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 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 173:sc= 0.00624 USER MOD Single : A 8 THR OG1 : rot -116:sc= 1.91 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.65 K(o=-0.65,f=-1.6) USER MOD Single : A 16 ASN : amide:sc= -0.788 X(o=-0.79,f=-0.78) USER MOD Single : A 17 ASN : amide:sc= -0.0258 X(o=-0.026,f=-0.21) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.0283 USER MOD Single : A 26 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.59) 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 81:sc= 1.8 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.267 K(o=-0.27,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 19:sc= 1.43 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 71 SER OG : rot -36:sc= 0.17 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= -0.309 K(o=-0.31,f=-4.1!) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.366 (180deg=-0.366) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.286 (180deg=-0.85) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.12 (180deg=-0.12) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.0245 (180deg=-0.187) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 3.540 -5.108 -18.642 1.00 10.00 N ATOM 2 CA ALA A 3 2.407 -6.042 -18.531 1.00 10.00 C ATOM 3 C ALA A 3 1.465 -5.457 -17.490 1.00 10.00 C ATOM 4 O ALA A 3 1.870 -4.498 -16.837 1.00 10.00 O ATOM 5 CB ALA A 3 2.876 -7.453 -18.151 1.00 10.00 C ATOM 0 HA ALA A 3 1.898 -6.153 -19.488 1.00 10.00 H new ATOM 0 HB1 ALA A 3 2.014 -8.116 -18.078 1.00 10.00 H new ATOM 0 HB2 ALA A 3 3.558 -7.828 -18.914 1.00 10.00 H new ATOM 0 HB3 ALA A 3 3.390 -7.419 -17.190 1.00 10.00 H new ATOM 13 N VAL A 4 0.250 -5.987 -17.369 1.00 10.00 N ATOM 14 CA VAL A 4 -0.710 -5.614 -16.345 1.00 10.00 C ATOM 15 C VAL A 4 -1.284 -6.932 -15.853 1.00 10.00 C ATOM 16 O VAL A 4 -1.350 -7.901 -16.613 1.00 10.00 O ATOM 17 CB VAL A 4 -1.798 -4.687 -16.920 1.00 10.00 C ATOM 18 CG1 VAL A 4 -2.857 -4.308 -15.871 1.00 10.00 C ATOM 19 CG2 VAL A 4 -1.164 -3.392 -17.440 1.00 10.00 C ATOM 0 H VAL A 4 -0.099 -6.708 -18.001 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.254 -5.050 -15.531 1.00 10.00 H new ATOM 0 HB VAL A 4 -2.283 -5.238 -17.726 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -3.601 -3.654 -16.325 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -3.344 -5.211 -15.503 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -2.377 -3.790 -15.041 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -1.941 -2.743 -17.844 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -0.655 -2.882 -16.622 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -0.444 -3.628 -18.224 1.00 10.00 H new ATOM 29 N LYS A 5 -1.649 -6.981 -14.579 1.00 10.00 N ATOM 30 CA LYS A 5 -2.305 -8.115 -13.973 1.00 10.00 C ATOM 31 C LYS A 5 -3.069 -7.536 -12.793 1.00 10.00 C ATOM 32 O LYS A 5 -2.723 -6.453 -12.311 1.00 10.00 O ATOM 33 CB LYS A 5 -1.256 -9.172 -13.585 1.00 10.00 C ATOM 34 CG LYS A 5 -1.769 -10.618 -13.694 1.00 10.00 C ATOM 35 CD LYS A 5 -0.628 -11.550 -14.138 1.00 10.00 C ATOM 36 CE LYS A 5 -0.574 -11.635 -15.675 1.00 10.00 C ATOM 37 NZ LYS A 5 0.716 -12.159 -16.171 1.00 10.00 N ATOM 0 H LYS A 5 -1.490 -6.211 -13.929 1.00 10.00 H new ATOM 0 HA LYS A 5 -2.995 -8.637 -14.636 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.382 -9.056 -14.226 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.928 -8.988 -12.562 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.164 -10.946 -12.732 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -2.590 -10.668 -14.409 1.00 10.00 H new ATOM 0 HD2 LYS A 5 0.323 -11.180 -13.754 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.777 -12.544 -13.717 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.382 -12.276 -16.028 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -0.745 -10.644 -16.096 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 0.699 -12.196 -17.210 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 1.487 -11.535 -15.859 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 0.870 -13.116 -15.793 1.00 10.00 H new ATOM 51 N TYR A 6 -4.140 -8.208 -12.384 1.00 10.00 N ATOM 52 CA TYR A 6 -4.992 -7.736 -11.325 1.00 10.00 C ATOM 53 C TYR A 6 -4.903 -8.709 -10.165 1.00 10.00 C ATOM 54 O TYR A 6 -4.601 -9.884 -10.376 1.00 10.00 O ATOM 55 CB TYR A 6 -6.425 -7.629 -11.829 1.00 10.00 C ATOM 56 CG TYR A 6 -6.609 -6.790 -13.075 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.452 -7.374 -14.346 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.923 -5.425 -12.967 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.551 -6.580 -15.501 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.039 -4.636 -14.124 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.829 -5.208 -15.389 1.00 10.00 C ATOM 62 OH TYR A 6 -6.894 -4.435 -16.508 1.00 10.00 O ATOM 0 H TYR A 6 -4.433 -9.098 -12.787 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.673 -6.748 -10.993 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.799 -8.633 -12.028 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.042 -7.211 -11.034 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.255 -8.432 -14.433 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.075 -4.982 -11.994 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.413 -7.025 -16.475 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.290 -3.589 -14.040 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.096 -3.510 -16.255 1.00 10.00 H new ATOM 72 N TYR A 7 -5.175 -8.222 -8.958 1.00 10.00 N ATOM 73 CA TYR A 7 -5.169 -9.037 -7.759 1.00 10.00 C ATOM 74 C TYR A 7 -6.512 -8.854 -7.060 1.00 10.00 C ATOM 75 O TYR A 7 -7.063 -7.748 -7.047 1.00 10.00 O ATOM 76 CB TYR A 7 -3.973 -8.648 -6.886 1.00 10.00 C ATOM 77 CG TYR A 7 -2.652 -8.613 -7.633 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.999 -9.812 -7.970 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.132 -7.385 -8.083 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.802 -9.779 -8.709 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.944 -7.355 -8.829 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.266 -8.548 -9.122 1.00 10.00 C ATOM 83 OH TYR A 7 0.917 -8.507 -9.795 1.00 10.00 O ATOM 0 H TYR A 7 -5.407 -7.243 -8.789 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.052 -10.096 -7.987 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.158 -7.667 -6.449 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.893 -9.355 -6.060 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.417 -10.759 -7.661 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.648 -6.464 -7.854 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.296 -10.700 -8.959 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.551 -6.412 -9.178 1.00 10.00 H new ATOM 0 HH TYR A 7 1.084 -7.593 -10.108 1.00 10.00 H new ATOM 93 N THR A 8 -7.068 -9.952 -6.545 1.00 10.00 N ATOM 94 CA THR A 8 -8.304 -9.926 -5.787 1.00 10.00 C ATOM 95 C THR A 8 -8.014 -9.325 -4.414 1.00 10.00 C ATOM 96 O THR A 8 -6.887 -9.418 -3.922 1.00 10.00 O ATOM 97 CB THR A 8 -8.870 -11.351 -5.661 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.022 -12.133 -4.833 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.092 -11.984 -7.040 1.00 10.00 C ATOM 0 H THR A 8 -6.666 -10.884 -6.647 1.00 10.00 H new ATOM 0 HA THR A 8 -9.051 -9.316 -6.295 1.00 10.00 H new ATOM 0 HB THR A 8 -9.850 -11.306 -5.186 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.630 -12.860 -5.360 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.492 -12.990 -6.918 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.798 -11.379 -7.609 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.143 -12.033 -7.575 1.00 10.00 H new ATOM 107 N LEU A 9 -9.032 -8.736 -3.778 1.00 10.00 N ATOM 108 CA LEU A 9 -8.910 -8.271 -2.403 1.00 10.00 C ATOM 109 C LEU A 9 -8.328 -9.389 -1.543 1.00 10.00 C ATOM 110 O LEU A 9 -7.420 -9.145 -0.766 1.00 10.00 O ATOM 111 CB LEU A 9 -10.269 -7.800 -1.868 1.00 10.00 C ATOM 112 CG LEU A 9 -10.152 -6.543 -0.980 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.542 -5.981 -0.649 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.379 -6.834 0.314 1.00 10.00 C ATOM 0 H LEU A 9 -9.947 -8.573 -4.198 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.235 -7.416 -2.367 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -10.932 -7.588 -2.707 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.728 -8.605 -1.294 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.593 -5.797 -1.545 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.437 -5.095 -0.022 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.055 -5.713 -1.572 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.122 -6.735 -0.117 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.317 -5.925 0.913 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.897 -7.608 0.881 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.374 -7.176 0.068 1.00 10.00 H new ATOM 126 N GLU A 10 -8.816 -10.618 -1.729 1.00 10.00 N ATOM 127 CA GLU A 10 -8.310 -11.809 -1.046 1.00 10.00 C ATOM 128 C GLU A 10 -6.794 -11.976 -1.216 1.00 10.00 C ATOM 129 O GLU A 10 -6.046 -12.024 -0.238 1.00 10.00 O ATOM 130 CB GLU A 10 -9.043 -13.060 -1.543 1.00 10.00 C ATOM 131 CG GLU A 10 -8.822 -14.261 -0.609 1.00 10.00 C ATOM 132 CD GLU A 10 -9.459 -14.065 0.762 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.706 -14.096 0.816 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.683 -13.893 1.726 1.00 10.00 O ATOM 0 H GLU A 10 -9.586 -10.816 -2.368 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.503 -11.678 0.019 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.110 -12.850 -1.619 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.696 -13.310 -2.545 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.235 -15.157 -1.072 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.752 -14.429 -0.487 1.00 10.00 H new ATOM 141 N GLU A 11 -6.334 -12.085 -2.466 1.00 10.00 N ATOM 142 CA GLU A 11 -4.914 -12.244 -2.755 1.00 10.00 C ATOM 143 C GLU A 11 -4.104 -11.149 -2.066 1.00 10.00 C ATOM 144 O GLU A 11 -3.101 -11.421 -1.411 1.00 10.00 O ATOM 145 CB GLU A 11 -4.660 -12.235 -4.271 1.00 10.00 C ATOM 146 CG GLU A 11 -4.330 -13.642 -4.776 1.00 10.00 C ATOM 147 CD GLU A 11 -5.507 -14.585 -4.570 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.567 -14.287 -5.169 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.323 -15.559 -3.805 1.00 10.00 O ATOM 0 H GLU A 11 -6.930 -12.065 -3.293 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.591 -13.209 -2.365 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.540 -11.855 -4.789 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.837 -11.559 -4.502 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.073 -13.601 -5.834 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.456 -14.025 -4.250 1.00 10.00 H new ATOM 156 N ILE A 12 -4.547 -9.903 -2.208 1.00 10.00 N ATOM 157 CA ILE A 12 -3.884 -8.774 -1.577 1.00 10.00 C ATOM 158 C ILE A 12 -3.906 -8.963 -0.046 1.00 10.00 C ATOM 159 O ILE A 12 -2.882 -8.800 0.615 1.00 10.00 O ATOM 160 CB ILE A 12 -4.537 -7.470 -2.073 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.492 -7.387 -3.616 1.00 10.00 C ATOM 162 CG2 ILE A 12 -3.841 -6.226 -1.503 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.502 -6.378 -4.155 1.00 10.00 C ATOM 0 H ILE A 12 -5.368 -9.652 -2.759 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.832 -8.712 -1.855 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.570 -7.490 -1.726 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.489 -7.105 -3.936 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.698 -8.370 -4.040 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.334 -5.329 -1.879 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -3.899 -6.243 -0.415 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.795 -6.221 -1.810 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.441 -6.348 -5.243 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.507 -6.675 -3.856 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.280 -5.390 -3.751 1.00 10.00 H new ATOM 175 N GLN A 13 -5.046 -9.379 0.514 1.00 10.00 N ATOM 176 CA GLN A 13 -5.245 -9.647 1.933 1.00 10.00 C ATOM 177 C GLN A 13 -4.204 -10.631 2.441 1.00 10.00 C ATOM 178 O GLN A 13 -3.574 -10.370 3.459 1.00 10.00 O ATOM 179 CB GLN A 13 -6.679 -10.125 2.229 1.00 10.00 C ATOM 180 CG GLN A 13 -7.519 -9.044 2.924 1.00 10.00 C ATOM 181 CD GLN A 13 -7.199 -8.911 4.412 1.00 10.00 C ATOM 182 OE1 GLN A 13 -6.217 -9.452 4.908 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.037 -8.191 5.153 1.00 10.00 N ATOM 0 H GLN A 13 -5.889 -9.544 -0.037 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.112 -8.710 2.474 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.163 -10.415 1.297 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.641 -11.014 2.859 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.348 -8.086 2.433 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.577 -9.279 2.804 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -8.848 -7.749 4.721 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -7.868 -8.081 6.153 1.00 10.00 H new ATOM 192 N LYS A 14 -3.965 -11.732 1.723 1.00 10.00 N ATOM 193 CA LYS A 14 -2.956 -12.711 2.113 1.00 10.00 C ATOM 194 C LYS A 14 -1.601 -12.042 2.419 1.00 10.00 C ATOM 195 O LYS A 14 -0.863 -12.499 3.291 1.00 10.00 O ATOM 196 CB LYS A 14 -2.832 -13.806 1.039 1.00 10.00 C ATOM 197 CG LYS A 14 -4.058 -14.733 0.986 1.00 10.00 C ATOM 198 CD LYS A 14 -3.913 -15.714 -0.190 1.00 10.00 C ATOM 199 CE LYS A 14 -4.905 -16.886 -0.142 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.503 -17.926 0.829 1.00 10.00 N ATOM 0 H LYS A 14 -4.462 -11.965 0.863 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.279 -13.186 3.039 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.694 -13.338 0.064 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.941 -14.402 1.236 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.151 -15.283 1.922 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.968 -14.143 0.871 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -4.052 -15.170 -1.124 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -2.897 -16.109 -0.199 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.894 -16.511 0.121 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -4.986 -17.331 -1.134 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.204 -18.695 0.824 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -3.571 -18.305 0.566 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -4.451 -17.511 1.781 1.00 10.00 H new ATOM 214 N HIS A 15 -1.286 -10.924 1.760 1.00 10.00 N ATOM 215 CA HIS A 15 -0.053 -10.177 1.976 1.00 10.00 C ATOM 216 C HIS A 15 -0.242 -9.194 3.140 1.00 10.00 C ATOM 217 O HIS A 15 -0.235 -7.977 2.942 1.00 10.00 O ATOM 218 CB HIS A 15 0.380 -9.469 0.682 1.00 10.00 C ATOM 219 CG HIS A 15 0.793 -10.377 -0.454 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.876 -10.172 -1.279 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.136 -11.489 -0.918 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.876 -11.147 -2.205 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.843 -11.980 -2.019 1.00 10.00 N ATOM 0 H HIS A 15 -1.892 -10.510 1.052 1.00 10.00 H new ATOM 0 HA HIS A 15 0.749 -10.864 2.246 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.443 -8.841 0.340 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.213 -8.805 0.914 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.768 -11.911 -0.505 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.609 -11.245 -2.992 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.618 -12.808 -2.571 1.00 10.00 H new ATOM 231 N ASN A 16 -0.383 -9.740 4.357 1.00 10.00 N ATOM 232 CA ASN A 16 -0.575 -8.979 5.595 1.00 10.00 C ATOM 233 C ASN A 16 0.276 -9.554 6.735 1.00 10.00 C ATOM 234 O ASN A 16 -0.221 -9.806 7.827 1.00 10.00 O ATOM 235 CB ASN A 16 -2.072 -8.906 5.972 1.00 10.00 C ATOM 236 CG ASN A 16 -2.625 -10.205 6.568 1.00 10.00 C ATOM 237 OD1 ASN A 16 -3.002 -10.249 7.738 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.655 -11.271 5.776 1.00 10.00 N ATOM 0 H ASN A 16 -0.366 -10.749 4.508 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.234 -7.958 5.423 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.217 -8.098 6.689 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.649 -8.651 5.083 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -2.999 -12.162 6.133 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.334 -11.198 4.810 1.00 10.00 H new ATOM 245 N ASN A 17 1.580 -9.738 6.520 1.00 10.00 N ATOM 246 CA ASN A 17 2.457 -10.351 7.525 1.00 10.00 C ATOM 247 C ASN A 17 3.590 -9.402 7.903 1.00 10.00 C ATOM 248 O ASN A 17 3.690 -8.308 7.353 1.00 10.00 O ATOM 249 CB ASN A 17 2.969 -11.715 7.021 1.00 10.00 C ATOM 250 CG ASN A 17 2.390 -12.877 7.830 1.00 10.00 C ATOM 251 OD1 ASN A 17 1.212 -12.890 8.164 1.00 10.00 O ATOM 252 ND2 ASN A 17 3.213 -13.864 8.175 1.00 10.00 N ATOM 0 H ASN A 17 2.055 -9.471 5.658 1.00 10.00 H new ATOM 0 HA ASN A 17 1.888 -10.536 8.436 1.00 10.00 H new ATOM 0 HB2 ASN A 17 2.704 -11.837 5.971 1.00 10.00 H new ATOM 0 HB3 ASN A 17 4.057 -11.738 7.080 1.00 10.00 H new ATOM 0 HD21 ASN A 17 2.866 -14.648 8.727 1.00 10.00 H new ATOM 0 HD22 ASN A 17 4.191 -13.836 7.888 1.00 10.00 H new ATOM 259 N SER A 18 4.460 -9.820 8.832 1.00 10.00 N ATOM 260 CA SER A 18 5.676 -9.083 9.178 1.00 10.00 C ATOM 261 C SER A 18 6.721 -9.225 8.064 1.00 10.00 C ATOM 262 O SER A 18 7.809 -9.746 8.293 1.00 10.00 O ATOM 263 CB SER A 18 6.224 -9.578 10.523 1.00 10.00 C ATOM 264 OG SER A 18 5.288 -9.311 11.549 1.00 10.00 O ATOM 0 H SER A 18 4.337 -10.681 9.364 1.00 10.00 H new ATOM 0 HA SER A 18 5.437 -8.024 9.277 1.00 10.00 H new ATOM 0 HB2 SER A 18 6.426 -10.648 10.472 1.00 10.00 H new ATOM 0 HB3 SER A 18 7.171 -9.085 10.744 1.00 10.00 H new ATOM 0 HG SER A 18 5.641 -9.630 12.405 1.00 10.00 H new ATOM 270 N LYS A 19 6.358 -8.779 6.861 1.00 10.00 N ATOM 271 CA LYS A 19 7.137 -8.688 5.648 1.00 10.00 C ATOM 272 C LYS A 19 6.151 -8.221 4.575 1.00 10.00 C ATOM 273 O LYS A 19 6.119 -7.046 4.225 1.00 10.00 O ATOM 274 CB LYS A 19 7.785 -10.036 5.285 1.00 10.00 C ATOM 275 CG LYS A 19 9.302 -10.003 5.501 1.00 10.00 C ATOM 276 CD LYS A 19 9.950 -11.291 4.980 1.00 10.00 C ATOM 277 CE LYS A 19 11.446 -11.297 5.330 1.00 10.00 C ATOM 278 NZ LYS A 19 12.149 -12.468 4.766 1.00 10.00 N ATOM 0 H LYS A 19 5.409 -8.439 6.708 1.00 10.00 H new ATOM 0 HA LYS A 19 7.971 -7.995 5.754 1.00 10.00 H new ATOM 0 HB2 LYS A 19 7.347 -10.828 5.893 1.00 10.00 H new ATOM 0 HB3 LYS A 19 7.569 -10.277 4.244 1.00 10.00 H new ATOM 0 HG2 LYS A 19 9.729 -9.141 4.988 1.00 10.00 H new ATOM 0 HG3 LYS A 19 9.521 -9.883 6.562 1.00 10.00 H new ATOM 0 HD2 LYS A 19 9.460 -12.160 5.420 1.00 10.00 H new ATOM 0 HD3 LYS A 19 9.819 -11.364 3.900 1.00 10.00 H new ATOM 0 HE2 LYS A 19 11.908 -10.384 4.956 1.00 10.00 H new ATOM 0 HE3 LYS A 19 11.563 -11.293 6.414 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 13.155 -12.429 5.028 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 11.727 -13.341 5.142 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 12.061 -12.460 3.730 1.00 10.00 H new ATOM 292 N SER A 20 5.327 -9.146 4.079 1.00 10.00 N ATOM 293 CA SER A 20 4.415 -8.896 2.983 1.00 10.00 C ATOM 294 C SER A 20 3.359 -7.866 3.382 1.00 10.00 C ATOM 295 O SER A 20 2.527 -8.151 4.248 1.00 10.00 O ATOM 296 CB SER A 20 3.795 -10.225 2.546 1.00 10.00 C ATOM 297 OG SER A 20 4.834 -11.171 2.361 1.00 10.00 O ATOM 0 H SER A 20 5.281 -10.099 4.438 1.00 10.00 H new ATOM 0 HA SER A 20 4.954 -8.472 2.136 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.091 -10.579 3.299 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.234 -10.094 1.621 1.00 10.00 H new ATOM 0 HG SER A 20 4.450 -12.028 2.082 1.00 10.00 H new ATOM 303 N THR A 21 3.407 -6.697 2.738 1.00 10.00 N ATOM 304 CA THR A 21 2.489 -5.587 2.943 1.00 10.00 C ATOM 305 C THR A 21 2.085 -5.030 1.581 1.00 10.00 C ATOM 306 O THR A 21 2.806 -4.225 0.987 1.00 10.00 O ATOM 307 CB THR A 21 3.144 -4.530 3.843 1.00 10.00 C ATOM 308 OG1 THR A 21 3.202 -5.029 5.163 1.00 10.00 O ATOM 309 CG2 THR A 21 2.400 -3.189 3.835 1.00 10.00 C ATOM 0 H THR A 21 4.116 -6.496 2.033 1.00 10.00 H new ATOM 0 HA THR A 21 1.585 -5.919 3.453 1.00 10.00 H new ATOM 0 HB THR A 21 4.142 -4.338 3.450 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.470 -4.310 5.773 1.00 10.00 H new ATOM 0 HG21 THR A 21 2.912 -2.485 4.490 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.378 -2.791 2.820 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.380 -3.337 4.189 1.00 10.00 H new ATOM 317 N TRP A 22 0.924 -5.479 1.097 1.00 10.00 N ATOM 318 CA TRP A 22 0.250 -4.924 -0.064 1.00 10.00 C ATOM 319 C TRP A 22 -1.020 -4.222 0.397 1.00 10.00 C ATOM 320 O TRP A 22 -1.428 -4.380 1.545 1.00 10.00 O ATOM 321 CB TRP A 22 -0.130 -6.053 -1.014 1.00 10.00 C ATOM 322 CG TRP A 22 0.964 -6.726 -1.775 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.296 -6.605 -1.582 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.809 -7.582 -2.937 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.971 -7.301 -2.559 1.00 10.00 N ATOM 326 CE2 TRP A 22 2.101 -7.915 -3.437 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.306 -8.092 -3.630 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.274 -8.701 -4.585 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.147 -8.916 -4.755 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.140 -9.198 -5.251 1.00 10.00 C ATOM 0 H TRP A 22 0.419 -6.259 1.518 1.00 10.00 H new ATOM 0 HA TRP A 22 0.909 -4.220 -0.573 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.652 -6.815 -0.435 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.844 -5.656 -1.736 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.760 -6.047 -0.782 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.987 -7.356 -2.626 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.301 -7.845 -3.290 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.265 -8.922 -4.953 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.015 -9.335 -5.242 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.256 -9.796 -6.143 1.00 10.00 H new ATOM 341 N LEU A 23 -1.657 -3.460 -0.492 1.00 10.00 N ATOM 342 CA LEU A 23 -2.828 -2.656 -0.186 1.00 10.00 C ATOM 343 C LEU A 23 -3.344 -2.019 -1.470 1.00 10.00 C ATOM 344 O LEU A 23 -2.673 -2.105 -2.500 1.00 10.00 O ATOM 345 CB LEU A 23 -2.530 -1.620 0.907 1.00 10.00 C ATOM 346 CG LEU A 23 -1.190 -0.887 0.733 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.360 0.297 -0.213 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.691 -0.393 2.092 1.00 10.00 C ATOM 0 H LEU A 23 -1.362 -3.387 -1.466 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.612 -3.296 0.219 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.334 -0.884 0.923 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.535 -2.119 1.876 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.461 -1.578 0.310 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.405 0.810 -0.330 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.701 -0.060 -1.185 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.095 0.989 0.198 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.259 0.126 1.964 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.423 0.291 2.522 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.553 -1.243 2.760 1.00 10.00 H new ATOM 360 N ILE A 24 -4.532 -1.406 -1.397 1.00 10.00 N ATOM 361 CA ILE A 24 -5.280 -0.880 -2.532 1.00 10.00 C ATOM 362 C ILE A 24 -5.530 0.603 -2.292 1.00 10.00 C ATOM 363 O ILE A 24 -6.226 0.975 -1.341 1.00 10.00 O ATOM 364 CB ILE A 24 -6.608 -1.633 -2.710 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.341 -3.117 -2.992 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.424 -1.053 -3.879 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.587 -3.953 -2.708 1.00 10.00 C ATOM 0 H ILE A 24 -5.012 -1.260 -0.509 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.705 -1.017 -3.448 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.175 -1.521 -1.786 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.039 -3.246 -4.031 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.514 -3.467 -2.374 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.358 -1.606 -3.980 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.643 -0.003 -3.684 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.850 -1.139 -4.801 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.376 -5.002 -2.914 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.871 -3.839 -1.662 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.405 -3.615 -3.345 1.00 10.00 H new ATOM 379 N LEU A 25 -4.956 1.438 -3.159 1.00 10.00 N ATOM 380 CA LEU A 25 -5.125 2.881 -3.147 1.00 10.00 C ATOM 381 C LEU A 25 -5.790 3.250 -4.470 1.00 10.00 C ATOM 382 O LEU A 25 -5.129 3.310 -5.502 1.00 10.00 O ATOM 383 CB LEU A 25 -3.760 3.569 -2.983 1.00 10.00 C ATOM 384 CG LEU A 25 -3.208 3.828 -1.579 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.769 2.868 -0.556 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.676 3.768 -1.593 1.00 10.00 C ATOM 0 H LEU A 25 -4.344 1.114 -3.908 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.743 3.211 -2.312 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.025 2.966 -3.516 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.816 4.530 -3.494 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.525 4.828 -1.283 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.347 3.093 0.424 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.853 2.971 -0.516 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.512 1.846 -0.836 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.295 3.954 -0.589 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.354 2.782 -1.927 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.288 4.526 -2.274 1.00 10.00 H new ATOM 398 N HIS A 26 -7.105 3.478 -4.442 1.00 10.00 N ATOM 399 CA HIS A 26 -7.899 3.874 -5.600 1.00 10.00 C ATOM 400 C HIS A 26 -7.880 2.774 -6.668 1.00 10.00 C ATOM 401 O HIS A 26 -7.544 3.019 -7.826 1.00 10.00 O ATOM 402 CB HIS A 26 -7.463 5.238 -6.164 1.00 10.00 C ATOM 403 CG HIS A 26 -7.234 6.307 -5.124 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.165 7.181 -4.609 1.00 10.00 N ATOM 405 CD2 HIS A 26 -6.036 6.580 -4.525 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.530 7.961 -3.712 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.229 7.633 -3.629 1.00 10.00 N ATOM 0 H HIS A 26 -7.658 3.389 -3.590 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.930 4.000 -5.270 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.544 5.103 -6.735 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -8.224 5.587 -6.862 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.103 6.070 -4.712 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.003 8.744 -3.137 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.525 8.066 -3.032 1.00 10.00 H new ATOM 415 N TYR A 27 -8.242 1.553 -6.261 1.00 10.00 N ATOM 416 CA TYR A 27 -8.356 0.383 -7.129 1.00 10.00 C ATOM 417 C TYR A 27 -7.018 -0.010 -7.773 1.00 10.00 C ATOM 418 O TYR A 27 -7.006 -0.682 -8.804 1.00 10.00 O ATOM 419 CB TYR A 27 -9.458 0.601 -8.185 1.00 10.00 C ATOM 420 CG TYR A 27 -10.813 1.069 -7.677 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.290 0.680 -6.409 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.664 1.779 -8.546 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.581 1.046 -5.997 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.976 2.095 -8.149 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.404 1.800 -6.844 1.00 10.00 C ATOM 426 OH TYR A 27 -14.603 2.259 -6.389 1.00 10.00 O ATOM 0 H TYR A 27 -8.470 1.348 -5.288 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.644 -0.461 -6.502 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -9.096 1.332 -8.908 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.602 -0.336 -8.723 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.660 0.098 -5.752 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.308 2.082 -9.520 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.941 0.745 -5.024 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.654 2.564 -8.847 1.00 10.00 H new ATOM 0 HH TYR A 27 -15.050 2.765 -7.099 1.00 10.00 H new ATOM 436 N LYS A 28 -5.894 0.386 -7.166 1.00 10.00 N ATOM 437 CA LYS A 28 -4.552 0.116 -7.662 1.00 10.00 C ATOM 438 C LYS A 28 -3.727 -0.490 -6.540 1.00 10.00 C ATOM 439 O LYS A 28 -3.781 0.017 -5.417 1.00 10.00 O ATOM 440 CB LYS A 28 -3.919 1.404 -8.187 1.00 10.00 C ATOM 441 CG LYS A 28 -4.618 1.787 -9.489 1.00 10.00 C ATOM 442 CD LYS A 28 -4.168 3.151 -9.998 1.00 10.00 C ATOM 443 CE LYS A 28 -4.794 3.349 -11.388 1.00 10.00 C ATOM 444 NZ LYS A 28 -5.138 4.758 -11.650 1.00 10.00 N ATOM 0 H LYS A 28 -5.899 0.916 -6.295 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.592 -0.592 -8.490 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.020 2.203 -7.453 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.852 1.261 -8.357 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.412 1.031 -10.247 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.697 1.796 -9.332 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.487 3.940 -9.317 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.081 3.200 -10.056 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.098 2.999 -12.151 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.692 2.737 -11.470 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.557 4.843 -12.598 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.822 5.086 -10.939 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.278 5.341 -11.598 1.00 10.00 H new ATOM 458 N VAL A 29 -3.012 -1.581 -6.841 1.00 10.00 N ATOM 459 CA VAL A 29 -2.276 -2.333 -5.842 1.00 10.00 C ATOM 460 C VAL A 29 -0.820 -1.880 -5.833 1.00 10.00 C ATOM 461 O VAL A 29 -0.189 -1.752 -6.887 1.00 10.00 O ATOM 462 CB VAL A 29 -2.399 -3.844 -6.074 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.980 -4.611 -4.812 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.837 -4.228 -6.408 1.00 10.00 C ATOM 0 H VAL A 29 -2.933 -1.959 -7.785 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.708 -2.133 -4.861 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.747 -4.103 -6.908 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.072 -5.682 -4.990 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.945 -4.371 -4.567 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.625 -4.325 -3.981 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.898 -5.304 -6.568 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.490 -3.946 -5.582 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.152 -3.708 -7.313 1.00 10.00 H new ATOM 474 N TYR A 30 -0.305 -1.647 -4.626 1.00 10.00 N ATOM 475 CA TYR A 30 1.034 -1.144 -4.385 1.00 10.00 C ATOM 476 C TYR A 30 1.755 -2.123 -3.468 1.00 10.00 C ATOM 477 O TYR A 30 1.297 -2.334 -2.345 1.00 10.00 O ATOM 478 CB TYR A 30 0.907 0.243 -3.747 1.00 10.00 C ATOM 479 CG TYR A 30 0.320 1.260 -4.706 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.103 1.742 -5.767 1.00 10.00 C ATOM 481 CD2 TYR A 30 -1.053 1.558 -4.674 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.542 2.612 -6.720 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.605 2.437 -5.624 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.795 3.005 -6.614 1.00 10.00 C ATOM 485 OH TYR A 30 -1.302 3.940 -7.467 1.00 10.00 O ATOM 0 H TYR A 30 -0.830 -1.810 -3.767 1.00 10.00 H new ATOM 0 HA TYR A 30 1.610 -1.053 -5.306 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.278 0.177 -2.859 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.889 0.581 -3.417 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.138 1.444 -5.852 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.685 1.112 -3.920 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.147 2.978 -7.537 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.658 2.674 -5.589 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.246 4.097 -7.257 1.00 10.00 H new ATOM 495 N ASP A 31 2.859 -2.719 -3.933 1.00 10.00 N ATOM 496 CA ASP A 31 3.722 -3.477 -3.037 1.00 10.00 C ATOM 497 C ASP A 31 4.622 -2.485 -2.325 1.00 10.00 C ATOM 498 O ASP A 31 5.302 -1.699 -2.980 1.00 10.00 O ATOM 499 CB ASP A 31 4.585 -4.511 -3.766 1.00 10.00 C ATOM 500 CG ASP A 31 5.516 -5.223 -2.786 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.187 -5.241 -1.577 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.536 -5.770 -3.247 1.00 10.00 O ATOM 0 H ASP A 31 3.167 -2.690 -4.905 1.00 10.00 H new ATOM 0 HA ASP A 31 3.092 -4.034 -2.343 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.946 -5.240 -4.263 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.172 -4.020 -4.542 1.00 10.00 H new ATOM 507 N LEU A 32 4.611 -2.509 -0.995 1.00 10.00 N ATOM 508 CA LEU A 32 5.471 -1.679 -0.180 1.00 10.00 C ATOM 509 C LEU A 32 6.238 -2.571 0.802 1.00 10.00 C ATOM 510 O LEU A 32 6.802 -2.074 1.775 1.00 10.00 O ATOM 511 CB LEU A 32 4.619 -0.616 0.527 1.00 10.00 C ATOM 512 CG LEU A 32 3.652 0.143 -0.406 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.480 0.674 0.419 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.396 1.254 -1.156 1.00 10.00 C ATOM 0 H LEU A 32 3.995 -3.115 -0.454 1.00 10.00 H new ATOM 0 HA LEU A 32 6.206 -1.154 -0.790 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.042 -1.096 1.317 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.282 0.103 1.008 1.00 10.00 H new ATOM 0 HG LEU A 32 3.252 -0.529 -1.165 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.791 1.212 -0.232 1.00 10.00 H new ATOM 0 HD12 LEU A 32 1.959 -0.160 0.889 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.853 1.349 1.189 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.701 1.780 -1.810 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.821 1.956 -0.438 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.196 0.817 -1.754 1.00 10.00 H new ATOM 526 N THR A 33 6.302 -3.881 0.540 1.00 10.00 N ATOM 527 CA THR A 33 6.959 -4.858 1.396 1.00 10.00 C ATOM 528 C THR A 33 8.400 -4.445 1.707 1.00 10.00 C ATOM 529 O THR A 33 8.786 -4.360 2.871 1.00 10.00 O ATOM 530 CB THR A 33 6.855 -6.231 0.722 1.00 10.00 C ATOM 531 OG1 THR A 33 5.483 -6.577 0.652 1.00 10.00 O ATOM 532 CG2 THR A 33 7.672 -7.321 1.424 1.00 10.00 C ATOM 0 H THR A 33 5.887 -4.295 -0.295 1.00 10.00 H new ATOM 0 HA THR A 33 6.463 -4.911 2.365 1.00 10.00 H new ATOM 0 HB THR A 33 7.287 -6.161 -0.276 1.00 10.00 H new ATOM 0 HG1 THR A 33 5.070 -6.126 -0.114 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.551 -8.265 0.893 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.725 -7.040 1.429 1.00 10.00 H new ATOM 0 HG23 THR A 33 7.322 -7.434 2.450 1.00 10.00 H new ATOM 540 N LYS A 34 9.189 -4.135 0.674 1.00 10.00 N ATOM 541 CA LYS A 34 10.557 -3.649 0.847 1.00 10.00 C ATOM 542 C LYS A 34 10.603 -2.122 0.994 1.00 10.00 C ATOM 543 O LYS A 34 11.682 -1.543 0.949 1.00 10.00 O ATOM 544 CB LYS A 34 11.453 -4.157 -0.301 1.00 10.00 C ATOM 545 CG LYS A 34 12.282 -5.373 0.136 1.00 10.00 C ATOM 546 CD LYS A 34 13.337 -5.693 -0.931 1.00 10.00 C ATOM 547 CE LYS A 34 13.980 -7.062 -0.671 1.00 10.00 C ATOM 548 NZ LYS A 34 15.076 -7.346 -1.623 1.00 10.00 N ATOM 0 H LYS A 34 8.897 -4.214 -0.300 1.00 10.00 H new ATOM 0 HA LYS A 34 10.952 -4.054 1.779 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.834 -4.425 -1.157 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.119 -3.358 -0.627 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.767 -5.170 1.091 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.631 -6.234 0.286 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.876 -5.685 -1.918 1.00 10.00 H new ATOM 0 HD3 LYS A 34 14.105 -4.920 -0.932 1.00 10.00 H new ATOM 0 HE2 LYS A 34 14.366 -7.094 0.348 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.221 -7.840 -0.749 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 15.484 -8.279 -1.414 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.703 -7.341 -2.594 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.813 -6.618 -1.531 1.00 10.00 H new ATOM 562 N PHE A 35 9.450 -1.475 1.193 1.00 10.00 N ATOM 563 CA PHE A 35 9.344 -0.043 1.424 1.00 10.00 C ATOM 564 C PHE A 35 9.030 0.243 2.892 1.00 10.00 C ATOM 565 O PHE A 35 9.220 1.370 3.322 1.00 10.00 O ATOM 566 CB PHE A 35 8.233 0.547 0.550 1.00 10.00 C ATOM 567 CG PHE A 35 8.288 2.055 0.354 1.00 10.00 C ATOM 568 CD1 PHE A 35 9.488 2.696 -0.014 1.00 10.00 C ATOM 569 CD2 PHE A 35 7.122 2.825 0.513 1.00 10.00 C ATOM 570 CE1 PHE A 35 9.534 4.090 -0.171 1.00 10.00 C ATOM 571 CE2 PHE A 35 7.146 4.205 0.252 1.00 10.00 C ATOM 572 CZ PHE A 35 8.358 4.847 -0.050 1.00 10.00 C ATOM 0 H PHE A 35 8.547 -1.950 1.197 1.00 10.00 H new ATOM 0 HA PHE A 35 10.299 0.416 1.167 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.271 0.069 -0.429 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.271 0.290 0.993 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.380 2.109 -0.177 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.206 2.354 0.837 1.00 10.00 H new ATOM 0 HE1 PHE A 35 10.473 4.580 -0.385 1.00 10.00 H new ATOM 0 HE2 PHE A 35 6.229 4.774 0.284 1.00 10.00 H new ATOM 0 HZ PHE A 35 8.385 5.918 -0.188 1.00 10.00 H new ATOM 582 N LEU A 36 8.531 -0.728 3.668 1.00 10.00 N ATOM 583 CA LEU A 36 8.192 -0.519 5.075 1.00 10.00 C ATOM 584 C LEU A 36 9.270 0.276 5.819 1.00 10.00 C ATOM 585 O LEU A 36 8.973 1.293 6.437 1.00 10.00 O ATOM 586 CB LEU A 36 7.992 -1.873 5.762 1.00 10.00 C ATOM 587 CG LEU A 36 6.755 -2.640 5.281 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.803 -4.041 5.885 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.471 -1.919 5.694 1.00 10.00 C ATOM 0 H LEU A 36 8.353 -1.676 3.336 1.00 10.00 H new ATOM 0 HA LEU A 36 7.271 0.063 5.107 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.876 -2.488 5.594 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.913 -1.715 6.838 1.00 10.00 H new ATOM 0 HG LEU A 36 6.756 -2.700 4.193 1.00 10.00 H new ATOM 0 HD11 LEU A 36 5.932 -4.608 5.557 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.711 -4.548 5.557 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.801 -3.969 6.973 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.607 -2.483 5.341 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.432 -1.838 6.780 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.457 -0.921 5.255 1.00 10.00 H new ATOM 601 N GLU A 37 10.517 -0.198 5.748 1.00 10.00 N ATOM 602 CA GLU A 37 11.654 0.446 6.399 1.00 10.00 C ATOM 603 C GLU A 37 11.938 1.830 5.792 1.00 10.00 C ATOM 604 O GLU A 37 12.264 2.777 6.504 1.00 10.00 O ATOM 605 CB GLU A 37 12.887 -0.474 6.310 1.00 10.00 C ATOM 606 CG GLU A 37 13.566 -0.628 7.676 1.00 10.00 C ATOM 607 CD GLU A 37 14.864 -1.417 7.559 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.774 -2.598 7.159 1.00 10.00 O ATOM 609 OE2 GLU A 37 15.922 -0.823 7.858 1.00 10.00 O ATOM 0 H GLU A 37 10.764 -1.044 5.234 1.00 10.00 H new ATOM 0 HA GLU A 37 11.413 0.608 7.450 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.587 -1.454 5.938 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.598 -0.065 5.592 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.772 0.357 8.096 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.891 -1.134 8.366 1.00 10.00 H new ATOM 616 N GLU A 38 11.839 1.934 4.464 1.00 10.00 N ATOM 617 CA GLU A 38 12.092 3.153 3.710 1.00 10.00 C ATOM 618 C GLU A 38 11.095 4.261 4.075 1.00 10.00 C ATOM 619 O GLU A 38 11.451 5.433 4.187 1.00 10.00 O ATOM 620 CB GLU A 38 11.990 2.814 2.219 1.00 10.00 C ATOM 621 CG GLU A 38 13.068 1.828 1.743 1.00 10.00 C ATOM 622 CD GLU A 38 13.615 2.232 0.377 1.00 10.00 C ATOM 623 OE1 GLU A 38 12.814 2.215 -0.582 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.813 2.583 0.325 1.00 10.00 O ATOM 0 H GLU A 38 11.573 1.147 3.872 1.00 10.00 H new ATOM 0 HA GLU A 38 13.086 3.529 3.952 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.006 2.391 2.017 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.067 3.733 1.639 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.881 1.794 2.469 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.648 0.824 1.688 1.00 10.00 H new ATOM 631 N HIS A 39 9.823 3.890 4.205 1.00 10.00 N ATOM 632 CA HIS A 39 8.713 4.789 4.434 1.00 10.00 C ATOM 633 C HIS A 39 8.804 5.370 5.854 1.00 10.00 C ATOM 634 O HIS A 39 8.998 4.617 6.805 1.00 10.00 O ATOM 635 CB HIS A 39 7.418 4.002 4.214 1.00 10.00 C ATOM 636 CG HIS A 39 6.171 4.828 4.365 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.533 5.067 5.552 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.456 5.448 3.372 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.467 5.833 5.275 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.357 6.088 3.955 1.00 10.00 N ATOM 0 H HIS A 39 9.534 2.913 4.150 1.00 10.00 H new ATOM 0 HA HIS A 39 8.734 5.631 3.742 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.435 3.566 3.215 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.382 3.175 4.923 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.814 4.727 6.472 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.700 5.443 2.320 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.778 6.202 6.021 1.00 10.00 H new ATOM 648 N PRO A 40 8.656 6.693 6.036 1.00 10.00 N ATOM 649 CA PRO A 40 8.873 7.327 7.328 1.00 10.00 C ATOM 650 C PRO A 40 7.755 6.990 8.321 1.00 10.00 C ATOM 651 O PRO A 40 8.022 6.717 9.488 1.00 10.00 O ATOM 652 CB PRO A 40 8.966 8.827 7.035 1.00 10.00 C ATOM 653 CG PRO A 40 8.158 9.004 5.748 1.00 10.00 C ATOM 654 CD PRO A 40 8.370 7.681 5.009 1.00 10.00 C ATOM 0 HA PRO A 40 9.783 6.966 7.808 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.552 9.419 7.851 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.000 9.145 6.904 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.103 9.182 5.957 1.00 10.00 H new ATOM 0 HG3 PRO A 40 8.515 9.852 5.163 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.483 7.406 4.438 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.194 7.757 4.300 1.00 10.00 H new ATOM 662 N GLY A 41 6.495 7.021 7.872 1.00 10.00 N ATOM 663 CA GLY A 41 5.371 6.608 8.699 1.00 10.00 C ATOM 664 C GLY A 41 5.550 5.147 9.113 1.00 10.00 C ATOM 665 O GLY A 41 5.722 4.297 8.241 1.00 10.00 O ATOM 0 H GLY A 41 6.234 7.330 6.936 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.305 7.242 9.583 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.438 6.729 8.149 1.00 10.00 H new ATOM 669 N GLY A 42 5.518 4.882 10.425 1.00 10.00 N ATOM 670 CA GLY A 42 5.811 3.593 11.042 1.00 10.00 C ATOM 671 C GLY A 42 5.279 2.398 10.252 1.00 10.00 C ATOM 672 O GLY A 42 4.095 2.361 9.914 1.00 10.00 O ATOM 0 H GLY A 42 5.276 5.596 11.112 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.890 3.491 11.155 1.00 10.00 H new ATOM 0 HA3 GLY A 42 5.383 3.574 12.044 1.00 10.00 H new ATOM 676 N GLU A 43 6.134 1.396 10.012 1.00 10.00 N ATOM 677 CA GLU A 43 5.762 0.178 9.306 1.00 10.00 C ATOM 678 C GLU A 43 4.468 -0.415 9.864 1.00 10.00 C ATOM 679 O GLU A 43 3.636 -0.884 9.098 1.00 10.00 O ATOM 680 CB GLU A 43 6.906 -0.841 9.348 1.00 10.00 C ATOM 681 CG GLU A 43 7.420 -1.189 10.755 1.00 10.00 C ATOM 682 CD GLU A 43 8.015 -2.592 10.782 1.00 10.00 C ATOM 683 OE1 GLU A 43 7.243 -3.530 10.488 1.00 10.00 O ATOM 684 OE2 GLU A 43 9.216 -2.698 11.105 1.00 10.00 O ATOM 0 H GLU A 43 7.110 1.415 10.308 1.00 10.00 H new ATOM 0 HA GLU A 43 5.577 0.435 8.263 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.572 -1.758 8.863 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.738 -0.454 8.760 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.174 -0.464 11.062 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.602 -1.122 11.473 1.00 10.00 H new ATOM 691 N ALA A 44 4.272 -0.345 11.187 1.00 10.00 N ATOM 692 CA ALA A 44 3.050 -0.765 11.851 1.00 10.00 C ATOM 693 C ALA A 44 1.819 -0.206 11.143 1.00 10.00 C ATOM 694 O ALA A 44 0.886 -0.960 10.879 1.00 10.00 O ATOM 695 CB ALA A 44 3.068 -0.335 13.320 1.00 10.00 C ATOM 0 H ALA A 44 4.978 0.013 11.831 1.00 10.00 H new ATOM 0 HA ALA A 44 2.996 -1.853 11.806 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.146 -0.657 13.805 1.00 10.00 H new ATOM 0 HB2 ALA A 44 3.921 -0.792 13.822 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.150 0.750 13.380 1.00 10.00 H new ATOM 701 N VAL A 45 1.804 1.091 10.812 1.00 10.00 N ATOM 702 CA VAL A 45 0.666 1.649 10.104 1.00 10.00 C ATOM 703 C VAL A 45 0.640 1.134 8.667 1.00 10.00 C ATOM 704 O VAL A 45 -0.430 0.689 8.241 1.00 10.00 O ATOM 705 CB VAL A 45 0.521 3.176 10.263 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.219 3.997 9.172 1.00 10.00 C ATOM 707 CG2 VAL A 45 -0.975 3.531 10.283 1.00 10.00 C ATOM 0 H VAL A 45 2.552 1.753 11.021 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.245 1.285 10.579 1.00 10.00 H new ATOM 0 HB VAL A 45 1.016 3.437 11.199 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.066 5.059 9.362 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.287 3.778 9.178 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.801 3.739 8.199 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.092 4.609 10.395 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.437 3.211 9.349 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.458 3.025 11.119 1.00 10.00 H new ATOM 717 N LEU A 46 1.770 1.113 7.926 1.00 10.00 N ATOM 718 CA LEU A 46 1.712 0.446 6.625 1.00 10.00 C ATOM 719 C LEU A 46 1.163 -0.989 6.701 1.00 10.00 C ATOM 720 O LEU A 46 0.467 -1.417 5.785 1.00 10.00 O ATOM 721 CB LEU A 46 3.070 0.511 5.924 1.00 10.00 C ATOM 722 CG LEU A 46 3.168 1.736 5.008 1.00 10.00 C ATOM 723 CD1 LEU A 46 2.829 3.050 5.716 1.00 10.00 C ATOM 724 CD2 LEU A 46 4.564 1.819 4.388 1.00 10.00 C ATOM 0 H LEU A 46 2.668 1.520 8.187 1.00 10.00 H new ATOM 0 HA LEU A 46 0.991 0.995 6.018 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.865 0.548 6.669 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.223 -0.396 5.339 1.00 10.00 H new ATOM 0 HG LEU A 46 2.420 1.601 4.227 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.918 3.877 5.011 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.808 3.006 6.096 1.00 10.00 H new ATOM 0 HD13 LEU A 46 3.519 3.205 6.546 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.623 2.693 3.739 1.00 10.00 H new ATOM 0 HD22 LEU A 46 5.309 1.904 5.179 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.757 0.919 3.803 1.00 10.00 H new ATOM 736 N ARG A 47 1.441 -1.724 7.780 1.00 10.00 N ATOM 737 CA ARG A 47 1.055 -3.118 7.929 1.00 10.00 C ATOM 738 C ARG A 47 -0.426 -3.193 8.297 1.00 10.00 C ATOM 739 O ARG A 47 -1.183 -3.963 7.718 1.00 10.00 O ATOM 740 CB ARG A 47 1.950 -3.806 8.977 1.00 10.00 C ATOM 741 CG ARG A 47 2.306 -5.260 8.613 1.00 10.00 C ATOM 742 CD ARG A 47 1.123 -6.245 8.608 1.00 10.00 C ATOM 743 NE ARG A 47 1.110 -7.112 9.795 1.00 10.00 N ATOM 744 CZ ARG A 47 0.092 -7.918 10.147 1.00 10.00 C ATOM 745 NH1 ARG A 47 -1.093 -7.825 9.531 1.00 10.00 N ATOM 746 NH2 ARG A 47 0.270 -8.820 11.118 1.00 10.00 N ATOM 0 H ARG A 47 1.949 -1.356 8.584 1.00 10.00 H new ATOM 0 HA ARG A 47 1.196 -3.650 6.988 1.00 10.00 H new ATOM 0 HB2 ARG A 47 2.869 -3.232 9.093 1.00 10.00 H new ATOM 0 HB3 ARG A 47 1.443 -3.794 9.942 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.768 -5.267 7.626 1.00 10.00 H new ATOM 0 HG3 ARG A 47 3.055 -5.621 9.318 1.00 10.00 H new ATOM 0 HD2 ARG A 47 0.189 -5.686 8.560 1.00 10.00 H new ATOM 0 HD3 ARG A 47 1.172 -6.862 7.711 1.00 10.00 H new ATOM 0 HE ARG A 47 1.934 -7.102 10.396 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -1.229 -7.139 8.788 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.859 -8.440 9.804 1.00 10.00 H new ATOM 0 HH21 ARG A 47 1.173 -8.894 11.586 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.497 -9.434 11.390 1.00 10.00 H new ATOM 760 N ALA A 48 -0.860 -2.398 9.269 1.00 10.00 N ATOM 761 CA ALA A 48 -2.225 -2.433 9.765 1.00 10.00 C ATOM 762 C ALA A 48 -3.214 -2.046 8.666 1.00 10.00 C ATOM 763 O ALA A 48 -4.282 -2.640 8.556 1.00 10.00 O ATOM 764 CB ALA A 48 -2.328 -1.507 10.972 1.00 10.00 C ATOM 0 H ALA A 48 -0.270 -1.709 9.735 1.00 10.00 H new ATOM 0 HA ALA A 48 -2.483 -3.446 10.073 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.348 -1.522 11.356 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.642 -1.845 11.749 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.068 -0.491 10.675 1.00 10.00 H new ATOM 770 N GLN A 49 -2.846 -1.062 7.842 1.00 10.00 N ATOM 771 CA GLN A 49 -3.603 -0.686 6.662 1.00 10.00 C ATOM 772 C GLN A 49 -3.320 -1.614 5.472 1.00 10.00 C ATOM 773 O GLN A 49 -3.972 -1.500 4.433 1.00 10.00 O ATOM 774 CB GLN A 49 -3.226 0.758 6.341 1.00 10.00 C ATOM 775 CG GLN A 49 -3.888 1.743 7.316 1.00 10.00 C ATOM 776 CD GLN A 49 -5.404 1.737 7.171 1.00 10.00 C ATOM 777 OE1 GLN A 49 -5.915 1.996 6.090 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.137 1.455 8.243 1.00 10.00 N ATOM 0 H GLN A 49 -2.005 -0.503 7.983 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.672 -0.779 6.855 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.143 0.871 6.387 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.528 0.996 5.321 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.618 1.481 8.339 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.508 2.748 7.134 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.682 1.243 9.131 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.155 1.451 8.178 1.00 10.00 H new ATOM 787 N ALA A 50 -2.358 -2.532 5.596 1.00 10.00 N ATOM 788 CA ALA A 50 -2.141 -3.540 4.573 1.00 10.00 C ATOM 789 C ALA A 50 -3.387 -4.405 4.422 1.00 10.00 C ATOM 790 O ALA A 50 -4.187 -4.538 5.347 1.00 10.00 O ATOM 791 CB ALA A 50 -0.927 -4.426 4.864 1.00 10.00 C ATOM 0 H ALA A 50 -1.724 -2.592 6.393 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.938 -3.011 3.642 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.813 -5.161 4.067 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.031 -3.808 4.919 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.072 -4.941 5.814 1.00 10.00 H new ATOM 797 N GLY A 51 -3.524 -5.026 3.256 1.00 10.00 N ATOM 798 CA GLY A 51 -4.522 -6.044 2.999 1.00 10.00 C ATOM 799 C GLY A 51 -5.375 -5.672 1.797 1.00 10.00 C ATOM 800 O GLY A 51 -5.712 -6.536 0.995 1.00 10.00 O ATOM 0 H GLY A 51 -2.930 -4.828 2.451 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.033 -7.002 2.821 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -5.156 -6.168 3.877 1.00 10.00 H new ATOM 804 N GLY A 52 -5.708 -4.386 1.655 1.00 10.00 N ATOM 805 CA GLY A 52 -6.483 -3.902 0.523 1.00 10.00 C ATOM 806 C GLY A 52 -7.694 -3.089 0.953 1.00 10.00 C ATOM 807 O GLY A 52 -8.801 -3.359 0.500 1.00 10.00 O ATOM 0 H GLY A 52 -5.447 -3.659 2.321 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.846 -3.289 -0.115 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.813 -4.750 -0.077 1.00 10.00 H new ATOM 811 N ASP A 53 -7.472 -2.064 1.780 1.00 10.00 N ATOM 812 CA ASP A 53 -8.485 -1.066 2.095 1.00 10.00 C ATOM 813 C ASP A 53 -7.810 0.099 2.814 1.00 10.00 C ATOM 814 O ASP A 53 -7.962 0.269 4.021 1.00 10.00 O ATOM 815 CB ASP A 53 -9.620 -1.659 2.944 1.00 10.00 C ATOM 816 CG ASP A 53 -10.761 -0.663 3.122 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.702 0.410 2.477 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.690 -1.007 3.883 1.00 10.00 O ATOM 0 H ASP A 53 -6.580 -1.907 2.249 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.942 -0.713 1.170 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.997 -2.565 2.469 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -9.232 -1.949 3.921 1.00 10.00 H new ATOM 823 N ALA A 54 -6.992 0.861 2.081 1.00 10.00 N ATOM 824 CA ALA A 54 -6.254 1.978 2.659 1.00 10.00 C ATOM 825 C ALA A 54 -6.349 3.220 1.786 1.00 10.00 C ATOM 826 O ALA A 54 -5.564 4.147 1.959 1.00 10.00 O ATOM 827 CB ALA A 54 -4.798 1.568 2.874 1.00 10.00 C ATOM 0 H ALA A 54 -6.827 0.720 1.084 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.700 2.231 3.621 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.245 2.402 3.306 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.756 0.715 3.552 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.352 1.294 1.918 1.00 10.00 H new ATOM 833 N THR A 55 -7.300 3.255 0.851 1.00 10.00 N ATOM 834 CA THR A 55 -7.456 4.387 -0.045 1.00 10.00 C ATOM 835 C THR A 55 -7.753 5.647 0.775 1.00 10.00 C ATOM 836 O THR A 55 -7.007 6.625 0.708 1.00 10.00 O ATOM 837 CB THR A 55 -8.525 4.054 -1.097 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.146 2.912 -1.850 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.669 5.203 -2.090 1.00 10.00 C ATOM 0 H THR A 55 -7.974 2.505 0.699 1.00 10.00 H new ATOM 0 HA THR A 55 -6.537 4.592 -0.594 1.00 10.00 H new ATOM 0 HB THR A 55 -9.458 3.876 -0.563 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.461 2.410 -1.361 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.430 4.952 -2.829 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.963 6.108 -1.559 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.717 5.371 -2.593 1.00 10.00 H new ATOM 847 N ALA A 56 -8.814 5.596 1.586 1.00 10.00 N ATOM 848 CA ALA A 56 -9.230 6.720 2.414 1.00 10.00 C ATOM 849 C ALA A 56 -8.131 7.099 3.409 1.00 10.00 C ATOM 850 O ALA A 56 -7.838 8.268 3.617 1.00 10.00 O ATOM 851 CB ALA A 56 -10.541 6.378 3.129 1.00 10.00 C ATOM 0 H ALA A 56 -9.406 4.771 1.683 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.402 7.588 1.777 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.849 7.221 3.747 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.314 6.168 2.390 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.394 5.501 3.759 1.00 10.00 H new ATOM 857 N ASN A 57 -7.490 6.108 4.026 1.00 10.00 N ATOM 858 CA ASN A 57 -6.415 6.363 4.976 1.00 10.00 C ATOM 859 C ASN A 57 -5.253 7.086 4.289 1.00 10.00 C ATOM 860 O ASN A 57 -4.790 8.119 4.764 1.00 10.00 O ATOM 861 CB ASN A 57 -5.969 5.048 5.633 1.00 10.00 C ATOM 862 CG ASN A 57 -6.225 5.062 7.137 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.203 4.501 7.618 1.00 10.00 O ATOM 864 ND2 ASN A 57 -5.353 5.712 7.903 1.00 10.00 N ATOM 0 H ASN A 57 -7.699 5.120 3.883 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.781 7.019 5.766 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.503 4.213 5.179 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.908 4.887 5.445 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -5.491 5.751 8.913 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.546 6.171 7.480 1.00 10.00 H new ATOM 871 N PHE A 58 -4.779 6.543 3.167 1.00 10.00 N ATOM 872 CA PHE A 58 -3.695 7.112 2.377 1.00 10.00 C ATOM 873 C PHE A 58 -3.974 8.568 2.002 1.00 10.00 C ATOM 874 O PHE A 58 -3.120 9.441 2.200 1.00 10.00 O ATOM 875 CB PHE A 58 -3.511 6.270 1.111 1.00 10.00 C ATOM 876 CG PHE A 58 -2.540 6.852 0.104 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.160 6.673 0.282 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.015 7.554 -1.020 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.254 7.161 -0.675 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.109 8.054 -1.971 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.728 7.853 -1.802 1.00 10.00 C ATOM 0 H PHE A 58 -5.149 5.676 2.777 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.784 7.099 2.975 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.165 5.277 1.398 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.481 6.143 0.630 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.793 6.158 1.158 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.076 7.708 -1.152 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.806 7.004 -0.544 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.474 8.593 -2.833 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.033 8.230 -2.537 1.00 10.00 H new ATOM 891 N GLU A 59 -5.153 8.816 1.417 1.00 10.00 N ATOM 892 CA GLU A 59 -5.503 10.151 0.969 1.00 10.00 C ATOM 893 C GLU A 59 -5.671 11.088 2.172 1.00 10.00 C ATOM 894 O GLU A 59 -5.135 12.194 2.160 1.00 10.00 O ATOM 895 CB GLU A 59 -6.665 10.110 -0.036 1.00 10.00 C ATOM 896 CG GLU A 59 -8.024 9.723 0.552 1.00 10.00 C ATOM 897 CD GLU A 59 -8.802 10.906 1.116 1.00 10.00 C ATOM 898 OE1 GLU A 59 -8.900 11.914 0.384 1.00 10.00 O ATOM 899 OE2 GLU A 59 -9.299 10.772 2.253 1.00 10.00 O ATOM 0 H GLU A 59 -5.869 8.109 1.248 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.687 10.590 0.395 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -6.755 11.091 -0.502 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.415 9.403 -0.827 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.622 9.241 -0.222 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.873 8.988 1.342 1.00 10.00 H new ATOM 906 N ALA A 60 -6.332 10.617 3.236 1.00 10.00 N ATOM 907 CA ALA A 60 -6.508 11.358 4.478 1.00 10.00 C ATOM 908 C ALA A 60 -5.168 11.788 5.076 1.00 10.00 C ATOM 909 O ALA A 60 -5.028 12.933 5.500 1.00 10.00 O ATOM 910 CB ALA A 60 -7.302 10.521 5.486 1.00 10.00 C ATOM 0 H ALA A 60 -6.765 9.694 3.252 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.069 12.264 4.248 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.427 11.086 6.410 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.281 10.284 5.071 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.764 9.597 5.696 1.00 10.00 H new ATOM 916 N VAL A 61 -4.189 10.878 5.132 1.00 10.00 N ATOM 917 CA VAL A 61 -2.842 11.214 5.583 1.00 10.00 C ATOM 918 C VAL A 61 -2.291 12.364 4.735 1.00 10.00 C ATOM 919 O VAL A 61 -1.823 13.362 5.278 1.00 10.00 O ATOM 920 CB VAL A 61 -1.929 9.978 5.511 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.457 10.351 5.712 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.297 8.942 6.583 1.00 10.00 C ATOM 0 H VAL A 61 -4.310 9.900 4.868 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.877 11.537 6.623 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.074 9.556 4.517 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.157 9.452 5.655 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.150 11.051 4.935 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.330 10.816 6.690 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.631 8.083 6.502 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.194 9.389 7.572 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.327 8.618 6.437 1.00 10.00 H new ATOM 932 N GLY A 62 -2.332 12.206 3.409 1.00 10.00 N ATOM 933 CA GLY A 62 -1.804 13.193 2.480 1.00 10.00 C ATOM 934 C GLY A 62 -0.446 12.744 1.950 1.00 10.00 C ATOM 935 O GLY A 62 0.384 12.234 2.697 1.00 10.00 O ATOM 0 H GLY A 62 -2.734 11.386 2.955 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -2.498 13.331 1.651 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -1.707 14.157 2.979 1.00 10.00 H new ATOM 939 N HIS A 63 -0.249 12.896 0.639 1.00 10.00 N ATOM 940 CA HIS A 63 0.896 12.384 -0.092 1.00 10.00 C ATOM 941 C HIS A 63 1.064 13.284 -1.329 1.00 10.00 C ATOM 942 O HIS A 63 0.168 13.322 -2.174 1.00 10.00 O ATOM 943 CB HIS A 63 0.615 10.909 -0.447 1.00 10.00 C ATOM 944 CG HIS A 63 0.749 9.940 0.718 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.236 9.488 1.579 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.906 9.308 1.077 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.342 8.615 2.433 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.651 8.453 2.159 1.00 10.00 N ATOM 0 H HIS A 63 -0.908 13.397 0.043 1.00 10.00 H new ATOM 0 HA HIS A 63 1.824 12.404 0.479 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.394 10.832 -0.852 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.300 10.603 -1.238 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.218 9.763 1.570 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.866 9.445 0.602 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.179 8.111 3.234 1.00 10.00 H new ATOM 956 N SER A 64 2.153 14.063 -1.404 1.00 10.00 N ATOM 957 CA SER A 64 2.385 15.060 -2.452 1.00 10.00 C ATOM 958 C SER A 64 2.591 14.435 -3.840 1.00 10.00 C ATOM 959 O SER A 64 2.603 13.218 -3.986 1.00 10.00 O ATOM 960 CB SER A 64 3.595 15.911 -2.047 1.00 10.00 C ATOM 961 OG SER A 64 3.401 16.405 -0.739 1.00 10.00 O ATOM 0 H SER A 64 2.911 14.014 -0.723 1.00 10.00 H new ATOM 0 HA SER A 64 1.494 15.681 -2.540 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.506 15.313 -2.091 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.722 16.738 -2.745 1.00 10.00 H new ATOM 0 HG SER A 64 4.173 16.948 -0.476 1.00 10.00 H new ATOM 967 N THR A 65 2.774 15.265 -4.874 1.00 10.00 N ATOM 968 CA THR A 65 2.985 14.825 -6.250 1.00 10.00 C ATOM 969 C THR A 65 4.071 13.753 -6.332 1.00 10.00 C ATOM 970 O THR A 65 3.826 12.650 -6.814 1.00 10.00 O ATOM 971 CB THR A 65 3.352 16.044 -7.107 1.00 10.00 C ATOM 972 OG1 THR A 65 4.418 16.737 -6.483 1.00 10.00 O ATOM 973 CG2 THR A 65 2.171 17.012 -7.242 1.00 10.00 C ATOM 0 H THR A 65 2.779 16.280 -4.771 1.00 10.00 H new ATOM 0 HA THR A 65 2.066 14.375 -6.627 1.00 10.00 H new ATOM 0 HB THR A 65 3.632 15.689 -8.099 1.00 10.00 H new ATOM 0 HG1 THR A 65 4.662 17.517 -7.024 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.467 17.863 -7.855 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.332 16.499 -7.713 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.873 17.363 -6.254 1.00 10.00 H new ATOM 981 N ASP A 66 5.259 14.081 -5.827 1.00 10.00 N ATOM 982 CA ASP A 66 6.402 13.180 -5.783 1.00 10.00 C ATOM 983 C ASP A 66 5.995 11.815 -5.221 1.00 10.00 C ATOM 984 O ASP A 66 6.276 10.778 -5.812 1.00 10.00 O ATOM 985 CB ASP A 66 7.512 13.828 -4.938 1.00 10.00 C ATOM 986 CG ASP A 66 8.891 13.561 -5.523 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.098 13.976 -6.683 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.714 12.970 -4.793 1.00 10.00 O ATOM 0 H ASP A 66 5.455 15.000 -5.430 1.00 10.00 H new ATOM 0 HA ASP A 66 6.777 13.011 -6.792 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.344 14.903 -4.878 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.467 13.441 -3.920 1.00 10.00 H new ATOM 993 N ALA A 67 5.265 11.817 -4.103 1.00 10.00 N ATOM 994 CA ALA A 67 4.747 10.605 -3.477 1.00 10.00 C ATOM 995 C ALA A 67 3.727 9.887 -4.381 1.00 10.00 C ATOM 996 O ALA A 67 3.766 8.664 -4.506 1.00 10.00 O ATOM 997 CB ALA A 67 4.124 10.956 -2.123 1.00 10.00 C ATOM 0 H ALA A 67 5.016 12.671 -3.604 1.00 10.00 H new ATOM 0 HA ALA A 67 5.577 9.915 -3.324 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.737 10.051 -1.655 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.882 11.402 -1.479 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.309 11.665 -2.270 1.00 10.00 H new ATOM 1003 N ARG A 68 2.811 10.638 -5.005 1.00 10.00 N ATOM 1004 CA ARG A 68 1.794 10.132 -5.932 1.00 10.00 C ATOM 1005 C ARG A 68 2.431 9.523 -7.189 1.00 10.00 C ATOM 1006 O ARG A 68 1.824 8.677 -7.844 1.00 10.00 O ATOM 1007 CB ARG A 68 0.818 11.257 -6.326 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.080 11.687 -5.157 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.798 13.020 -5.427 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.797 12.934 -6.509 1.00 10.00 N ATOM 1011 CZ ARG A 68 -3.052 12.475 -6.366 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -3.433 11.932 -5.205 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.921 12.563 -7.382 1.00 10.00 N ATOM 0 H ARG A 68 2.757 11.648 -4.873 1.00 10.00 H new ATOM 0 HA ARG A 68 1.243 9.344 -5.419 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.384 12.118 -6.682 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.195 10.921 -7.155 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.821 10.911 -4.967 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.523 11.779 -4.254 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -1.290 13.352 -4.513 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.058 13.778 -5.684 1.00 10.00 H new ATOM 0 HE ARG A 68 -1.513 13.247 -7.437 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -2.772 11.867 -4.431 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -4.385 11.583 -5.093 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -3.631 12.979 -8.267 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.873 12.214 -7.271 1.00 10.00 H new ATOM 1027 N GLU A 69 3.633 9.972 -7.550 1.00 10.00 N ATOM 1028 CA GLU A 69 4.413 9.390 -8.631 1.00 10.00 C ATOM 1029 C GLU A 69 5.165 8.165 -8.114 1.00 10.00 C ATOM 1030 O GLU A 69 5.133 7.097 -8.723 1.00 10.00 O ATOM 1031 CB GLU A 69 5.329 10.466 -9.219 1.00 10.00 C ATOM 1032 CG GLU A 69 4.585 11.276 -10.294 1.00 10.00 C ATOM 1033 CD GLU A 69 4.572 10.597 -11.664 1.00 10.00 C ATOM 1034 OE1 GLU A 69 3.738 9.680 -11.851 1.00 10.00 O ATOM 1035 OE2 GLU A 69 5.371 11.033 -12.518 1.00 10.00 O ATOM 0 H GLU A 69 4.093 10.759 -7.092 1.00 10.00 H new ATOM 0 HA GLU A 69 3.770 9.041 -9.439 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.674 11.131 -8.427 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.214 10.001 -9.653 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.558 11.441 -9.968 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.051 12.257 -10.387 1.00 10.00 H new ATOM 1042 N LEU A 70 5.808 8.292 -6.954 1.00 10.00 N ATOM 1043 CA LEU A 70 6.522 7.201 -6.316 1.00 10.00 C ATOM 1044 C LEU A 70 5.604 5.979 -6.210 1.00 10.00 C ATOM 1045 O LEU A 70 5.957 4.898 -6.674 1.00 10.00 O ATOM 1046 CB LEU A 70 7.074 7.687 -4.971 1.00 10.00 C ATOM 1047 CG LEU A 70 7.948 6.727 -4.148 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.276 5.407 -4.823 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.217 7.397 -3.623 1.00 10.00 C ATOM 0 H LEU A 70 5.845 9.166 -6.430 1.00 10.00 H new ATOM 0 HA LEU A 70 7.379 6.883 -6.910 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.657 8.589 -5.158 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.227 7.979 -4.351 1.00 10.00 H new ATOM 0 HG LEU A 70 7.312 6.469 -3.301 1.00 10.00 H new ATOM 0 HD11 LEU A 70 8.896 4.803 -4.160 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.352 4.872 -5.043 1.00 10.00 H new ATOM 0 HD13 LEU A 70 8.815 5.597 -5.751 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.798 6.676 -3.049 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.812 7.757 -4.462 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.947 8.237 -2.983 1.00 10.00 H new ATOM 1061 N SER A 71 4.403 6.146 -5.654 1.00 10.00 N ATOM 1062 CA SER A 71 3.395 5.092 -5.620 1.00 10.00 C ATOM 1063 C SER A 71 3.329 4.349 -6.955 1.00 10.00 C ATOM 1064 O SER A 71 3.477 3.134 -6.975 1.00 10.00 O ATOM 1065 CB SER A 71 2.032 5.642 -5.184 1.00 10.00 C ATOM 1066 OG SER A 71 1.456 6.513 -6.129 1.00 10.00 O ATOM 0 H SER A 71 4.104 7.017 -5.215 1.00 10.00 H new ATOM 0 HA SER A 71 3.691 4.360 -4.868 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.352 4.809 -5.006 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.146 6.169 -4.237 1.00 10.00 H new ATOM 0 HG SER A 71 2.160 7.047 -6.553 1.00 10.00 H new ATOM 1072 N LYS A 72 3.171 5.057 -8.076 1.00 10.00 N ATOM 1073 CA LYS A 72 3.134 4.426 -9.392 1.00 10.00 C ATOM 1074 C LYS A 72 4.382 3.570 -9.656 1.00 10.00 C ATOM 1075 O LYS A 72 4.273 2.478 -10.205 1.00 10.00 O ATOM 1076 CB LYS A 72 2.954 5.474 -10.491 1.00 10.00 C ATOM 1077 CG LYS A 72 1.605 6.190 -10.376 1.00 10.00 C ATOM 1078 CD LYS A 72 1.573 7.301 -11.427 1.00 10.00 C ATOM 1079 CE LYS A 72 0.147 7.624 -11.875 1.00 10.00 C ATOM 1080 NZ LYS A 72 0.166 8.574 -13.004 1.00 10.00 N ATOM 0 H LYS A 72 3.066 6.071 -8.095 1.00 10.00 H new ATOM 0 HA LYS A 72 2.274 3.757 -9.405 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.760 6.205 -10.432 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.029 4.994 -11.467 1.00 10.00 H new ATOM 0 HG2 LYS A 72 0.786 5.489 -10.536 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.478 6.606 -9.377 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.037 8.199 -11.020 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.165 7.000 -12.291 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.365 6.708 -12.171 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.415 8.049 -11.043 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -0.809 8.784 -13.297 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.636 9.454 -12.710 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 0.685 8.155 -13.802 1.00 10.00 H new ATOM 1094 N THR A 73 5.562 4.017 -9.229 1.00 10.00 N ATOM 1095 CA THR A 73 6.787 3.219 -9.291 1.00 10.00 C ATOM 1096 C THR A 73 6.668 1.907 -8.496 1.00 10.00 C ATOM 1097 O THR A 73 7.313 0.922 -8.849 1.00 10.00 O ATOM 1098 CB THR A 73 8.010 4.087 -8.912 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.568 4.651 -10.081 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.115 3.358 -8.140 1.00 10.00 C ATOM 0 H THR A 73 5.696 4.946 -8.829 1.00 10.00 H new ATOM 0 HA THR A 73 6.945 2.894 -10.319 1.00 10.00 H new ATOM 0 HB THR A 73 7.622 4.847 -8.234 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.342 5.202 -9.841 1.00 10.00 H new ATOM 0 HG21 THR A 73 9.926 4.053 -7.923 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.710 2.969 -7.206 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.496 2.533 -8.742 1.00 10.00 H new ATOM 1108 N PHE A 74 5.829 1.874 -7.459 1.00 10.00 N ATOM 1109 CA PHE A 74 5.511 0.672 -6.689 1.00 10.00 C ATOM 1110 C PHE A 74 4.238 -0.011 -7.181 1.00 10.00 C ATOM 1111 O PHE A 74 3.799 -0.983 -6.562 1.00 10.00 O ATOM 1112 CB PHE A 74 5.342 1.010 -5.201 1.00 10.00 C ATOM 1113 CG PHE A 74 6.638 1.158 -4.446 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.511 0.059 -4.349 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.905 2.332 -3.724 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.687 0.156 -3.591 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.093 2.437 -2.986 1.00 10.00 C ATOM 1118 CZ PHE A 74 8.983 1.351 -2.920 1.00 10.00 C ATOM 0 H PHE A 74 5.340 2.704 -7.124 1.00 10.00 H new ATOM 0 HA PHE A 74 6.348 -0.013 -6.828 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.776 1.938 -5.113 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.747 0.228 -4.728 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.275 -0.863 -4.860 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.200 3.150 -3.737 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.361 -0.685 -3.525 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.325 3.355 -2.467 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.897 1.437 -2.351 1.00 10.00 H new ATOM 1128 N ILE A 75 3.612 0.485 -8.252 1.00 10.00 N ATOM 1129 CA ILE A 75 2.419 -0.166 -8.756 1.00 10.00 C ATOM 1130 C ILE A 75 2.799 -1.583 -9.180 1.00 10.00 C ATOM 1131 O ILE A 75 3.745 -1.777 -9.941 1.00 10.00 O ATOM 1132 CB ILE A 75 1.750 0.655 -9.868 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.233 0.548 -9.700 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.213 0.268 -11.277 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.513 1.284 -10.802 1.00 10.00 C ATOM 0 H ILE A 75 3.908 1.313 -8.769 1.00 10.00 H new ATOM 0 HA ILE A 75 1.660 -0.233 -7.976 1.00 10.00 H new ATOM 0 HB ILE A 75 2.058 1.695 -9.764 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.059 -0.502 -9.702 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.055 0.957 -8.731 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.700 0.888 -12.012 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.289 0.421 -11.361 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.980 -0.781 -11.461 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.587 1.183 -10.645 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.241 2.339 -10.783 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.246 0.858 -11.769 1.00 10.00 H new ATOM 1147 N ILE A 76 2.078 -2.575 -8.669 1.00 10.00 N ATOM 1148 CA ILE A 76 2.269 -3.963 -9.069 1.00 10.00 C ATOM 1149 C ILE A 76 1.169 -4.380 -10.040 1.00 10.00 C ATOM 1150 O ILE A 76 1.330 -5.345 -10.783 1.00 10.00 O ATOM 1151 CB ILE A 76 2.385 -4.873 -7.834 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.330 -4.513 -6.776 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.810 -4.742 -7.269 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.240 -5.532 -5.644 1.00 10.00 C ATOM 0 H ILE A 76 1.348 -2.440 -7.969 1.00 10.00 H new ATOM 0 HA ILE A 76 3.213 -4.070 -9.604 1.00 10.00 H new ATOM 0 HB ILE A 76 2.198 -5.908 -8.121 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.564 -3.534 -6.357 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.356 -4.428 -7.258 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.914 -5.380 -6.391 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.531 -5.047 -8.027 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.996 -3.705 -6.988 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.477 -5.218 -4.932 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.976 -6.507 -6.053 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.203 -5.599 -5.138 1.00 10.00 H new ATOM 1166 N GLY A 77 0.061 -3.637 -10.065 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.063 -3.912 -10.925 1.00 10.00 C ATOM 1168 C GLY A 77 -2.278 -3.219 -10.343 1.00 10.00 C ATOM 1169 O GLY A 77 -2.155 -2.249 -9.590 1.00 10.00 O ATOM 0 H GLY A 77 -0.070 -2.816 -9.474 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.867 -3.553 -11.935 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.235 -4.986 -10.996 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.448 -3.741 -10.691 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.720 -3.124 -10.391 1.00 10.00 C ATOM 1175 C GLU A 78 -5.617 -4.061 -9.592 1.00 10.00 C ATOM 1176 O GLU A 78 -5.337 -5.245 -9.400 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.364 -2.615 -11.689 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.112 -1.111 -11.855 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.603 -0.541 -13.180 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -6.461 -1.196 -13.811 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.127 0.568 -13.511 1.00 10.00 O ATOM 0 H GLU A 78 -3.533 -4.621 -11.199 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.564 -2.258 -9.747 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.954 -3.155 -12.542 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.436 -2.811 -11.672 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.602 -0.579 -11.039 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.043 -0.920 -11.764 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.701 -3.490 -9.087 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.712 -4.230 -8.365 1.00 10.00 C ATOM 1190 C LEU A 79 -8.560 -5.016 -9.366 1.00 10.00 C ATOM 1191 O LEU A 79 -9.066 -4.456 -10.350 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.559 -3.233 -7.581 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.818 -3.870 -6.983 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.534 -4.665 -5.705 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.845 -2.773 -6.746 1.00 10.00 C ATOM 0 H LEU A 79 -6.900 -2.493 -9.170 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.265 -4.939 -7.668 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.958 -2.803 -6.780 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.848 -2.413 -8.238 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.210 -4.600 -7.692 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.463 -5.092 -5.328 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.829 -5.467 -5.924 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.108 -4.003 -4.952 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.749 -3.207 -6.320 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.437 -2.035 -6.055 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.086 -2.289 -7.693 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.759 -6.303 -9.066 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.585 -7.200 -9.863 1.00 10.00 C ATOM 1209 C HIS A 80 -10.955 -6.579 -10.136 1.00 10.00 C ATOM 1210 O HIS A 80 -11.575 -6.020 -9.232 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.725 -8.551 -9.150 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.879 -9.721 -10.082 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.053 -10.351 -10.411 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.865 -10.378 -10.727 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.759 -11.346 -11.259 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.437 -11.399 -11.490 1.00 10.00 N ATOM 0 H HIS A 80 -8.343 -6.752 -8.250 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.100 -7.363 -10.825 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.848 -8.712 -8.523 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.589 -8.512 -8.486 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.812 -10.148 -10.658 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.486 -12.014 -11.697 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.948 -12.054 -12.101 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.464 -6.675 -11.369 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.775 -6.143 -11.692 1.00 10.00 C ATOM 1226 C PRO A 81 -13.901 -6.883 -10.957 1.00 10.00 C ATOM 1227 O PRO A 81 -15.012 -6.368 -10.910 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.885 -6.239 -13.213 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.931 -7.377 -13.584 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.838 -7.293 -12.526 1.00 10.00 C ATOM 0 HA PRO A 81 -12.886 -5.111 -11.359 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.906 -6.457 -13.526 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.597 -5.304 -13.694 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.434 -8.344 -13.564 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.527 -7.249 -14.588 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.452 -8.282 -12.281 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.995 -6.700 -12.879 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.623 -8.055 -10.369 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.608 -8.800 -9.584 1.00 10.00 C ATOM 1240 C ASP A 82 -14.957 -8.062 -8.285 1.00 10.00 C ATOM 1241 O ASP A 82 -16.094 -8.099 -7.826 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.063 -10.201 -9.284 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.099 -11.074 -8.593 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.983 -11.574 -9.319 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.944 -11.267 -7.369 1.00 10.00 O ATOM 0 H ASP A 82 -12.711 -8.509 -10.426 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.527 -8.887 -10.164 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.749 -10.676 -10.214 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.178 -10.119 -8.653 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.959 -7.389 -7.703 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.099 -6.648 -6.454 1.00 10.00 C ATOM 1252 C ASP A 83 -15.039 -5.442 -6.601 1.00 10.00 C ATOM 1253 O ASP A 83 -15.805 -5.139 -5.688 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.704 -6.207 -6.005 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.746 -5.378 -4.731 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.998 -4.159 -4.834 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.472 -5.981 -3.676 1.00 10.00 O ATOM 0 H ASP A 83 -13.019 -7.346 -8.096 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.551 -7.294 -5.702 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.081 -7.087 -5.844 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.235 -5.626 -6.799 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.931 -4.749 -7.741 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.599 -3.478 -8.008 1.00 10.00 C ATOM 1264 C ARG A 84 -17.124 -3.555 -7.881 1.00 10.00 C ATOM 1265 O ARG A 84 -17.704 -2.516 -7.491 1.00 10.00 O ATOM 1266 CB ARG A 84 -15.236 -2.967 -9.416 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.646 -1.557 -9.412 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.181 -1.592 -8.971 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.306 -2.347 -9.893 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.798 -1.873 -11.041 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -12.215 -0.684 -11.499 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.881 -2.580 -11.716 1.00 10.00 N ATOM 0 H ARG A 84 -14.359 -5.070 -8.523 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.243 -2.785 -7.246 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.520 -3.652 -9.871 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -16.129 -2.978 -10.041 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.722 -1.121 -10.408 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.219 -0.918 -8.740 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.811 -0.570 -8.886 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.119 -2.037 -7.978 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.069 -3.305 -9.636 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.910 -0.151 -10.976 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.837 -0.312 -12.370 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.567 -3.482 -11.357 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.497 -2.216 -12.588 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 3.015 7.251 3.013 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.362 9.967 4.652 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.089 7.759 0.297 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.458 4.588 1.339 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.941 6.634 5.785 1.00 10.00 C HETATM 1292 NA HEM A 201 4.474 8.601 2.564 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.820 9.652 3.362 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.754 10.462 2.616 1.00 10.00 C HETATM 1295 C3A HEM A 201 6.009 9.815 1.423 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.176 8.636 1.388 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.931 10.274 0.316 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.204 11.847 3.030 1.00 10.00 C HETATM 1299 CBA HEM A 201 5.030 12.827 3.210 1.00 10.00 C HETATM 1300 CGA HEM A 201 5.099 13.997 2.236 1.00 10.00 C HETATM 1301 O1A HEM A 201 5.094 13.718 1.016 1.00 10.00 O HETATM 1302 O2A HEM A 201 5.160 15.144 2.727 1.00 10.00 O HETATM 1303 NB HEM A 201 3.263 6.314 1.191 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.170 6.708 0.232 1.00 10.00 C HETATM 1305 C2B HEM A 201 3.992 5.851 -0.919 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.971 4.991 -0.604 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.509 5.265 0.728 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.777 5.885 -2.205 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.337 3.991 -1.543 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.356 4.339 -2.390 1.00 10.00 C HETATM 1311 NC HEM A 201 1.469 5.877 3.468 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.996 4.898 2.614 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.121 4.247 3.263 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.242 4.845 4.488 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.767 5.857 4.642 1.00 10.00 C HETATM 1316 CMC HEM A 201 -1.033 3.171 2.721 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.289 4.492 5.515 1.00 10.00 C HETATM 1318 CBC HEM A 201 -1.087 3.380 6.246 1.00 10.00 C HETATM 1319 ND HEM A 201 2.706 8.143 4.893 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.864 7.675 5.867 1.00 10.00 C HETATM 1321 C2D HEM A 201 2.110 8.452 7.057 1.00 10.00 C HETATM 1322 C3D HEM A 201 3.069 9.387 6.743 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.423 9.202 5.352 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.442 8.276 8.401 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.698 10.357 7.714 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.870 11.626 7.925 1.00 10.00 C HETATM 1327 CGD HEM A 201 3.630 12.846 7.433 1.00 10.00 C HETATM 1328 O1D HEM A 201 4.642 13.175 8.089 1.00 10.00 O HETATM 1329 O2D HEM A 201 3.208 13.400 6.398 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.014 11.361 0.338 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 6.528 9.961 -0.647 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 7.917 9.832 0.457 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.116 6.903 -2.397 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.143 5.552 -3.027 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.640 5.225 -2.122 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.386 2.546 3.541 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.486 2.556 2.006 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.886 3.633 2.224 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 0.433 7.890 8.258 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.394 9.238 8.912 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 2.017 7.573 9.004 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 0.920 3.593 -3.055 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 0.995 5.367 -2.413 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -1.816 3.084 7.001 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -0.195 2.776 6.083 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 5.030 13.207 4.232 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 4.090 12.294 3.068 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 6.889 12.241 2.279 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.761 11.779 3.964 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 2.632 11.740 8.983 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 1.923 11.542 7.393 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.688 10.634 7.350 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.839 9.860 8.674 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.758 10.851 5.131 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.765 7.903 -0.533 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.979 3.785 0.799 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.331 6.419 6.650 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.686 2.958 -1.532 1.00 10.00 H new HETATM 0 HAC HEM A 201 -2.173 5.112 5.659 1.00 10.00 H new