O THR A 33 8.930 -4.401 3.126 1.00 10.00 O ATOM 530 CB THR A 33 6.737 -6.041 1.334 1.00 10.00 C ATOM 531 OG1 THR A 33 6.650 -6.678 2.594 1.00 10.00 O ATOM 532 CG2 THR A 33 7.760 -6.756 0.439 1.00 10.00 C ATOM 0 H THR A 33 6.335 -4.156 -0.252 1.00 10.00 H new ATOM 0 HA THR A 33 6.494 -4.339 2.568 1.00 10.00 H new ATOM 0 HB THR A 33 5.822 -6.085 0.743 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.205 -7.486 2.591 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.439 -7.784 0.269 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.834 -6.236 -0.516 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.734 -6.756 0.928 1.00 10.00 H new ATOM 540 N LYS A 34 9.307 -4.121 0.923 1.00 10.00 N ATOM 541 CA LYS A 34 10.708 -3.792 1.056 1.00 10.00 C ATOM 542 C LYS A 34 10.859 -2.278 1.230 1.00 10.00 C ATOM 543 O LYS A 34 11.883 -1.719 0.849 1.00 10.00 O ATOM 544 CB LYS A 34 11.438 -4.300 -0.191 1.00 10.00 C ATOM 545 CG LYS A 34 12.927 -4.511 0.102 1.00 10.00 C ATOM 546 CD LYS A 34 13.772 -4.247 -1.149 1.00 10.00 C ATOM 547 CE LYS A 34 14.944 -5.233 -1.224 1.00 10.00 C ATOM 548 NZ LYS A 34 15.970 -4.792 -2.191 1.00 10.00 N ATOM 0 H LYS A 34 8.979 -4.142 -0.042 1.00 10.00 H new ATOM 0 HA LYS A 34 11.145 -4.268 1.934 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.991 -5.237 -0.524 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.320 -3.584 -1.005 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.242 -3.845 0.906 1.00 10.00 H new ATOM 0 HG3 LYS A 34 13.093 -5.531 0.449 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.152 -4.342 -2.040 1.00 10.00 H new ATOM 0 HD3 LYS A 34 14.150 -3.225 -1.131 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.395 -5.337 -0.237 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.573 -6.217 -1.511 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 16.746 -5.484 -2.214 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.545 -4.717 -3.137 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 16.342 -3.864 -1.904 1.00 10.00 H new ATOM 562 N PHE A 35 9.832 -1.611 1.770 1.00 10.00 N ATOM 563 CA PHE A 35 9.816 -0.175 1.958 1.00 10.00 C ATOM 564 C PHE A 35 9.242 0.194 3.321 1.00 10.00 C ATOM 565 O PHE A 35 8.892 1.345 3.541 1.00 10.00 O ATOM 566 CB PHE A 35 8.996 0.471 0.840 1.00 10.00 C ATOM 567 CG PHE A 35 9.456 1.857 0.425 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.776 2.063 -0.020 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.548 2.935 0.436 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.190 3.340 -0.431 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.946 4.197 -0.038 1.00 10.00 C ATOM 572 CZ PHE A 35 10.271 4.403 -0.460 1.00 10.00 C ATOM 0 H PHE A 35 8.980 -2.071 2.090 1.00 10.00 H new ATOM 0 HA PHE A 35 10.840 0.196 1.920 1.00 10.00 H new ATOM 0 HB2 PHE A 35 9.023 -0.181 -0.033 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.956 0.531 1.161 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.471 1.237 -0.045 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.545 2.791 0.809 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.216 3.506 -0.725 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.234 5.008 -0.078 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.583 5.377 -0.806 1.00 10.00 H new ATOM 582 N LEU A 36 9.114 -0.762 4.242 1.00 10.00 N ATOM 583 CA LEU A 36 8.513 -0.496 5.538 1.00 10.00 C ATOM 584 C LEU A 36 9.374 0.488 6.331 1.00 10.00 C ATOM 585 O LEU A 36 8.937 1.602 6.604 1.00 10.00 O ATOM 586 CB LEU A 36 8.290 -1.822 6.275 1.00 10.00 C ATOM 587 CG LEU A 36 7.227 -2.681 5.574 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.242 -4.093 6.166 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.836 -2.044 5.697 1.00 10.00 C ATOM 0 H LEU A 36 9.420 -1.726 4.109 1.00 10.00 H new ATOM 0 HA LEU A 36 7.539 -0.022 5.412 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.229 -2.373 6.327 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.980 -1.622 7.301 1.00 10.00 H new ATOM 0 HG LEU A 36 7.462 -2.741 4.511 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.488 -4.704 5.669 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.225 -4.539 6.018 1.00 10.00 H new ATOM 0 HD13 LEU A 36 7.023 -4.043 7.233 1.00 10.00 H new ATOM 0 HD21 LEU A 36 5.102 -2.672 5.192 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.570 -1.950 6.750 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.846 -1.056 5.236 1.00 10.00 H new ATOM 601 N GLU A 37 10.608 0.099 6.662 1.00 10.00 N ATOM 602 CA GLU A 37 11.549 0.988 7.335 1.00 10.00 C ATOM 603 C GLU A 37 11.858 2.225 6.482 1.00 10.00 C ATOM 604 O GLU A 37 12.102 3.302 7.019 1.00 10.00 O ATOM 605 CB GLU A 37 12.836 0.240 7.708 1.00 10.00 C ATOM 606 CG GLU A 37 12.656 -0.650 8.945 1.00 10.00 C ATOM 607 CD GLU A 37 14.007 -1.071 9.511 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.723 -1.790 8.782 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.304 -0.652 10.650 1.00 10.00 O ATOM 0 H GLU A 37 10.977 -0.833 6.472 1.00 10.00 H new ATOM 0 HA GLU A 37 11.079 1.333 8.256 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.154 -0.374 6.865 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.631 0.961 7.895 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.090 -0.113 9.706 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.076 -1.534 8.681 1.00 10.00 H new ATOM 616 N GLU A 38 11.861 2.070 5.156 1.00 10.00 N ATOM 617 CA GLU A 38 12.152 3.160 4.240 1.00 10.00 C ATOM 618 C GLU A 38 11.042 4.215 4.272 1.00 10.00 C ATOM 619 O GLU A 38 11.328 5.407 4.190 1.00 10.00 O ATOM 620 CB GLU A 38 12.298 2.605 2.825 1.00 10.00 C ATOM 621 CG GLU A 38 13.444 1.588 2.673 1.00 10.00 C ATOM 622 CD GLU A 38 14.531 2.116 1.745 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.252 2.171 0.527 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.611 2.464 2.267 1.00 10.00 O ATOM 0 H GLU A 38 11.661 1.183 4.694 1.00 10.00 H new ATOM 0 HA GLU A 38 13.082 3.637 4.549 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.362 2.130 2.532 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.465 3.432 2.135 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.872 1.370 3.651 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.051 0.650 2.281 1.00 10.00 H new ATOM 631 N HIS A 39 9.776 3.783 4.331 1.00 10.00 N ATOM 632 CA HIS A 39 8.626 4.671 4.225 1.00 10.00 C ATOM 633 C HIS A 39 8.686 5.719 5.340 1.00 10.00 C ATOM 634 O HIS A 39 8.535 5.369 6.510 1.00 10.00 O ATOM 635 CB HIS A 39 7.312 3.880 4.283 1.00 10.00 C ATOM 636 CG HIS A 39 6.070 4.737 4.390 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.288 4.842 5.514 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.482 5.494 3.406 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.244 5.629 5.204 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.314 6.067 3.934 1.00 10.00 N ATOM 0 H HIS A 39 9.526 2.802 4.454 1.00 10.00 H new ATOM 0 HA HIS A 39 8.658 5.178 3.260 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.235 3.261 3.389 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.347 3.204 5.137 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.467 4.403 6.417 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.854 5.626 2.401 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.448 5.879 5.889 1.00 10.00 H new ATOM 648 N PRO A 40 8.859 7.006 5.003 1.00 10.00 N ATOM 649 CA PRO A 40 9.114 8.047 5.987 1.00 10.00 C ATOM 650 C PRO A 40 7.892 8.394 6.848 1.00 10.00 C ATOM 651 O PRO A 40 8.014 9.213 7.754 1.00 10.00 O ATOM 652 CB PRO A 40 9.625 9.246 5.182 1.00 10.00 C ATOM 653 CG PRO A 40 8.999 9.043 3.803 1.00 10.00 C ATOM 654 CD PRO A 40 8.948 7.530 3.650 1.00 10.00 C ATOM 0 HA PRO A 40 9.846 7.711 6.722 1.00 10.00 H new ATOM 0 HB2 PRO A 40 9.315 10.191 5.628 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.714 9.260 5.130 1.00 10.00 H new ATOM 0 HG2 PRO A 40 8.004 9.485 3.746 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.599 9.505 3.019 1.00 10.00 H new ATOM 0 HD2 PRO A 40 8.088 7.225 3.053 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.837 7.157 3.142 1.00 10.00 H new ATOM 662 N GLY A 41 6.725 7.788 6.592 1.00 10.00 N ATOM 663 CA GLY A 41 5.595 7.867 7.504 1.00 10.00 C ATOM 664 C GLY A 41 5.787 6.893 8.665 1.00 10.00 C ATOM 665 O GLY A 41 6.662 7.084 9.504 1.00 10.00 O ATOM 0 H GLY A 41 6.546 7.236 5.753 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.496 8.883 7.885 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.672 7.634 6.973 1.00 10.00 H new ATOM 669 N GLY A 42 4.970 5.836 8.714 1.00 10.00 N ATOM 670 CA GLY A 42 5.079 4.793 9.722 1.00 10.00 C ATOM 671 C GLY A 42 4.994 3.423 9.057 1.00 10.00 C ATOM 672 O GLY A 42 4.092 3.171 8.255 1.00 10.00 O ATOM 0 H GLY A 42 4.212 5.685 8.048 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.023 4.890 10.258 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.282 4.901 10.458 1.00 10.00 H new ATOM 676 N GLU A 43 5.931 2.536 9.392 1.00 10.00 N ATOM 677 CA GLU A 43 5.881 1.143 8.984 1.00 10.00 C ATOM 678 C GLU A 43 4.637 0.484 9.587 1.00 10.00 C ATOM 679 O GLU A 43 3.887 -0.189 8.884 1.00 10.00 O ATOM 680 CB GLU A 43 7.204 0.464 9.366 1.00 10.00 C ATOM 681 CG GLU A 43 7.531 0.382 10.866 1.00 10.00 C ATOM 682 CD GLU A 43 6.834 -0.782 11.563 1.00 10.00 C ATOM 683 OE1 GLU A 43 6.812 -1.882 10.970 1.00 10.00 O ATOM 684 OE2 GLU A 43 6.289 -0.522 12.655 1.00 10.00 O ATOM 0 H GLU A 43 6.747 2.770 9.957 1.00 10.00 H new ATOM 0 HA GLU A 43 5.783 1.042 7.903 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.195 -0.549 8.964 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.015 0.996 8.870 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.609 0.282 10.993 1.00 10.00 H new ATOM 0 HG3 GLU A 43 7.239 1.315 11.348 1.00 10.00 H new ATOM 691 N ALA A 44 4.382 0.744 10.875 1.00 10.00 N ATOM 692 CA ALA A 44 3.249 0.204 11.606 1.00 10.00 C ATOM 693 C ALA A 44 1.950 0.501 10.868 1.00 10.00 C ATOM 694 O ALA A 44 1.189 -0.416 10.575 1.00 10.00 O ATOM 695 CB ALA A 44 3.211 0.774 13.027 1.00 10.00 C ATOM 0 H ALA A 44 4.975 1.349 11.442 1.00 10.00 H new ATOM 0 HA ALA A 44 3.361 -0.878 11.675 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.357 0.360 13.562 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.130 0.509 13.550 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.120 1.859 12.981 1.00 10.00 H new ATOM 701 N VAL A 45 1.696 1.773 10.540 1.00 10.00 N ATOM 702 CA VAL A 45 0.503 2.129 9.784 1.00 10.00 C ATOM 703 C VAL A 45 0.510 1.422 8.425 1.00 10.00 C ATOM 704 O VAL A 45 -0.520 0.857 8.055 1.00 10.00 O ATOM 705 CB VAL A 45 0.273 3.652 9.720 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.374 4.412 8.984 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.089 3.984 9.099 1.00 10.00 C ATOM 0 H VAL A 45 2.296 2.560 10.785 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.374 1.762 10.317 1.00 10.00 H new ATOM 0 HB VAL A 45 0.295 3.988 10.757 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.141 5.477 8.981 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.327 4.250 9.488 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.441 4.052 7.957 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.221 5.066 9.068 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.134 3.584 8.086 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.881 3.539 9.701 1.00 10.00 H new ATOM 717 N LEU A 46 1.645 1.386 7.702 1.00 10.00 N ATOM 718 CA LEU A 46 1.710 0.605 6.475 1.00 10.00 C ATOM 719 C LEU A 46 1.233 -0.830 6.699 1.00 10.00 C ATOM 720 O LEU A 46 0.454 -1.349 5.905 1.00 10.00 O ATOM 721 CB LEU A 46 3.135 0.612 5.892 1.00 10.00 C ATOM 722 CG LEU A 46 3.140 1.270 4.511 1.00 10.00 C ATOM 723 CD1 LEU A 46 2.886 2.771 4.637 1.00 10.00 C ATOM 724 CD2 LEU A 46 4.447 0.993 3.763 1.00 10.00 C ATOM 0 H LEU A 46 2.504 1.879 7.946 1.00 10.00 H new ATOM 0 HA LEU A 46 1.039 1.074 5.755 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.806 1.150 6.561 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.510 -0.409 5.817 1.00 10.00 H new ATOM 0 HG LEU A 46 2.333 0.831 3.925 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.892 3.226 3.646 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.917 2.938 5.106 1.00 10.00 H new ATOM 0 HD13 LEU A 46 3.668 3.222 5.248 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.416 1.475 2.786 1.00 10.00 H new ATOM 0 HD22 LEU A 46 5.285 1.388 4.337 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.571 -0.082 3.633 1.00 10.00 H new ATOM 736 N ARG A 47 1.702 -1.469 7.772 1.00 10.00 N ATOM 737 CA ARG A 47 1.423 -2.865 8.058 1.00 10.00 C ATOM 738 C ARG A 47 -0.042 -3.043 8.456 1.00 10.00 C ATOM 739 O ARG A 47 -0.694 -3.989 8.026 1.00 10.00 O ATOM 740 CB ARG A 47 2.386 -3.369 9.142 1.00 10.00 C ATOM 741 CG ARG A 47 2.342 -4.900 9.272 1.00 10.00 C ATOM 742 CD ARG A 47 3.047 -5.618 8.104 1.00 10.00 C ATOM 743 NE ARG A 47 4.315 -6.224 8.536 1.00 10.00 N ATOM 744 CZ ARG A 47 5.184 -6.877 7.749 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.040 -6.883 6.416 1.00 10.00 N ATOM 746 NH2 ARG A 47 6.213 -7.525 8.308 1.00 10.00 N ATOM 0 H ARG A 47 2.293 -1.020 8.472 1.00 10.00 H new ATOM 0 HA ARG A 47 1.585 -3.466 7.163 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.401 -3.053 8.903 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.128 -2.915 10.099 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.812 -5.194 10.210 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.303 -5.227 9.320 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.392 -6.390 7.700 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.237 -4.908 7.299 1.00 10.00 H new ATOM 0 HE ARG A 47 4.556 -6.141 9.524 1.00 10.00 H new ATOM 0 HH11 ARG A 47 4.261 -6.386 5.985 1.00 10.00 H new ATOM 0 HH12 ARG A 47 5.710 -7.385 5.833 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.330 -7.519 9.321 1.00 10.00 H new ATOM 0 HH22 ARG A 47 6.880 -8.025 7.721 1.00 10.00 H new ATOM 760 N ALA A 48 -0.556 -2.131 9.277 1.00 10.00 N ATOM 761 CA ALA A 48 -1.916 -2.158 9.782 1.00 10.00 C ATOM 762 C ALA A 48 -2.915 -2.042 8.633 1.00 10.00 C ATOM 763 O ALA A 48 -3.841 -2.842 8.527 1.00 10.00 O ATOM 764 CB ALA A 48 -2.078 -1.014 10.782 1.00 10.00 C ATOM 0 H ALA A 48 -0.019 -1.333 9.616 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.115 -3.105 10.283 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.095 -1.015 11.175 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.372 -1.145 11.602 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.883 -0.065 10.283 1.00 10.00 H new ATOM 770 N GLN A 49 -2.711 -1.054 7.760 1.00 10.00 N ATOM 771 CA GLN A 49 -3.549 -0.839 6.596 1.00 10.00 C ATOM 772 C GLN A 49 -3.272 -1.878 5.501 1.00 10.00 C ATOM 773 O GLN A 49 -4.021 -1.957 4.526 1.00 10.00 O ATOM 774 CB GLN A 49 -3.298 0.589 6.102 1.00 10.00 C ATOM 775 CG GLN A 49 -4.263 1.616 6.708 1.00 10.00 C ATOM 776 CD GLN A 49 -4.226 1.793 8.228 1.00 10.00 C ATOM 777 OE1 GLN A 49 -4.388 0.853 8.996 1.00 10.00 O ATOM 778 NE2 GLN A 49 -4.076 3.030 8.693 1.00 10.00 N ATOM 0 H GLN A 49 -1.951 -0.379 7.848 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.599 -0.961 6.862 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.274 0.875 6.343 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.388 0.612 5.016 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.059 2.584 6.249 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -5.277 1.336 6.424 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -3.942 3.806 8.045 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -4.095 3.203 9.698 1.00 10.00 H new ATOM 787 N ALA A 50 -2.189 -2.650 5.628 1.00 10.00 N ATOM 788 CA ALA A 50 -1.820 -3.648 4.637 1.00 10.00 C ATOM 789 C ALA A 50 -2.932 -4.665 4.407 1.00 10.00 C ATOM 790 O ALA A 50 -3.626 -5.057 5.343 1.00 10.00 O ATOM 791 CB ALA A 50 -0.548 -4.391 5.037 1.00 10.00 C ATOM 0 H ALA A 50 -1.549 -2.596 6.421 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.645 -3.101 3.710 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.302 -5.129 4.273 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.273 -3.681 5.133 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.705 -4.895 5.991 1.00 10.00 H new ATOM 797 N GLY A 51 -3.053 -5.132 3.163 1.00 10.00 N ATOM 798 CA GLY A 51 -4.045 -6.096 2.731 1.00 10.00 C ATOM 799 C GLY A 51 -5.402 -5.717 3.294 1.00 10.00 C ATOM 800 O GLY A 51 -6.007 -6.486 4.040 1.00 10.00 O ATOM 0 H GLY A 51 -2.436 -4.833 2.407 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.087 -6.126 1.642 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.767 -7.095 3.067 1.00 10.00 H new ATOM 804 N GLY A 52 -5.835 -4.511 2.927 1.00 10.00 N ATOM 805 CA GLY A 52 -7.130 -3.949 3.232 1.00 10.00 C ATOM 806 C GLY A 52 -7.332 -2.763 2.294 1.00 10.00 C ATOM 807 O GLY A 52 -6.407 -2.376 1.567 1.00 10.00 O ATOM 0 H GLY A 52 -5.254 -3.875 2.381 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.916 -4.691 3.091 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.177 -3.630 4.273 1.00 10.00 H new ATOM 811 N ASP A 53 -8.532 -2.187 2.312 1.00 10.00 N ATOM 812 CA ASP A 53 -8.797 -0.881 1.748 1.00 10.00 C ATOM 813 C ASP A 53 -7.996 0.133 2.558 1.00 10.00 C ATOM 814 O ASP A 53 -8.330 0.439 3.698 1.00 10.00 O ATOM 815 CB ASP A 53 -10.306 -0.585 1.791 1.00 10.00 C ATOM 816 CG ASP A 53 -10.918 -0.724 3.183 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.719 -1.813 3.771 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.594 0.238 3.607 1.00 10.00 O ATOM 0 H ASP A 53 -9.354 -2.627 2.726 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.496 -0.831 0.701 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.479 0.428 1.427 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.820 -1.262 1.108 1.00 10.00 H new ATOM 823 N ALA A 54 -6.915 0.651 1.973 1.00 10.00 N ATOM 824 CA ALA A 54 -6.129 1.695 2.610 1.00 10.00 C ATOM 825 C ALA A 54 -6.357 3.026 1.913 1.00 10.00 C ATOM 826 O ALA A 54 -5.729 4.007 2.285 1.00 10.00 O ATOM 827 CB ALA A 54 -4.652 1.323 2.589 1.00 10.00 C ATOM 0 H ALA A 54 -6.568 0.361 1.059 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.447 1.794 3.648 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.071 2.111 3.068 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.505 0.386 3.126 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.321 1.205 1.557 1.00 10.00 H new ATOM 833 N THR A 55 -7.220 3.074 0.895 1.00 10.00 N ATOM 834 CA THR A 55 -7.429 4.257 0.080 1.00 10.00 C ATOM 835 C THR A 55 -7.782 5.445 0.976 1.00 10.00 C ATOM 836 O THR A 55 -7.098 6.467 0.966 1.00 10.00 O ATOM 837 CB THR A 55 -8.502 3.962 -0.982 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.216 2.770 -1.693 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.514 5.085 -2.012 1.00 10.00 C ATOM 0 H THR A 55 -7.796 2.280 0.616 1.00 10.00 H new ATOM 0 HA THR A 55 -6.516 4.525 -0.452 1.00 10.00 H new ATOM 0 HB THR A 55 -9.455 3.868 -0.461 1.00 10.00 H new ATOM 0 HG1 THR A 55 -8.989 2.524 -2.243 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.273 4.879 -2.766 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.740 6.030 -1.518 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.537 5.151 -2.490 1.00 10.00 H new ATOM 847 N ALA A 56 -8.823 5.280 1.796 1.00 10.00 N ATOM 848 CA ALA A 56 -9.259 6.307 2.725 1.00 10.00 C ATOM 849 C ALA A 56 -8.113 6.721 3.648 1.00 10.00 C ATOM 850 O ALA A 56 -7.857 7.907 3.824 1.00 10.00 O ATOM 851 CB ALA A 56 -10.458 5.789 3.527 1.00 10.00 C ATOM 0 H ALA A 56 -9.383 4.428 1.829 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.565 7.193 2.168 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.788 6.558 4.226 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.273 5.544 2.846 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.167 4.896 4.081 1.00 10.00 H new ATOM 857 N ASN A 57 -7.425 5.747 4.245 1.00 10.00 N ATOM 858 CA ASN A 57 -6.418 6.005 5.269 1.00 10.00 C ATOM 859 C ASN A 57 -5.220 6.742 4.668 1.00 10.00 C ATOM 860 O ASN A 57 -4.708 7.694 5.249 1.00 10.00 O ATOM 861 CB ASN A 57 -5.978 4.689 5.922 1.00 10.00 C ATOM 862 CG ASN A 57 -7.164 3.856 6.392 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.864 3.279 5.567 1.00 10.00 O ATOM 864 ND2 ASN A 57 -7.406 3.786 7.697 1.00 10.00 N ATOM 0 H ASN A 57 -7.552 4.758 4.031 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.855 6.641 6.038 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.389 4.111 5.210 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -5.329 4.905 6.771 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -8.195 3.239 8.041 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -6.802 4.279 8.355 1.00 10.00 H new ATOM 871 N PHE A 58 -4.772 6.291 3.498 1.00 10.00 N ATOM 872 CA PHE A 58 -3.758 6.950 2.692 1.00 10.00 C ATOM 873 C PHE A 58 -4.149 8.408 2.446 1.00 10.00 C ATOM 874 O PHE A 58 -3.425 9.323 2.839 1.00 10.00 O ATOM 875 CB PHE A 58 -3.606 6.175 1.379 1.00 10.00 C ATOM 876 CG PHE A 58 -2.676 6.808 0.367 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.294 6.841 0.616 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.180 7.331 -0.839 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.409 7.309 -0.371 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.298 7.820 -1.816 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.910 7.792 -1.591 1.00 10.00 C ATOM 0 H PHE A 58 -5.118 5.430 3.076 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.800 6.957 3.212 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.243 5.173 1.606 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.590 6.063 0.925 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.910 6.506 1.568 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.246 7.356 -1.013 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.656 7.297 -0.191 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.686 8.218 -2.742 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.231 8.141 -2.355 1.00 10.00 H new ATOM 891 N GLU A 59 -5.311 8.625 1.826 1.00 10.00 N ATOM 892 CA GLU A 59 -5.783 9.963 1.497 1.00 10.00 C ATOM 893 C GLU A 59 -5.935 10.826 2.752 1.00 10.00 C ATOM 894 O GLU A 59 -5.690 12.030 2.708 1.00 10.00 O ATOM 895 CB GLU A 59 -7.119 9.855 0.762 1.00 10.00 C ATOM 896 CG GLU A 59 -6.959 9.232 -0.629 1.00 10.00 C ATOM 897 CD GLU A 59 -6.425 10.242 -1.639 1.00 10.00 C ATOM 898 OE1 GLU A 59 -5.184 10.339 -1.760 1.00 10.00 O ATOM 899 OE2 GLU A 59 -7.277 10.910 -2.263 1.00 10.00 O ATOM 0 H GLU A 59 -5.945 7.879 1.541 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.046 10.446 0.856 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.810 9.253 1.352 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.562 10.846 0.667 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -6.280 8.381 -0.571 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.921 8.850 -0.970 1.00 10.00 H new ATOM 906 N ALA A 60 -6.335 10.215 3.874 1.00 10.00 N ATOM 907 CA ALA A 60 -6.469 10.894 5.156 1.00 10.00 C ATOM 908 C ALA A 60 -5.199 11.675 5.504 1.00 10.00 C ATOM 909 O ALA A 60 -5.288 12.743 6.106 1.00 10.00 O ATOM 910 CB ALA A 60 -6.823 9.900 6.269 1.00 10.00 C ATOM 0 H ALA A 60 -6.576 9.225 3.911 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.287 11.609 5.069 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -6.917 10.432 7.216 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.768 9.410 6.032 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.036 9.150 6.351 1.00 10.00 H new ATOM 916 N VAL A 61 -4.027 11.160 5.114 1.00 10.00 N ATOM 917 CA VAL A 61 -2.760 11.867 5.230 1.00 10.00 C ATOM 918 C VAL A 61 -2.283 12.230 3.818 1.00 10.00 C ATOM 919 O VAL A 61 -1.359 11.629 3.280 1.00 10.00 O ATOM 920 CB VAL A 61 -1.766 11.065 6.098 1.00 10.00 C ATOM 921 CG1 VAL A 61 -2.367 10.820 7.490 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.342 9.716 5.509 1.00 10.00 C ATOM 0 H VAL A 61 -3.938 10.230 4.705 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.863 12.810 5.767 1.00 10.00 H new ATOM 0 HB VAL A 61 -0.868 11.682 6.146 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -1.660 10.254 8.097 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -2.573 11.776 7.971 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -3.294 10.256 7.392 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.644 9.226 6.188 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.221 9.085 5.374 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -0.859 9.876 4.545 1.00 10.00 H new ATOM 932 N GLY A 62 -2.954 13.214 3.207 1.00 10.00 N ATOM 933 CA GLY A 62 -2.702 13.706 1.856 1.00 10.00 C ATOM 934 C GLY A 62 -1.212 13.792 1.507 1.00 10.00 C ATOM 935 O GLY A 62 -0.501 14.662 2.008 1.00 10.00 O ATOM 0 H GLY A 62 -3.720 13.708 3.665 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.198 13.050 1.140 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -3.150 14.694 1.747 1.00 10.00 H new ATOM 939 N HIS A 63 -0.748 12.884 0.645 1.00 10.00 N ATOM 940 CA HIS A 63 0.650 12.751 0.261 1.00 10.00 C ATOM 941 C HIS A 63 1.032 13.745 -0.857 1.00 10.00 C ATOM 942 O HIS A 63 0.166 14.332 -1.508 1.00 10.00 O ATOM 943 CB HIS A 63 0.884 11.302 -0.183 1.00 10.00 C ATOM 944 CG HIS A 63 0.976 10.261 0.914 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.009 9.853 1.788 1.00 10.00 N ATOM 946 CD2 HIS A 63 2.066 9.469 1.148 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.494 8.845 2.528 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.765 8.579 2.185 1.00 10.00 N ATOM 0 H HIS A 63 -1.355 12.205 0.185 1.00 10.00 H new ATOM 0 HA HIS A 63 1.287 12.989 1.113 1.00 10.00 H new ATOM 0 HB2 HIS A 63 0.075 11.017 -0.855 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.807 11.268 -0.762 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -0.948 10.243 1.861 1.00 10.00 H new ATOM 0 HD2 HIS A 63 3.006 9.522 0.619 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.054 8.320 3.297 1.00 10.00 H new ATOM 956 N SER A 64 2.338 13.932 -1.091 1.00 10.00 N ATOM 957 CA SER A 64 2.876 14.880 -2.066 1.00 10.00 C ATOM 958 C SER A 64 2.823 14.337 -3.501 1.00 10.00 C ATOM 959 O SER A 64 2.546 13.160 -3.732 1.00 10.00 O ATOM 960 CB SER A 64 4.330 15.194 -1.686 1.00 10.00 C ATOM 961 OG SER A 64 5.119 14.024 -1.824 1.00 10.00 O ATOM 0 H SER A 64 3.063 13.415 -0.594 1.00 10.00 H new ATOM 0 HA SER A 64 2.261 15.780 -2.043 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.721 15.986 -2.325 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.378 15.559 -0.660 1.00 10.00 H new ATOM 0 HG SER A 64 6.047 14.225 -1.583 1.00 10.00 H new ATOM 967 N THR A 65 3.151 15.186 -4.482 1.00 10.00 N ATOM 968 CA THR A 65 3.376 14.783 -5.864 1.00 10.00 C ATOM 969 C THR A 65 4.410 13.661 -5.939 1.00 10.00 C ATOM 970 O THR A 65 4.174 12.635 -6.573 1.00 10.00 O ATOM 971 CB THR A 65 3.851 16.004 -6.663 1.00 10.00 C ATOM 972 OG1 THR A 65 3.194 17.159 -6.171 1.00 10.00 O ATOM 973 CG2 THR A 65 3.565 15.831 -8.156 1.00 10.00 C ATOM 0 H THR A 65 3.268 16.188 -4.329 1.00 10.00 H new ATOM 0 HA THR A 65 2.445 14.405 -6.288 1.00 10.00 H new ATOM 0 HB THR A 65 4.929 16.109 -6.542 1.00 10.00 H new ATOM 0 HG1 THR A 65 3.493 17.945 -6.675 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.912 16.711 -8.697 1.00 10.00 H new ATOM 0 HG22 THR A 65 4.086 14.948 -8.526 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.493 15.710 -8.309 1.00 10.00 H new ATOM 981 N ASP A 66 5.550 13.865 -5.273 1.00 10.00 N ATOM 982 CA ASP A 66 6.651 12.915 -5.257 1.00 10.00 C ATOM 983 C ASP A 66 6.130 11.546 -4.839 1.00 10.00 C ATOM 984 O ASP A 66 6.371 10.551 -5.508 1.00 10.00 O ATOM 985 CB ASP A 66 7.742 13.409 -4.294 1.00 10.00 C ATOM 986 CG ASP A 66 9.123 13.125 -4.860 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.598 13.992 -5.623 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.666 12.054 -4.520 1.00 10.00 O ATOM 0 H ASP A 66 5.730 14.706 -4.725 1.00 10.00 H new ATOM 0 HA ASP A 66 7.086 12.830 -6.253 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.626 14.479 -4.123 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.631 12.918 -3.327 1.00 10.00 H new ATOM 993 N ALA A 67 5.332 11.514 -3.770 1.00 10.00 N ATOM 994 CA ALA A 67 4.674 10.301 -3.319 1.00 10.00 C ATOM 995 C ALA A 67 3.715 9.767 -4.382 1.00 10.00 C ATOM 996 O ALA A 67 3.777 8.585 -4.704 1.00 10.00 O ATOM 997 CB ALA A 67 3.950 10.554 -2.003 1.00 10.00 C ATOM 0 H ALA A 67 5.128 12.333 -3.197 1.00 10.00 H new ATOM 0 HA ALA A 67 5.434 9.538 -3.152 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.460 9.637 -1.675 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.669 10.872 -1.248 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.202 11.334 -2.143 1.00 10.00 H new ATOM 1003 N ARG A 68 2.829 10.607 -4.927 1.00 10.00 N ATOM 1004 CA ARG A 68 1.865 10.199 -5.951 1.00 10.00 C ATOM 1005 C ARG A 68 2.580 9.506 -7.119 1.00 10.00 C ATOM 1006 O ARG A 68 2.071 8.523 -7.661 1.00 10.00 O ATOM 1007 CB ARG A 68 1.016 11.408 -6.401 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.054 11.741 -5.344 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.476 13.219 -5.295 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.407 13.607 -6.370 1.00 10.00 N ATOM 1011 CZ ARG A 68 -1.891 14.853 -6.524 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -1.410 15.851 -5.772 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -2.855 15.104 -7.419 1.00 10.00 N ATOM 0 H ARG A 68 2.761 11.591 -4.669 1.00 10.00 H new ATOM 0 HA ARG A 68 1.176 9.468 -5.528 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.660 12.273 -6.560 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.537 11.188 -7.355 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.937 11.132 -5.537 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.323 11.453 -4.363 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.943 13.422 -4.331 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.415 13.844 -5.355 1.00 10.00 H new ATOM 0 HE ARG A 68 -1.701 12.891 -7.034 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -0.679 15.665 -5.085 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -1.774 16.797 -5.886 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -3.229 14.347 -7.991 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -3.215 16.052 -7.528 1.00 10.00 H new ATOM 1027 N GLU A 69 3.774 9.986 -7.471 1.00 10.00 N ATOM 1028 CA GLU A 69 4.574 9.425 -8.550 1.00 10.00 C ATOM 1029 C GLU A 69 5.287 8.150 -8.086 1.00 10.00 C ATOM 1030 O GLU A 69 5.238 7.105 -8.738 1.00 10.00 O ATOM 1031 CB GLU A 69 5.529 10.518 -9.040 1.00 10.00 C ATOM 1032 CG GLU A 69 4.883 11.342 -10.166 1.00 10.00 C ATOM 1033 CD GLU A 69 4.994 10.674 -11.537 1.00 10.00 C ATOM 1034 OE1 GLU A 69 4.357 9.613 -11.720 1.00 10.00 O ATOM 1035 OE2 GLU A 69 5.701 11.252 -12.390 1.00 10.00 O ATOM 0 H GLU A 69 4.213 10.782 -7.008 1.00 10.00 H new ATOM 0 HA GLU A 69 3.950 9.116 -9.388 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.795 11.173 -8.211 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.454 10.066 -9.399 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.831 11.504 -9.932 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.356 12.323 -10.207 1.00 10.00 H new ATOM 1042 N LEU A 70 5.925 8.221 -6.920 1.00 10.00 N ATOM 1043 CA LEU A 70 6.628 7.117 -6.290 1.00 10.00 C ATOM 1044 C LEU A 70 5.718 5.889 -6.241 1.00 10.00 C ATOM 1045 O LEU A 70 6.062 4.830 -6.763 1.00 10.00 O ATOM 1046 CB LEU A 70 7.132 7.579 -4.918 1.00 10.00 C ATOM 1047 CG LEU A 70 7.941 6.615 -4.039 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.370 5.333 -4.728 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.130 7.325 -3.388 1.00 10.00 C ATOM 0 H LEU A 70 5.965 9.081 -6.373 1.00 10.00 H new ATOM 0 HA LEU A 70 7.503 6.816 -6.866 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.746 8.466 -5.078 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.262 7.893 -4.341 1.00 10.00 H new ATOM 0 HG LEU A 70 7.250 6.295 -3.259 1.00 10.00 H new ATOM 0 HD11 LEU A 70 8.935 4.716 -4.029 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.488 4.787 -5.063 1.00 10.00 H new ATOM 0 HD13 LEU A 70 8.996 5.574 -5.588 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.684 6.617 -2.772 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.786 7.722 -4.163 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.769 8.143 -2.765 1.00 10.00 H new ATOM 1061 N SER A 71 4.528 6.048 -5.664 1.00 10.00 N ATOM 1062 CA SER A 71 3.492 5.027 -5.651 1.00 10.00 C ATOM 1063 C SER A 71 3.374 4.363 -7.027 1.00 10.00 C ATOM 1064 O SER A 71 3.493 3.148 -7.121 1.00 10.00 O ATOM 1065 CB SER A 71 2.140 5.648 -5.275 1.00 10.00 C ATOM 1066 OG SER A 71 2.241 6.437 -4.111 1.00 10.00 O ATOM 0 H SER A 71 4.256 6.907 -5.185 1.00 10.00 H new ATOM 0 HA SER A 71 3.767 4.275 -4.912 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.777 6.260 -6.101 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.406 4.857 -5.118 1.00 10.00 H new ATOM 0 HG SER A 71 2.656 7.296 -4.333 1.00 10.00 H new ATOM 1072 N LYS A 72 3.170 5.126 -8.110 1.00 10.00 N ATOM 1073 CA LYS A 72 3.085 4.534 -9.444 1.00 10.00 C ATOM 1074 C LYS A 72 4.340 3.719 -9.781 1.00 10.00 C ATOM 1075 O LYS A 72 4.240 2.621 -10.318 1.00 10.00 O ATOM 1076 CB LYS A 72 2.873 5.597 -10.529 1.00 10.00 C ATOM 1077 CG LYS A 72 1.426 6.086 -10.644 1.00 10.00 C ATOM 1078 CD LYS A 72 1.239 6.592 -12.082 1.00 10.00 C ATOM 1079 CE LYS A 72 -0.188 7.071 -12.362 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.397 7.298 -13.809 1.00 10.00 N ATOM 0 H LYS A 72 3.063 6.140 -8.086 1.00 10.00 H new ATOM 0 HA LYS A 72 2.221 3.870 -9.427 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.519 6.450 -10.320 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.186 5.189 -11.490 1.00 10.00 H new ATOM 0 HG2 LYS A 72 0.727 5.279 -10.425 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.229 6.882 -9.926 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.935 7.410 -12.268 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.493 5.793 -12.779 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.901 6.331 -12.000 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.380 7.994 -11.814 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.372 7.622 -13.972 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.270 8.021 -14.147 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.236 6.410 -14.326 1.00 10.00 H new ATOM 1094 N THR A 73 5.520 4.233 -9.442 1.00 10.00 N ATOM 1095 CA THR A 73 6.783 3.510 -9.576 1.00 10.00 C ATOM 1096 C THR A 73 6.774 2.185 -8.793 1.00 10.00 C ATOM 1097 O THR A 73 7.497 1.255 -9.143 1.00 10.00 O ATOM 1098 CB THR A 73 7.956 4.463 -9.246 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.394 5.076 -10.442 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.165 3.833 -8.547 1.00 10.00 C ATOM 0 H THR A 73 5.628 5.174 -9.062 1.00 10.00 H new ATOM 0 HA THR A 73 6.925 3.193 -10.609 1.00 10.00 H new ATOM 0 HB THR A 73 7.549 5.172 -8.525 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.137 5.684 -10.245 1.00 10.00 H new ATOM 0 HG21 THR A 73 9.921 4.598 -8.368 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.852 3.402 -7.596 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.584 3.050 -9.179 1.00 10.00 H new ATOM 1108 N PHE A 74 5.935 2.077 -7.762 1.00 10.00 N ATOM 1109 CA PHE A 74 5.722 0.870 -6.966 1.00 10.00 C ATOM 1110 C PHE A 74 4.474 0.100 -7.388 1.00 10.00 C ATOM 1111 O PHE A 74 4.145 -0.909 -6.762 1.00 10.00 O ATOM 1112 CB PHE A 74 5.562 1.259 -5.496 1.00 10.00 C ATOM 1113 CG PHE A 74 6.837 1.365 -4.706 1.00 10.00 C ATOM 1114 CD1 PHE A 74 8.047 1.777 -5.289 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.786 1.066 -3.342 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.182 1.964 -4.487 1.00 10.00 C ATOM 1117 CE2 PHE A 74 7.909 1.269 -2.542 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.112 1.712 -3.108 1.00 10.00 C ATOM 0 H PHE A 74 5.363 2.860 -7.447 1.00 10.00 H new ATOM 0 HA PHE A 74 6.589 0.228 -7.122 1.00 10.00 H new ATOM 0 HB2 PHE A 74 5.045 2.218 -5.447 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.917 0.525 -5.013 1.00 10.00 H new ATOM 0 HD1 PHE A 74 8.103 1.950 -6.354 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.877 0.678 -2.908 1.00 10.00 H new ATOM 0 HE1 PHE A 74 10.108 2.301 -4.929 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.852 1.084 -1.480 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.982 1.859 -2.485 1.00 10.00 H new ATOM 1128 N ILE A 75 3.737 0.569 -8.394 1.00 10.00 N ATOM 1129 CA ILE A 75 2.534 -0.136 -8.797 1.00 10.00 C ATOM 1130 C ILE A 75 2.921 -1.548 -9.242 1.00 10.00 C ATOM 1131 O ILE A 75 3.811 -1.718 -10.073 1.00 10.00 O ATOM 1132 CB ILE A 75 1.771 0.670 -9.859 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.277 0.544 -9.569 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.137 0.279 -11.295 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.567 1.219 -10.638 1.00 10.00 C ATOM 0 H ILE A 75 3.948 1.411 -8.929 1.00 10.00 H new ATOM 0 HA ILE A 75 1.841 -0.240 -7.962 1.00 10.00 H new ATOM 0 HB ILE A 75 2.066 1.717 -9.791 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.007 -0.510 -9.505 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.057 0.988 -8.598 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.563 0.886 -11.995 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.202 0.447 -11.458 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.907 -0.774 -11.455 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.623 1.106 -10.393 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.317 2.279 -10.684 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.367 0.757 -11.605 1.00 10.00 H new ATOM 1147 N ILE A 76 2.272 -2.565 -8.677 1.00 10.00 N ATOM 1148 CA ILE A 76 2.506 -3.948 -9.077 1.00 10.00 C ATOM 1149 C ILE A 76 1.419 -4.405 -10.050 1.00 10.00 C ATOM 1150 O ILE A 76 1.596 -5.381 -10.773 1.00 10.00 O ATOM 1151 CB ILE A 76 2.635 -4.850 -7.842 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.500 -4.601 -6.838 1.00 10.00 C ATOM 1153 CG2 ILE A 76 4.001 -4.602 -7.181 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.405 -5.718 -5.800 1.00 10.00 C ATOM 0 H ILE A 76 1.578 -2.454 -7.938 1.00 10.00 H new ATOM 0 HA ILE A 76 3.454 -4.022 -9.610 1.00 10.00 H new ATOM 0 HB ILE A 76 2.561 -5.890 -8.160 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.664 -3.649 -6.333 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.553 -4.520 -7.372 1.00 10.00 H new ATOM 0 HG21 ILE A 76 4.101 -5.239 -6.302 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.796 -4.834 -7.890 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.076 -3.557 -6.882 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.590 -5.504 -5.109 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.215 -6.666 -6.302 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.342 -5.782 -5.247 1.00 10.00 H new ATOM 1166 N GLY A 77 0.296 -3.686 -10.090 1.00 10.00 N ATOM 1167 CA GLY A 77 -0.825 -3.993 -10.946 1.00 10.00 C ATOM 1168 C GLY A 77 -2.023 -3.223 -10.433 1.00 10.00 C ATOM 1169 O GLY A 77 -1.874 -2.215 -9.740 1.00 10.00 O ATOM 0 H GLY A 77 0.149 -2.859 -9.512 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.606 -3.716 -11.977 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.028 -5.064 -10.940 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.206 -3.726 -10.758 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.462 -3.100 -10.421 1.00 10.00 C ATOM 1175 C GLU A 78 -5.330 -4.056 -9.611 1.00 10.00 C ATOM 1176 O GLU A 78 -5.023 -5.234 -9.428 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.157 -2.606 -11.698 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.044 -1.087 -11.861 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.931 -0.576 -12.988 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -7.157 -0.501 -12.755 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.362 -0.256 -14.053 1.00 10.00 O ATOM 0 H GLU A 78 -3.314 -4.599 -11.274 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.283 -2.228 -9.792 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.715 -3.098 -12.565 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.209 -2.891 -11.672 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.324 -0.599 -10.927 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.007 -0.818 -12.063 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.427 -3.518 -9.103 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.435 -4.288 -8.412 1.00 10.00 C ATOM 1190 C LEU A 79 -8.263 -5.062 -9.443 1.00 10.00 C ATOM 1191 O LEU A 79 -8.695 -4.501 -10.457 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.286 -3.297 -7.625 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.501 -3.942 -6.960 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.116 -4.682 -5.671 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.552 -2.858 -6.723 1.00 10.00 C ATOM 0 H LEU A 79 -6.640 -2.522 -9.162 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.003 -5.018 -7.728 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.669 -2.825 -6.860 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.624 -2.506 -8.295 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.921 -4.704 -7.616 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.006 -5.127 -5.227 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.395 -5.466 -5.903 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.672 -3.979 -4.966 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.429 -3.299 -6.248 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.138 -2.086 -6.075 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.840 -2.416 -7.677 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.506 -6.347 -9.169 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.310 -7.212 -10.023 1.00 10.00 C ATOM 1209 C HIS A 80 -10.661 -6.571 -10.352 1.00 10.00 C ATOM 1210 O HIS A 80 -11.294 -5.965 -9.488 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.486 -8.569 -9.336 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.777 -9.719 -10.256 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.903 -10.489 -10.216 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.931 -10.282 -11.173 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.782 -11.460 -11.130 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.592 -11.372 -11.751 1.00 10.00 N ATOM 0 H HIS A 80 -8.144 -6.816 -8.339 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.794 -7.358 -10.972 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.579 -8.794 -8.775 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.297 -8.489 -8.612 1.00 10.00 H new ATOM 0 HD1 HIS A 80 -11.701 -10.349 -9.596 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.932 -9.945 -11.408 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.533 -12.208 -11.339 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.130 -6.685 -11.601 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.418 -6.145 -11.980 1.00 10.00 C ATOM 1226 C PRO A 81 -13.576 -6.859 -11.274 1.00 10.00 C ATOM 1227 O PRO A 81 -14.669 -6.304 -11.249 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.483 -6.255 -13.506 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.510 -7.386 -13.840 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.469 -7.319 -12.730 1.00 10.00 C ATOM 0 HA PRO A 81 -12.523 -5.106 -11.667 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.493 -6.484 -13.846 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.189 -5.322 -13.986 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.013 -8.353 -13.857 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.056 -7.245 -14.821 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.115 -8.316 -12.466 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.598 -6.745 -13.046 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.359 -8.049 -10.689 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.424 -8.742 -9.960 1.00 10.00 C ATOM 1240 C ASP A 82 -14.669 -8.120 -8.575 1.00 10.00 C ATOM 1241 O ASP A 82 -15.740 -8.306 -8.005 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.177 -10.263 -9.915 1.00 10.00 C ATOM 1243 CG ASP A 82 -13.655 -10.760 -8.572 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -12.592 -10.238 -8.172 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.269 -11.695 -8.021 1.00 10.00 O ATOM 0 H ASP A 82 -12.467 -8.542 -10.708 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.354 -8.603 -10.512 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -15.108 -10.780 -10.147 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.462 -10.529 -10.694 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.691 -7.373 -8.046 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.810 -6.693 -6.761 1.00 10.00 C ATOM 1252 C ASP A 83 -14.721 -5.462 -6.861 1.00 10.00 C ATOM 1253 O ASP A 83 -15.453 -5.157 -5.921 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.412 -6.310 -6.268 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.474 -5.513 -4.975 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.698 -4.288 -5.033 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.247 -6.155 -3.937 1.00 10.00 O ATOM 0 H ASP A 83 -12.792 -7.226 -8.505 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.272 -7.369 -6.041 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.821 -7.212 -6.112 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.903 -5.724 -7.033 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.637 -4.753 -7.994 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.317 -3.481 -8.217 1.00 10.00 C ATOM 1264 C ARG A 84 -16.837 -3.579 -8.047 1.00 10.00 C ATOM 1265 O ARG A 84 -17.417 -2.559 -7.613 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.999 -2.937 -9.624 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.330 -1.561 -9.596 1.00 10.00 C ATOM 1268 CD ARG A 84 -12.846 -1.668 -9.224 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.041 -2.422 -10.205 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.641 -1.955 -11.400 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -12.079 -0.763 -11.826 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.809 -2.676 -12.160 1.00 10.00 N ATOM 0 H ARG A 84 -14.082 -5.058 -8.794 1.00 10.00 H new ATOM 0 HA ARG A 84 -14.942 -2.797 -7.455 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.347 -3.641 -10.141 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.922 -2.874 -10.201 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.429 -1.087 -10.572 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.842 -0.921 -8.878 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.433 -0.664 -9.123 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.759 -2.149 -8.250 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.767 -3.372 -9.956 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.713 -0.215 -11.244 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.779 -0.403 -12.732 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.476 -3.583 -11.833 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.507 -2.319 -13.066 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 3.049 7.312 3.012 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.318 10.097 4.622 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.228 7.717 0.374 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.422 4.725 1.346 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.900 6.787 5.778 1.00 10.00 C HETATM 1292 NA HEM A 201 4.547 8.622 2.606 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.863 9.701 3.386 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.874 10.450 2.681 1.00 10.00 C HETATM 1295 C3A HEM A 201 6.205 9.741 1.544 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.310 8.607 1.464 1.00 10.00 C HETATM 1297 CMA HEM A 201 7.264 10.114 0.533 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.363 11.821 3.093 1.00 10.00 C HETATM 1299 CBA HEM A 201 7.174 11.843 4.399 1.00 10.00 C HETATM 1300 CGA HEM A 201 6.865 13.074 5.239 1.00 10.00 C HETATM 1301 O1A HEM A 201 7.828 13.800 5.563 1.00 10.00 O HETATM 1302 O2A HEM A 201 5.666 13.258 5.541 1.00 10.00 O HETATM 1303 NB HEM A 201 3.287 6.381 1.206 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.248 6.713 0.273 1.00 10.00 C HETATM 1305 C2B HEM A 201 4.054 5.843 -0.871 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.968 5.054 -0.580 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.496 5.364 0.738 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.877 5.794 -2.133 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.338 4.020 -1.491 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.324 4.318 -2.316 1.00 10.00 C HETATM 1311 NC HEM A 201 1.462 6.002 3.476 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.979 5.041 2.623 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.133 4.390 3.271 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.231 4.945 4.517 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.756 5.982 4.654 1.00 10.00 C HETATM 1316 CMC HEM A 201 -0.990 3.297 2.701 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.287 4.593 5.537 1.00 10.00 C HETATM 1318 CBC HEM A 201 -2.247 5.493 5.845 1.00 10.00 C HETATM 1319 ND HEM A 201 2.676 8.273 4.881 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.787 7.856 5.832 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.933 8.721 6.974 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.868 9.677 6.649 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.337 9.382 5.310 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.245 8.558 8.310 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.411 10.706 7.619 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.431 11.823 7.974 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.536 12.226 9.443 1.00 10.00 C HETATM 1328 O1D HEM A 201 2.320 11.334 10.292 1.00 10.00 O HETATM 1329 O2D HEM A 201 2.823 13.415 9.692 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.635 9.212 0.046 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 8.087 10.619 1.038 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 6.834 10.780 -0.215 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.288 6.782 -2.338 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.247 5.484 -2.966 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.692 5.081 -2.009 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.040 3.402 1.617 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -1.994 3.367 3.119 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -0.559 2.328 2.952 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 0.279 8.073 8.165 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.095 9.538 8.764 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 1.864 7.945 8.966 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 0.897 3.546 -2.956 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 0.926 5.332 -2.346 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -3.012 5.244 6.581 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -2.257 6.468 5.358 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 8.238 11.821 4.166 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 6.956 10.945 4.977 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 5.503 12.482 3.203 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.978 12.229 2.291 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.414 11.496 7.759 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 2.626 12.691 7.344 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.310 11.151 7.191 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.712 10.199 8.536 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.682 11.012 5.066 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.952 7.810 -0.422 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.909 3.947 0.800 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.296 6.573 6.647 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.722 3.000 -1.475 1.00 10.00 H new HETATM 0 HAC HEM A 201 -1.275 3.617 6.023 1.00 10.00 H new