USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 659 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 49 GLN : amide:sc= 1.82 K(o=2.6,f=-4.4) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.27 K(o=2.6,f=-2.7!) USER MOD Set 1.3: A 61 HIS : no HE2:sc= 0.567 K(o=2.6,f=-0.73!) USER MOD Set 1.4: A 201 HEM CMD :methyl -30:sc= -0.0536 (180deg=-0.538) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -1.43 K(o=-0.13,f=-6.6!) USER MOD Set 2.2: A 30 TYR OH : rot 53:sc= 1.3 USER MOD Set 3.1: A 17 ASN : amide:sc= 1 K(o=1.7,f=-2.2!) USER MOD Set 3.2: A 18 SER OG : rot -80:sc= 0.714 USER MOD Set 4.1: A 15 HIS : no HE2:sc= 0.446 K(o=1.4,f=-14!) USER MOD Set 4.2: A 19 LYS NZ :NH3+ 163:sc= 0.992 (180deg=-0.769!) USER MOD Set 5.1: A 5 LYS NZ :NH3+ -175:sc= 1.27 (180deg=0) USER MOD Set 5.2: A 7 TYR OH : rot 132:sc= 2.29 USER MOD Single : A 6 TYR OH : rot 73:sc= 1.2 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 13 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.087) USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= 1.59 (180deg=0.655!) USER MOD Single : A 16 ASN : amide:sc= -0.427 K(o=-0.43,f=-3.2!) USER MOD Single : A 20 SER OG : rot 82:sc= 0.873 USER MOD Single : A 21 THR OG1 : rot 12:sc= 0.0948 USER MOD Single : A 27 TYR OH : rot 161:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0.826 (180deg=0.246) USER MOD Single : A 33 THR OG1 : rot 93:sc= 1.31 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.022) USER MOD Single : A 55 THR OG1 : rot -5:sc= 0.881 USER MOD Single : A 64 SER OG : rot 81:sc= 0.573 USER MOD Single : A 65 THR OG1 : rot 54:sc= 1.29 USER MOD Single : A 71 SER OG : rot -69:sc= 1.24 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 1.14 (180deg=0.503) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.83! K(o=-1.8!,f=-0.66) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.316 (180deg=-2.41!) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.899 (180deg=-2.25) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.57 (180deg=-2.02) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -5.415 20.935 0.489 1.00 10.00 N ATOM 2 CA ALA A 3 -5.861 19.911 1.449 1.00 10.00 C ATOM 3 C ALA A 3 -5.290 18.581 0.970 1.00 10.00 C ATOM 4 O ALA A 3 -4.380 18.623 0.143 1.00 10.00 O ATOM 5 CB ALA A 3 -7.391 19.898 1.567 1.00 10.00 C ATOM 0 HA ALA A 3 -5.499 20.121 2.456 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -7.694 19.133 2.282 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -7.738 20.873 1.910 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -7.829 19.679 0.593 1.00 10.00 H new ATOM 13 N VAL A 4 -5.809 17.445 1.441 1.00 10.00 N ATOM 14 CA VAL A 4 -5.523 16.155 0.826 1.00 10.00 C ATOM 15 C VAL A 4 -6.239 16.068 -0.533 1.00 10.00 C ATOM 16 O VAL A 4 -6.779 17.062 -1.017 1.00 10.00 O ATOM 17 CB VAL A 4 -5.898 15.007 1.787 1.00 10.00 C ATOM 18 CG1 VAL A 4 -5.115 15.104 3.101 1.00 10.00 C ATOM 19 CG2 VAL A 4 -7.397 14.952 2.098 1.00 10.00 C ATOM 0 H VAL A 4 -6.430 17.396 2.248 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.454 16.055 0.635 1.00 10.00 H new ATOM 0 HB VAL A 4 -5.630 14.088 1.265 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.401 14.282 3.757 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.047 15.047 2.893 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.340 16.052 3.589 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.597 14.124 2.778 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.707 15.888 2.564 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -7.955 14.805 1.173 1.00 10.00 H new ATOM 29 N LYS A 5 -6.256 14.879 -1.139 1.00 10.00 N ATOM 30 CA LYS A 5 -6.958 14.606 -2.385 1.00 10.00 C ATOM 31 C LYS A 5 -8.214 13.807 -2.058 1.00 10.00 C ATOM 32 O LYS A 5 -9.268 14.016 -2.646 1.00 10.00 O ATOM 33 CB LYS A 5 -6.069 13.764 -3.306 1.00 10.00 C ATOM 34 CG LYS A 5 -4.773 14.473 -3.719 1.00 10.00 C ATOM 35 CD LYS A 5 -4.020 13.524 -4.657 1.00 10.00 C ATOM 36 CE LYS A 5 -2.634 14.041 -5.056 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.956 13.099 -5.974 1.00 10.00 N ATOM 0 H LYS A 5 -5.770 14.064 -0.765 1.00 10.00 H new ATOM 0 HA LYS A 5 -7.210 15.543 -2.881 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.819 12.830 -2.802 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -6.632 13.502 -4.202 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -4.992 15.416 -4.220 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.168 14.710 -2.844 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -3.913 12.554 -4.172 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -4.614 13.366 -5.557 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.730 15.015 -5.536 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.025 14.185 -4.163 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -0.988 13.432 -6.160 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.920 12.155 -5.538 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -2.483 13.047 -6.869 1.00 10.00 H new ATOM 51 N TYR A 6 -8.044 12.844 -1.147 1.00 10.00 N ATOM 52 CA TYR A 6 -8.921 11.714 -0.975 1.00 10.00 C ATOM 53 C TYR A 6 -9.308 11.055 -2.302 1.00 10.00 C ATOM 54 O TYR A 6 -10.419 11.148 -2.820 1.00 10.00 O ATOM 55 CB TYR A 6 -10.129 12.011 -0.112 1.00 10.00 C ATOM 56 CG TYR A 6 -10.018 11.943 1.387 1.00 10.00 C ATOM 57 CD1 TYR A 6 -10.040 10.669 1.961 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.141 13.072 2.213 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.868 10.507 3.332 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.054 12.914 3.610 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.851 11.637 4.165 1.00 10.00 C ATOM 62 OH TYR A 6 -9.483 11.511 5.467 1.00 10.00 O ATOM 0 H TYR A 6 -7.261 12.843 -0.493 1.00 10.00 H new ATOM 0 HA TYR A 6 -8.333 10.982 -0.421 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.470 13.014 -0.367 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.918 11.321 -0.410 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -10.192 9.802 1.335 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.300 14.050 1.782 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -9.748 9.519 3.752 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.143 13.775 4.256 1.00 10.00 H new ATOM 0 HH TYR A 6 -8.515 11.367 5.521 1.00 10.00 H new ATOM 72 N TYR A 7 -8.336 10.291 -2.758 1.00 10.00 N ATOM 73 CA TYR A 7 -8.436 9.142 -3.608 1.00 10.00 C ATOM 74 C TYR A 7 -9.687 8.294 -3.384 1.00 10.00 C ATOM 75 O TYR A 7 -9.934 7.755 -2.310 1.00 10.00 O ATOM 76 CB TYR A 7 -7.193 8.324 -3.262 1.00 10.00 C ATOM 77 CG TYR A 7 -5.883 8.677 -3.950 1.00 10.00 C ATOM 78 CD1 TYR A 7 -5.814 9.528 -5.074 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.697 8.355 -3.270 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.601 10.152 -5.418 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.484 8.946 -3.638 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.437 9.875 -4.684 1.00 10.00 C ATOM 83 OH TYR A 7 -2.337 10.678 -4.814 1.00 10.00 O ATOM 0 H TYR A 7 -7.365 10.486 -2.513 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.506 9.453 -4.650 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -7.034 8.399 -2.186 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.412 7.279 -3.480 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.696 9.701 -5.673 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.722 7.645 -2.456 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.565 10.844 -6.246 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.578 8.684 -3.112 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.001 10.919 -3.925 1.00 10.00 H new ATOM 93 N THR A 8 -10.440 8.123 -4.460 1.00 10.00 N ATOM 94 CA THR A 8 -11.644 7.323 -4.503 1.00 10.00 C ATOM 95 C THR A 8 -11.277 5.846 -4.554 1.00 10.00 C ATOM 96 O THR A 8 -10.258 5.482 -5.138 1.00 10.00 O ATOM 97 CB THR A 8 -12.439 7.755 -5.736 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.571 7.777 -6.856 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.991 9.163 -5.506 1.00 10.00 C ATOM 0 H THR A 8 -10.217 8.555 -5.357 1.00 10.00 H new ATOM 0 HA THR A 8 -12.253 7.471 -3.611 1.00 10.00 H new ATOM 0 HB THR A 8 -13.260 7.060 -5.913 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.072 8.051 -7.653 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.559 9.478 -6.381 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.642 9.160 -4.632 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.165 9.855 -5.341 1.00 10.00 H new ATOM 107 N LEU A 9 -12.124 4.984 -3.982 1.00 10.00 N ATOM 108 CA LEU A 9 -11.991 3.541 -4.143 1.00 10.00 C ATOM 109 C LEU A 9 -11.870 3.182 -5.625 1.00 10.00 C ATOM 110 O LEU A 9 -11.043 2.352 -5.993 1.00 10.00 O ATOM 111 CB LEU A 9 -13.113 2.822 -3.390 1.00 10.00 C ATOM 112 CG LEU A 9 -13.354 1.360 -3.818 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.812 0.518 -2.623 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.420 1.246 -4.917 1.00 10.00 C ATOM 0 H LEU A 9 -12.912 5.268 -3.401 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.066 3.187 -3.688 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.884 2.840 -2.324 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.038 3.382 -3.527 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.404 0.992 -4.206 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.977 -0.510 -2.944 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.045 0.538 -1.849 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.740 0.927 -2.224 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.555 0.198 -5.186 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.364 1.652 -4.552 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -14.099 1.807 -5.795 1.00 10.00 H new ATOM 126 N GLU A 10 -12.639 3.878 -6.471 1.00 10.00 N ATOM 127 CA GLU A 10 -12.530 3.821 -7.920 1.00 10.00 C ATOM 128 C GLU A 10 -11.062 3.806 -8.350 1.00 10.00 C ATOM 129 O GLU A 10 -10.624 2.862 -9.008 1.00 10.00 O ATOM 130 CB GLU A 10 -13.273 5.021 -8.527 1.00 10.00 C ATOM 131 CG GLU A 10 -13.375 4.965 -10.057 1.00 10.00 C ATOM 132 CD GLU A 10 -14.147 3.746 -10.540 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.388 3.778 -10.439 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.468 2.792 -10.984 1.00 10.00 O ATOM 0 H GLU A 10 -13.372 4.511 -6.150 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.986 2.900 -8.284 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.277 5.068 -8.105 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.762 5.939 -8.238 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.864 5.869 -10.420 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.373 4.951 -10.485 1.00 10.00 H new ATOM 141 N GLU A 11 -10.307 4.837 -7.957 1.00 10.00 N ATOM 142 CA GLU A 11 -8.879 4.912 -8.234 1.00 10.00 C ATOM 143 C GLU A 11 -8.130 3.815 -7.495 1.00 10.00 C ATOM 144 O GLU A 11 -7.328 3.106 -8.092 1.00 10.00 O ATOM 145 CB GLU A 11 -8.296 6.275 -7.817 1.00 10.00 C ATOM 146 CG GLU A 11 -8.350 7.333 -8.924 1.00 10.00 C ATOM 147 CD GLU A 11 -7.400 6.991 -10.071 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.798 6.265 -11.008 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.221 7.392 -10.015 1.00 10.00 O ATOM 0 H GLU A 11 -10.672 5.637 -7.440 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.755 4.785 -9.309 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.842 6.643 -6.948 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.260 6.138 -7.508 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.368 7.412 -9.305 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.088 8.307 -8.511 1.00 10.00 H new ATOM 156 N ILE A 12 -8.338 3.707 -6.186 1.00 10.00 N ATOM 157 CA ILE A 12 -7.508 2.869 -5.342 1.00 10.00 C ATOM 158 C ILE A 12 -7.459 1.446 -5.888 1.00 10.00 C ATOM 159 O ILE A 12 -6.380 0.884 -6.044 1.00 10.00 O ATOM 160 CB ILE A 12 -7.997 2.937 -3.886 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.697 4.321 -3.284 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.381 1.836 -3.016 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.658 4.690 -2.151 1.00 10.00 C ATOM 0 H ILE A 12 -9.082 4.196 -5.688 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.483 3.240 -5.350 1.00 10.00 H new ATOM 0 HB ILE A 12 -9.075 2.776 -3.900 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.674 4.336 -2.907 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.759 5.076 -4.068 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.756 1.925 -1.997 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.652 0.860 -3.418 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.296 1.939 -3.013 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.401 5.676 -1.763 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.680 4.704 -2.531 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.578 3.953 -1.352 1.00 10.00 H new ATOM 175 N GLN A 13 -8.622 0.889 -6.223 1.00 10.00 N ATOM 176 CA GLN A 13 -8.720 -0.470 -6.728 1.00 10.00 C ATOM 177 C GLN A 13 -7.917 -0.586 -8.020 1.00 10.00 C ATOM 178 O GLN A 13 -7.133 -1.509 -8.227 1.00 10.00 O ATOM 179 CB GLN A 13 -10.191 -0.767 -7.055 1.00 10.00 C ATOM 180 CG GLN A 13 -11.029 -1.069 -5.805 1.00 10.00 C ATOM 181 CD GLN A 13 -11.331 -2.557 -5.626 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.347 -2.841 -4.956 1.00 10.00 O ATOM 183 NE2 GLN A 13 -10.588 -3.380 -6.205 1.00 10.00 N ATOM 0 H GLN A 13 -9.518 1.370 -6.150 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.339 -1.167 -5.982 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.622 0.087 -7.578 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.243 -1.617 -7.736 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.500 -0.704 -4.924 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.968 -0.519 -5.864 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.777 -3.053 -6.731 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -10.793 -4.378 -6.151 1.00 10.00 H new ATOM 190 N LYS A 14 -8.156 0.387 -8.901 1.00 10.00 N ATOM 191 CA LYS A 14 -7.505 0.520 -10.187 1.00 10.00 C ATOM 192 C LYS A 14 -5.985 0.495 -9.996 1.00 10.00 C ATOM 193 O LYS A 14 -5.256 -0.152 -10.747 1.00 10.00 O ATOM 194 CB LYS A 14 -7.974 1.850 -10.791 1.00 10.00 C ATOM 195 CG LYS A 14 -8.140 1.874 -12.310 1.00 10.00 C ATOM 196 CD LYS A 14 -9.349 1.063 -12.815 1.00 10.00 C ATOM 197 CE LYS A 14 -10.731 1.690 -12.531 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.265 1.432 -11.177 1.00 10.00 N ATOM 0 H LYS A 14 -8.835 1.127 -8.723 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.761 -0.301 -10.857 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.928 2.116 -10.337 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.261 2.625 -10.511 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.245 2.908 -12.639 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.233 1.483 -12.772 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.247 0.922 -13.891 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.317 0.073 -12.359 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.662 2.768 -12.679 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.443 1.312 -13.265 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.300 1.530 -11.188 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.012 0.467 -10.882 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.859 2.117 -10.508 1.00 10.00 H new ATOM 212 N HIS A 15 -5.508 1.207 -8.976 1.00 10.00 N ATOM 213 CA HIS A 15 -4.122 1.218 -8.563 1.00 10.00 C ATOM 214 C HIS A 15 -3.731 -0.076 -7.848 1.00 10.00 C ATOM 215 O HIS A 15 -3.360 -0.100 -6.676 1.00 10.00 O ATOM 216 CB HIS A 15 -3.844 2.462 -7.729 1.00 10.00 C ATOM 217 CG HIS A 15 -3.552 3.688 -8.549 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.297 4.065 -8.955 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.435 4.625 -9.007 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.416 5.203 -9.655 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.706 5.566 -9.746 1.00 10.00 N ATOM 0 H HIS A 15 -6.101 1.807 -8.403 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.490 1.263 -9.450 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.705 2.660 -7.090 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.997 2.266 -7.071 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.428 3.568 -8.759 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.501 4.638 -8.831 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.590 5.751 -10.085 1.00 10.00 H new ATOM 229 N ASN A 16 -3.726 -1.158 -8.615 1.00 10.00 N ATOM 230 CA ASN A 16 -3.209 -2.457 -8.207 1.00 10.00 C ATOM 231 C ASN A 16 -2.224 -3.013 -9.237 1.00 10.00 C ATOM 232 O ASN A 16 -1.874 -4.192 -9.174 1.00 10.00 O ATOM 233 CB ASN A 16 -4.371 -3.421 -7.924 1.00 10.00 C ATOM 234 CG ASN A 16 -5.174 -3.805 -9.167 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.832 -3.447 -10.292 1.00 10.00 O ATOM 236 ND2 ASN A 16 -6.256 -4.552 -8.978 1.00 10.00 N ATOM 0 H ASN A 16 -4.093 -1.156 -9.567 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.646 -2.338 -7.281 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.975 -4.327 -7.465 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -5.042 -2.963 -7.197 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.822 -4.840 -9.776 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -6.520 -4.837 -8.035 1.00 10.00 H new ATOM 243 N ASN A 17 -1.771 -2.187 -10.194 1.00 10.00 N ATOM 244 CA ASN A 17 -0.857 -2.652 -11.228 1.00 10.00 C ATOM 245 C ASN A 17 0.065 -1.513 -11.687 1.00 10.00 C ATOM 246 O ASN A 17 0.547 -0.738 -10.859 1.00 10.00 O ATOM 247 CB ASN A 17 -1.683 -3.309 -12.349 1.00 10.00 C ATOM 248 CG ASN A 17 -0.821 -4.176 -13.260 1.00 10.00 C ATOM 249 OD1 ASN A 17 -0.412 -3.731 -14.331 1.00 10.00 O ATOM 250 ND2 ASN A 17 -0.520 -5.399 -12.838 1.00 10.00 N ATOM 0 H ASN A 17 -2.026 -1.202 -10.266 1.00 10.00 H new ATOM 0 HA ASN A 17 -0.179 -3.415 -10.847 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -2.472 -3.919 -11.908 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -2.171 -2.535 -12.941 1.00 10.00 H new ATOM 0 HD21 ASN A 17 0.070 -6.005 -13.409 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -0.879 -5.732 -11.943 1.00 10.00 H new ATOM 257 N SER A 18 0.301 -1.394 -12.997 1.00 10.00 N ATOM 258 CA SER A 18 1.250 -0.499 -13.647 1.00 10.00 C ATOM 259 C SER A 18 0.786 0.953 -13.558 1.00 10.00 C ATOM 260 O SER A 18 1.598 1.872 -13.594 1.00 10.00 O ATOM 261 CB SER A 18 1.398 -0.950 -15.105 1.00 10.00 C ATOM 262 OG SER A 18 0.142 -1.372 -15.610 1.00 10.00 O ATOM 0 H SER A 18 -0.205 -1.963 -13.675 1.00 10.00 H new ATOM 0 HA SER A 18 2.216 -0.547 -13.144 1.00 10.00 H new ATOM 0 HB2 SER A 18 1.786 -0.131 -15.710 1.00 10.00 H new ATOM 0 HB3 SER A 18 2.119 -1.765 -15.171 1.00 10.00 H new ATOM 0 HG SER A 18 -0.046 -2.283 -15.300 1.00 10.00 H new ATOM 268 N LYS A 19 -0.524 1.134 -13.367 1.00 10.00 N ATOM 269 CA LYS A 19 -1.136 2.295 -12.737 1.00 10.00 C ATOM 270 C LYS A 19 -0.219 2.938 -11.686 1.00 10.00 C ATOM 271 O LYS A 19 -0.142 4.161 -11.609 1.00 10.00 O ATOM 272 CB LYS A 19 -2.417 1.819 -12.033 1.00 10.00 C ATOM 273 CG LYS A 19 -3.712 2.263 -12.713 1.00 10.00 C ATOM 274 CD LYS A 19 -3.862 3.800 -12.733 1.00 10.00 C ATOM 275 CE LYS A 19 -5.270 4.245 -12.291 1.00 10.00 C ATOM 276 NZ LYS A 19 -5.356 5.679 -11.933 1.00 10.00 N ATOM 0 H LYS A 19 -1.212 0.442 -13.662 1.00 10.00 H new ATOM 0 HA LYS A 19 -1.336 3.041 -13.506 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -2.404 0.730 -11.978 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -2.413 2.190 -11.008 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -3.732 1.884 -13.735 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -4.563 1.823 -12.193 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -3.117 4.246 -12.075 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -3.663 4.171 -13.738 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -5.976 4.037 -13.095 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -5.578 3.646 -11.434 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -6.353 5.976 -11.927 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -4.945 5.826 -10.989 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -4.831 6.243 -12.631 1.00 10.00 H new ATOM 290 N SER A 20 0.402 2.086 -10.864 1.00 10.00 N ATOM 291 CA SER A 20 1.179 2.311 -9.653 1.00 10.00 C ATOM 292 C SER A 20 0.397 1.620 -8.535 1.00 10.00 C ATOM 293 O SER A 20 -0.804 1.842 -8.411 1.00 10.00 O ATOM 294 CB SER A 20 1.509 3.780 -9.347 1.00 10.00 C ATOM 295 OG SER A 20 2.231 4.364 -10.415 1.00 10.00 O ATOM 0 H SER A 20 0.361 1.087 -11.067 1.00 10.00 H new ATOM 0 HA SER A 20 2.177 1.890 -9.772 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.588 4.337 -9.177 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.093 3.843 -8.429 1.00 10.00 H new ATOM 0 HG SER A 20 1.607 4.644 -11.117 1.00 10.00 H new ATOM 301 N THR A 21 1.030 0.710 -7.800 1.00 10.00 N ATOM 302 CA THR A 21 0.355 -0.229 -6.913 1.00 10.00 C ATOM 303 C THR A 21 0.152 0.402 -5.534 1.00 10.00 C ATOM 304 O THR A 21 1.123 0.740 -4.860 1.00 10.00 O ATOM 305 CB THR A 21 1.177 -1.520 -6.870 1.00 10.00 C ATOM 306 OG1 THR A 21 1.194 -2.080 -8.173 1.00 10.00 O ATOM 307 CG2 THR A 21 0.586 -2.557 -5.910 1.00 10.00 C ATOM 0 H THR A 21 2.044 0.604 -7.805 1.00 10.00 H new ATOM 0 HA THR A 21 -0.641 -0.474 -7.281 1.00 10.00 H new ATOM 0 HB THR A 21 2.178 -1.269 -6.518 1.00 10.00 H new ATOM 0 HG1 THR A 21 0.846 -1.426 -8.815 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.206 -3.454 -5.916 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.556 -2.144 -4.902 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.425 -2.813 -6.228 1.00 10.00 H new ATOM 315 N TRP A 22 -1.112 0.571 -5.133 1.00 10.00 N ATOM 316 CA TRP A 22 -1.549 1.264 -3.929 1.00 10.00 C ATOM 317 C TRP A 22 -2.040 0.261 -2.899 1.00 10.00 C ATOM 318 O TRP A 22 -2.472 -0.826 -3.261 1.00 10.00 O ATOM 319 CB TRP A 22 -2.679 2.225 -4.309 1.00 10.00 C ATOM 320 CG TRP A 22 -2.234 3.483 -5.000 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.001 3.723 -5.495 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.032 4.637 -5.386 1.00 10.00 C ATOM 323 NE1 TRP A 22 -0.976 4.930 -6.149 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.225 5.524 -6.161 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.367 5.017 -5.159 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.746 6.702 -6.724 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.918 6.149 -5.778 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.121 6.970 -6.592 1.00 10.00 C ATOM 0 H TRP A 22 -1.896 0.206 -5.673 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.717 1.820 -3.495 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.380 1.700 -4.958 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.224 2.498 -3.405 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.155 3.060 -5.391 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.142 5.337 -6.572 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -4.980 4.426 -4.495 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.101 7.391 -7.250 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -5.960 6.390 -5.628 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.562 7.805 -7.116 1.00 10.00 H new ATOM 339 N LEU A 23 -2.022 0.622 -1.616 1.00 10.00 N ATOM 340 CA LEU A 23 -2.737 -0.119 -0.590 1.00 10.00 C ATOM 341 C LEU A 23 -3.219 0.833 0.492 1.00 10.00 C ATOM 342 O LEU A 23 -2.740 1.964 0.576 1.00 10.00 O ATOM 343 CB LEU A 23 -1.913 -1.263 0.026 1.00 10.00 C ATOM 344 CG LEU A 23 -0.466 -1.461 -0.421 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.404 -0.540 0.413 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.066 -2.917 -0.174 1.00 10.00 C ATOM 0 H LEU A 23 -1.513 1.433 -1.265 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.590 -0.591 -1.078 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.906 -1.118 1.106 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.447 -2.193 -0.167 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.347 -1.234 -1.481 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.446 -0.658 0.117 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.096 0.494 0.254 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.295 -0.793 1.468 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.966 -3.069 -0.490 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.158 -3.144 0.888 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.721 -3.576 -0.744 1.00 10.00 H new ATOM 358 N ILE A 24 -4.161 0.360 1.312 1.00 10.00 N ATOM 359 CA ILE A 24 -4.720 1.104 2.428 1.00 10.00 C ATOM 360 C ILE A 24 -4.223 0.504 3.727 1.00 10.00 C ATOM 361 O ILE A 24 -4.545 -0.647 4.023 1.00 10.00 O ATOM 362 CB ILE A 24 -6.251 1.028 2.373 1.00 10.00 C ATOM 363 CG1 ILE A 24 -6.837 1.450 1.027 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.895 1.790 3.540 1.00 10.00 C ATOM 365 CD1 ILE A 24 -6.483 2.891 0.686 1.00 10.00 C ATOM 0 H ILE A 24 -4.561 -0.573 1.210 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.409 2.147 2.370 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.501 -0.027 2.482 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.465 0.789 0.245 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -7.921 1.337 1.050 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.980 1.715 3.469 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.562 1.358 4.484 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.600 2.839 3.497 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -6.918 3.154 -0.278 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -6.878 3.555 1.455 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -5.399 2.998 0.637 1.00 10.00 H new ATOM 377 N LEU A 25 -3.468 1.281 4.509 1.00 10.00 N ATOM 378 CA LEU A 25 -2.825 0.775 5.726 1.00 10.00 C ATOM 379 C LEU A 25 -3.384 1.426 6.989 1.00 10.00 C ATOM 380 O LEU A 25 -2.708 1.415 8.011 1.00 10.00 O ATOM 381 CB LEU A 25 -1.298 0.893 5.618 1.00 10.00 C ATOM 382 CG LEU A 25 -0.586 -0.361 5.101 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.201 -0.915 3.824 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.898 -0.059 4.855 1.00 10.00 C ATOM 0 H LEU A 25 -3.286 2.267 4.320 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.062 -0.285 5.817 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.059 1.726 4.957 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.897 1.141 6.601 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.701 -1.121 5.874 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.651 -1.802 3.510 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.243 -1.179 4.007 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.151 -0.161 3.039 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.396 -0.956 4.488 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.990 0.736 4.115 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.364 0.259 5.788 1.00 10.00 H new ATOM 396 N HIS A 26 -4.617 1.947 6.904 1.00 10.00 N ATOM 397 CA HIS A 26 -5.461 2.565 7.934 1.00 10.00 C ATOM 398 C HIS A 26 -6.070 3.843 7.365 1.00 10.00 C ATOM 399 O HIS A 26 -5.757 4.950 7.802 1.00 10.00 O ATOM 400 CB HIS A 26 -4.806 2.767 9.317 1.00 10.00 C ATOM 401 CG HIS A 26 -3.605 3.683 9.386 1.00 10.00 C ATOM 402 ND1 HIS A 26 -2.814 3.867 10.495 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.958 4.258 8.325 1.00 10.00 C ATOM 404 CE1 HIS A 26 -1.733 4.564 10.108 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.778 4.835 8.794 1.00 10.00 N ATOM 0 H HIS A 26 -5.101 1.944 6.006 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.247 1.847 8.168 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -5.565 3.154 9.997 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.507 1.789 9.695 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -3.012 3.535 11.439 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -3.302 4.264 7.301 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -0.933 4.867 10.767 1.00 10.00 H new ATOM 413 N TYR A 27 -6.910 3.691 6.337 1.00 10.00 N ATOM 414 CA TYR A 27 -7.546 4.789 5.614 1.00 10.00 C ATOM 415 C TYR A 27 -6.537 5.565 4.751 1.00 10.00 C ATOM 416 O TYR A 27 -6.830 5.908 3.612 1.00 10.00 O ATOM 417 CB TYR A 27 -8.297 5.718 6.578 1.00 10.00 C ATOM 418 CG TYR A 27 -9.703 6.128 6.192 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.780 5.272 6.495 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.956 7.465 5.835 1.00 10.00 C ATOM 421 CE1 TYR A 27 -12.090 5.779 6.533 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.266 7.969 5.868 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.331 7.128 6.234 1.00 10.00 C ATOM 424 OH TYR A 27 -13.588 7.631 6.387 1.00 10.00 O ATOM 0 H TYR A 27 -7.172 2.773 5.977 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.277 4.355 4.932 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.343 5.229 7.551 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -7.704 6.624 6.705 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.599 4.227 6.698 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.140 8.106 5.535 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.912 5.129 6.793 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -11.455 9.001 5.613 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.544 8.608 6.445 1.00 10.00 H new ATOM 434 N LYS A 28 -5.339 5.873 5.250 1.00 10.00 N ATOM 435 CA LYS A 28 -4.339 6.486 4.388 1.00 10.00 C ATOM 436 C LYS A 28 -3.934 5.500 3.284 1.00 10.00 C ATOM 437 O LYS A 28 -4.013 4.280 3.472 1.00 10.00 O ATOM 438 CB LYS A 28 -3.131 6.998 5.177 1.00 10.00 C ATOM 439 CG LYS A 28 -3.462 7.814 6.426 1.00 10.00 C ATOM 440 CD LYS A 28 -4.430 8.975 6.179 1.00 10.00 C ATOM 441 CE LYS A 28 -4.725 9.723 7.487 1.00 10.00 C ATOM 442 NZ LYS A 28 -5.674 10.832 7.269 1.00 10.00 N ATOM 0 H LYS A 28 -5.047 5.713 6.214 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.780 7.366 3.920 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.523 6.143 5.473 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.519 7.611 4.515 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.892 7.151 7.176 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.536 8.210 6.844 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.002 9.663 5.449 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.359 8.596 5.753 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.136 9.029 8.220 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.796 10.113 7.903 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.906 11.275 8.181 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.243 11.539 6.640 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.543 10.464 6.832 1.00 10.00 H new ATOM 456 N VAL A 29 -3.523 6.063 2.143 1.00 10.00 N ATOM 457 CA VAL A 29 -3.190 5.355 0.907 1.00 10.00 C ATOM 458 C VAL A 29 -1.685 5.419 0.683 1.00 10.00 C ATOM 459 O VAL A 29 -1.076 6.481 0.829 1.00 10.00 O ATOM 460 CB VAL A 29 -3.909 5.959 -0.311 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.494 5.243 -1.601 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.427 5.821 -0.229 1.00 10.00 C ATOM 0 H VAL A 29 -3.409 7.073 2.054 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.520 4.321 1.013 1.00 10.00 H new ATOM 0 HB VAL A 29 -3.625 7.011 -0.315 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.016 5.688 -2.448 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.418 5.344 -1.743 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.753 4.186 -1.530 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -5.881 6.265 -1.115 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.694 4.766 -0.174 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -5.791 6.334 0.661 1.00 10.00 H new ATOM 472 N TYR A 30 -1.114 4.274 0.309 1.00 10.00 N ATOM 473 CA TYR A 30 0.305 3.983 0.343 1.00 10.00 C ATOM 474 C TYR A 30 0.711 3.451 -1.029 1.00 10.00 C ATOM 475 O TYR A 30 0.198 2.404 -1.417 1.00 10.00 O ATOM 476 CB TYR A 30 0.461 2.920 1.439 1.00 10.00 C ATOM 477 CG TYR A 30 0.285 3.491 2.831 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.001 3.614 3.384 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.389 3.973 3.544 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.171 4.125 4.684 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.208 4.519 4.825 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.060 4.593 5.401 1.00 10.00 C ATOM 483 OH TYR A 30 -0.178 5.193 6.616 1.00 10.00 O ATOM 0 H TYR A 30 -1.663 3.490 -0.042 1.00 10.00 H new ATOM 0 HA TYR A 30 0.934 4.847 0.557 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.271 2.128 1.279 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.447 2.463 1.359 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.864 3.315 2.808 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.377 3.925 3.110 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.155 4.157 5.129 1.00 10.00 H new ATOM 0 HE2 TYR A 30 2.063 4.887 5.372 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.698 4.618 7.216 1.00 10.00 H new ATOM 493 N ASP A 31 1.588 4.148 -1.767 1.00 10.00 N ATOM 494 CA ASP A 31 2.080 3.670 -3.064 1.00 10.00 C ATOM 495 C ASP A 31 3.368 2.905 -2.845 1.00 10.00 C ATOM 496 O ASP A 31 4.262 3.424 -2.178 1.00 10.00 O ATOM 497 CB ASP A 31 2.422 4.807 -4.025 1.00 10.00 C ATOM 498 CG ASP A 31 2.481 4.316 -5.468 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.285 3.390 -5.733 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.703 4.856 -6.288 1.00 10.00 O ATOM 0 H ASP A 31 1.972 5.050 -1.484 1.00 10.00 H new ATOM 0 HA ASP A 31 1.284 3.062 -3.494 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.675 5.596 -3.938 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.382 5.244 -3.748 1.00 10.00 H new ATOM 505 N LEU A 32 3.479 1.707 -3.411 1.00 10.00 N ATOM 506 CA LEU A 32 4.668 0.895 -3.254 1.00 10.00 C ATOM 507 C LEU A 32 5.403 0.618 -4.557 1.00 10.00 C ATOM 508 O LEU A 32 6.324 -0.184 -4.537 1.00 10.00 O ATOM 509 CB LEU A 32 4.301 -0.462 -2.657 1.00 10.00 C ATOM 510 CG LEU A 32 3.571 -0.425 -1.315 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.644 -1.814 -0.673 1.00 10.00 C ATOM 512 CD2 LEU A 32 4.078 0.574 -0.285 1.00 10.00 C ATOM 0 H LEU A 32 2.752 1.280 -3.985 1.00 10.00 H new ATOM 0 HA LEU A 32 5.324 1.473 -2.603 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.677 -0.996 -3.374 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.215 -1.043 -2.536 1.00 10.00 H new ATOM 0 HG LEU A 32 2.562 -0.102 -1.571 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.126 -1.799 0.286 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.171 -2.544 -1.330 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.687 -2.089 -0.518 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.476 0.500 0.621 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.119 0.355 -0.048 1.00 10.00 H new ATOM 0 HD23 LEU A 32 4.002 1.583 -0.689 1.00 10.00 H new ATOM 524 N THR A 33 5.022 1.209 -5.682 1.00 10.00 N ATOM 525 CA THR A 33 5.437 0.743 -7.013 1.00 10.00 C ATOM 526 C THR A 33 6.941 0.463 -7.174 1.00 10.00 C ATOM 527 O THR A 33 7.305 -0.475 -7.873 1.00 10.00 O ATOM 528 CB THR A 33 4.894 1.704 -8.073 1.00 10.00 C ATOM 529 OG1 THR A 33 3.513 1.840 -7.835 1.00 10.00 O ATOM 530 CG2 THR A 33 5.074 1.176 -9.499 1.00 10.00 C ATOM 0 H THR A 33 4.415 2.028 -5.705 1.00 10.00 H new ATOM 0 HA THR A 33 4.996 -0.244 -7.153 1.00 10.00 H new ATOM 0 HB THR A 33 5.440 2.645 -7.998 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.355 2.616 -7.258 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.671 1.899 -10.208 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.135 1.024 -9.699 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.545 0.229 -9.606 1.00 10.00 H new ATOM 538 N LYS A 34 7.820 1.239 -6.534 1.00 10.00 N ATOM 539 CA LYS A 34 9.251 0.929 -6.509 1.00 10.00 C ATOM 540 C LYS A 34 9.574 -0.102 -5.421 1.00 10.00 C ATOM 541 O LYS A 34 10.404 -0.987 -5.594 1.00 10.00 O ATOM 542 CB LYS A 34 10.050 2.218 -6.285 1.00 10.00 C ATOM 543 CG LYS A 34 9.875 3.178 -7.467 1.00 10.00 C ATOM 544 CD LYS A 34 10.670 4.466 -7.216 1.00 10.00 C ATOM 545 CE LYS A 34 10.593 5.441 -8.399 1.00 10.00 C ATOM 546 NZ LYS A 34 9.213 5.896 -8.672 1.00 10.00 N ATOM 0 H LYS A 34 7.565 2.086 -6.026 1.00 10.00 H new ATOM 0 HA LYS A 34 9.532 0.494 -7.468 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.719 2.701 -5.366 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.106 1.979 -6.157 1.00 10.00 H new ATOM 0 HG2 LYS A 34 10.217 2.703 -8.386 1.00 10.00 H new ATOM 0 HG3 LYS A 34 8.819 3.413 -7.603 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.289 4.956 -6.320 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.713 4.214 -7.023 1.00 10.00 H new ATOM 0 HE2 LYS A 34 11.223 6.306 -8.193 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.995 4.958 -9.290 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 9.227 6.615 -9.423 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 8.635 5.087 -8.978 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 8.805 6.306 -7.808 1.00 10.00 H new ATOM 560 N PHE A 35 8.910 0.000 -4.272 1.00 10.00 N ATOM 561 CA PHE A 35 9.136 -0.873 -3.132 1.00 10.00 C ATOM 562 C PHE A 35 8.762 -2.317 -3.454 1.00 10.00 C ATOM 563 O PHE A 35 9.335 -3.237 -2.883 1.00 10.00 O ATOM 564 CB PHE A 35 8.351 -0.359 -1.920 1.00 10.00 C ATOM 565 CG PHE A 35 8.927 -0.846 -0.612 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.229 -0.464 -0.234 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.238 -1.814 0.133 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.842 -1.056 0.882 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.865 -2.427 1.224 1.00 10.00 C ATOM 570 CZ PHE A 35 10.165 -2.054 1.603 1.00 10.00 C ATOM 0 H PHE A 35 8.190 0.703 -4.108 1.00 10.00 H new ATOM 0 HA PHE A 35 10.200 -0.861 -2.894 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.347 0.731 -1.929 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.313 -0.682 -1.999 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.757 0.286 -0.804 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.227 -2.085 -0.134 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.831 -0.745 1.185 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.345 -3.193 1.779 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.642 -2.532 2.445 1.00 10.00 H new ATOM 580 N LEU A 36 7.832 -2.509 -4.394 1.00 10.00 N ATOM 581 CA LEU A 36 7.583 -3.778 -5.068 1.00 10.00 C ATOM 582 C LEU A 36 8.889 -4.544 -5.315 1.00 10.00 C ATOM 583 O LEU A 36 8.943 -5.751 -5.087 1.00 10.00 O ATOM 584 CB LEU A 36 6.881 -3.516 -6.409 1.00 10.00 C ATOM 585 CG LEU A 36 5.483 -2.891 -6.350 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.899 -2.897 -7.766 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.521 -3.577 -5.378 1.00 10.00 C ATOM 0 H LEU A 36 7.216 -1.761 -4.713 1.00 10.00 H new ATOM 0 HA LEU A 36 6.948 -4.387 -4.425 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.519 -2.863 -7.004 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.807 -4.463 -6.944 1.00 10.00 H new ATOM 0 HG LEU A 36 5.598 -1.878 -5.964 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.902 -2.456 -7.750 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.542 -2.316 -8.427 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.837 -3.923 -8.129 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.557 -3.069 -5.401 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.390 -4.619 -5.671 1.00 10.00 H new ATOM 0 HD23 LEU A 36 4.930 -3.532 -4.369 1.00 10.00 H new ATOM 599 N GLU A 37 9.933 -3.833 -5.756 1.00 10.00 N ATOM 600 CA GLU A 37 11.273 -4.370 -5.894 1.00 10.00 C ATOM 601 C GLU A 37 11.822 -4.725 -4.503 1.00 10.00 C ATOM 602 O GLU A 37 11.934 -5.896 -4.143 1.00 10.00 O ATOM 603 CB GLU A 37 12.158 -3.345 -6.630 1.00 10.00 C ATOM 604 CG GLU A 37 11.583 -2.934 -7.998 1.00 10.00 C ATOM 605 CD GLU A 37 12.373 -1.786 -8.621 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.472 -2.073 -9.139 1.00 10.00 O ATOM 607 OE2 GLU A 37 11.863 -0.643 -8.577 1.00 10.00 O ATOM 0 H GLU A 37 9.859 -2.853 -6.029 1.00 10.00 H new ATOM 0 HA GLU A 37 11.265 -5.284 -6.488 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.273 -2.458 -6.008 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.153 -3.766 -6.771 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.596 -3.792 -8.671 1.00 10.00 H new ATOM 0 HG3 GLU A 37 10.541 -2.637 -7.880 1.00 10.00 H new ATOM 614 N GLU A 38 12.149 -3.709 -3.700 1.00 10.00 N ATOM 615 CA GLU A 38 12.887 -3.866 -2.453 1.00 10.00 C ATOM 616 C GLU A 38 12.001 -4.282 -1.270 1.00 10.00 C ATOM 617 O GLU A 38 12.125 -3.735 -0.175 1.00 10.00 O ATOM 618 CB GLU A 38 13.612 -2.554 -2.142 1.00 10.00 C ATOM 619 CG GLU A 38 14.652 -2.167 -3.203 1.00 10.00 C ATOM 620 CD GLU A 38 15.854 -3.103 -3.170 1.00 10.00 C ATOM 621 OE1 GLU A 38 16.684 -2.917 -2.254 1.00 10.00 O ATOM 622 OE2 GLU A 38 15.911 -3.993 -4.044 1.00 10.00 O ATOM 0 H GLU A 38 11.903 -2.741 -3.905 1.00 10.00 H new ATOM 0 HA GLU A 38 13.601 -4.678 -2.591 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.878 -1.753 -2.055 1.00 10.00 H new ATOM 0 HB3 GLU A 38 14.106 -2.641 -1.174 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.194 -2.196 -4.192 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.982 -1.142 -3.034 1.00 10.00 H new ATOM 629 N HIS A 39 11.142 -5.280 -1.466 1.00 10.00 N ATOM 630 CA HIS A 39 10.257 -5.807 -0.432 1.00 10.00 C ATOM 631 C HIS A 39 10.528 -7.297 -0.208 1.00 10.00 C ATOM 632 O HIS A 39 10.226 -8.096 -1.092 1.00 10.00 O ATOM 633 CB HIS A 39 8.788 -5.595 -0.829 1.00 10.00 C ATOM 634 CG HIS A 39 7.826 -6.164 0.187 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.747 -6.981 -0.063 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.843 -5.902 1.530 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.111 -7.162 1.115 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.731 -6.502 2.116 1.00 10.00 N ATOM 0 H HIS A 39 11.040 -5.753 -2.364 1.00 10.00 H new ATOM 0 HA HIS A 39 10.452 -5.270 0.496 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.597 -4.528 -0.947 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.606 -6.061 -1.798 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.479 -7.374 -0.965 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.594 -5.326 2.049 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.220 -7.759 1.240 1.00 10.00 H new ATOM 646 N PRO A 40 11.016 -7.722 0.970 1.00 10.00 N ATOM 647 CA PRO A 40 10.899 -9.110 1.389 1.00 10.00 C ATOM 648 C PRO A 40 9.405 -9.449 1.441 1.00 10.00 C ATOM 649 O PRO A 40 8.668 -8.793 2.166 1.00 10.00 O ATOM 650 CB PRO A 40 11.560 -9.187 2.775 1.00 10.00 C ATOM 651 CG PRO A 40 12.405 -7.913 2.854 1.00 10.00 C ATOM 652 CD PRO A 40 11.582 -6.920 2.038 1.00 10.00 C ATOM 0 HA PRO A 40 11.381 -9.819 0.717 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.816 -9.222 3.571 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.176 -10.081 2.874 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.541 -7.579 3.883 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.400 -8.059 2.433 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.803 -6.456 2.643 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.203 -6.115 1.646 1.00 10.00 H new ATOM 660 N GLY A 41 8.938 -10.398 0.626 1.00 10.00 N ATOM 661 CA GLY A 41 7.515 -10.550 0.326 1.00 10.00 C ATOM 662 C GLY A 41 7.320 -10.508 -1.190 1.00 10.00 C ATOM 663 O GLY A 41 6.531 -11.267 -1.746 1.00 10.00 O ATOM 0 H GLY A 41 9.535 -11.080 0.158 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.144 -11.493 0.728 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.943 -9.754 0.802 1.00 10.00 H new ATOM 667 N GLY A 42 8.058 -9.625 -1.864 1.00 10.00 N ATOM 668 CA GLY A 42 7.957 -9.412 -3.296 1.00 10.00 C ATOM 669 C GLY A 42 6.751 -8.546 -3.634 1.00 10.00 C ATOM 670 O GLY A 42 6.070 -8.029 -2.741 1.00 10.00 O ATOM 0 H GLY A 42 8.754 -9.030 -1.415 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.866 -8.935 -3.661 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.874 -10.372 -3.805 1.00 10.00 H new ATOM 674 N GLU A 43 6.517 -8.398 -4.940 1.00 10.00 N ATOM 675 CA GLU A 43 5.439 -7.617 -5.512 1.00 10.00 C ATOM 676 C GLU A 43 4.118 -8.366 -5.335 1.00 10.00 C ATOM 677 O GLU A 43 3.236 -7.865 -4.646 1.00 10.00 O ATOM 678 CB GLU A 43 5.817 -7.263 -6.958 1.00 10.00 C ATOM 679 CG GLU A 43 4.705 -6.649 -7.812 1.00 10.00 C ATOM 680 CD GLU A 43 5.236 -6.177 -9.168 1.00 10.00 C ATOM 681 OE1 GLU A 43 6.447 -5.898 -9.261 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.405 -6.111 -10.105 1.00 10.00 O ATOM 0 H GLU A 43 7.102 -8.840 -5.649 1.00 10.00 H new ATOM 0 HA GLU A 43 5.289 -6.667 -4.999 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.655 -6.567 -6.933 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.169 -8.168 -7.452 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.915 -7.384 -7.965 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.260 -5.807 -7.281 1.00 10.00 H new ATOM 689 N GLU A 44 3.982 -9.569 -5.900 1.00 10.00 N ATOM 690 CA GLU A 44 2.825 -10.454 -5.764 1.00 10.00 C ATOM 691 C GLU A 44 2.119 -10.350 -4.409 1.00 10.00 C ATOM 692 O GLU A 44 0.933 -10.034 -4.358 1.00 10.00 O ATOM 693 CB GLU A 44 3.272 -11.901 -6.030 1.00 10.00 C ATOM 694 CG GLU A 44 3.273 -12.267 -7.525 1.00 10.00 C ATOM 695 CD GLU A 44 3.595 -11.095 -8.436 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.701 -10.531 -8.298 1.00 10.00 O ATOM 697 OE2 GLU A 44 2.690 -10.705 -9.209 1.00 10.00 O ATOM 0 H GLU A 44 4.710 -9.970 -6.492 1.00 10.00 H new ATOM 0 HA GLU A 44 2.087 -10.135 -6.500 1.00 10.00 H new ATOM 0 HB2 GLU A 44 4.274 -12.046 -5.626 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.611 -12.583 -5.495 1.00 10.00 H new ATOM 0 HG2 GLU A 44 4.001 -13.060 -7.696 1.00 10.00 H new ATOM 0 HG3 GLU A 44 2.295 -12.668 -7.793 1.00 10.00 H new ATOM 704 N VAL A 45 2.839 -10.604 -3.313 1.00 10.00 N ATOM 705 CA VAL A 45 2.279 -10.538 -1.965 1.00 10.00 C ATOM 706 C VAL A 45 1.584 -9.195 -1.712 1.00 10.00 C ATOM 707 O VAL A 45 0.501 -9.151 -1.133 1.00 10.00 O ATOM 708 CB VAL A 45 3.380 -10.831 -0.931 1.00 10.00 C ATOM 709 CG1 VAL A 45 2.927 -10.551 0.508 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.803 -12.303 -1.024 1.00 10.00 C ATOM 0 H VAL A 45 3.826 -10.861 -3.338 1.00 10.00 H new ATOM 0 HA VAL A 45 1.509 -11.302 -1.863 1.00 10.00 H new ATOM 0 HB VAL A 45 4.213 -10.167 -1.163 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.742 -10.775 1.196 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.649 -9.502 0.604 1.00 10.00 H new ATOM 0 HG13 VAL A 45 2.068 -11.178 0.747 1.00 10.00 H new ATOM 0 HG21 VAL A 45 4.583 -12.505 -0.290 1.00 10.00 H new ATOM 0 HG22 VAL A 45 2.943 -12.942 -0.825 1.00 10.00 H new ATOM 0 HG23 VAL A 45 4.184 -12.509 -2.024 1.00 10.00 H new ATOM 720 N LEU A 46 2.188 -8.091 -2.152 1.00 10.00 N ATOM 721 CA LEU A 46 1.575 -6.775 -2.061 1.00 10.00 C ATOM 722 C LEU A 46 0.381 -6.702 -3.014 1.00 10.00 C ATOM 723 O LEU A 46 -0.697 -6.257 -2.631 1.00 10.00 O ATOM 724 CB LEU A 46 2.611 -5.686 -2.385 1.00 10.00 C ATOM 725 CG LEU A 46 3.855 -5.755 -1.484 1.00 10.00 C ATOM 726 CD1 LEU A 46 4.961 -4.856 -2.039 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.503 -5.361 -0.050 1.00 10.00 C ATOM 0 H LEU A 46 3.114 -8.088 -2.580 1.00 10.00 H new ATOM 0 HA LEU A 46 1.218 -6.606 -1.045 1.00 10.00 H new ATOM 0 HB2 LEU A 46 2.918 -5.782 -3.427 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.146 -4.706 -2.279 1.00 10.00 H new ATOM 0 HG LEU A 46 4.220 -6.782 -1.472 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.836 -4.914 -1.392 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.229 -5.186 -3.042 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.607 -3.826 -2.079 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.396 -5.416 0.572 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.114 -4.343 -0.037 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.747 -6.043 0.340 1.00 10.00 H new ATOM 739 N ARG A 47 0.579 -7.146 -4.257 1.00 10.00 N ATOM 740 CA ARG A 47 -0.359 -7.010 -5.363 1.00 10.00 C ATOM 741 C ARG A 47 -1.702 -7.627 -4.982 1.00 10.00 C ATOM 742 O ARG A 47 -2.750 -7.016 -5.162 1.00 10.00 O ATOM 743 CB ARG A 47 0.219 -7.684 -6.617 1.00 10.00 C ATOM 744 CG ARG A 47 -0.525 -7.221 -7.873 1.00 10.00 C ATOM 745 CD ARG A 47 -0.340 -8.189 -9.052 1.00 10.00 C ATOM 746 NE ARG A 47 1.054 -8.586 -9.316 1.00 10.00 N ATOM 747 CZ ARG A 47 2.008 -7.819 -9.855 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.847 -6.503 -10.000 1.00 10.00 N ATOM 749 NH2 ARG A 47 3.155 -8.370 -10.236 1.00 10.00 N ATOM 0 H ARG A 47 1.435 -7.630 -4.527 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.517 -5.954 -5.581 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.279 -7.446 -6.708 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.142 -8.767 -6.522 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.587 -7.125 -7.648 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -0.169 -6.231 -8.159 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -0.928 -9.087 -8.862 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -0.747 -7.726 -9.951 1.00 10.00 H new ATOM 0 HE ARG A 47 1.317 -9.538 -9.063 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.980 -6.059 -9.697 1.00 10.00 H new ATOM 0 HH12 ARG A 47 2.590 -5.941 -10.414 1.00 10.00 H new ATOM 0 HH21 ARG A 47 3.304 -9.372 -10.117 1.00 10.00 H new ATOM 0 HH22 ARG A 47 3.887 -7.791 -10.648 1.00 10.00 H new ATOM 763 N GLU A 48 -1.632 -8.838 -4.432 1.00 10.00 N ATOM 764 CA GLU A 48 -2.725 -9.601 -3.858 1.00 10.00 C ATOM 765 C GLU A 48 -3.658 -8.709 -3.028 1.00 10.00 C ATOM 766 O GLU A 48 -4.877 -8.761 -3.176 1.00 10.00 O ATOM 767 CB GLU A 48 -2.063 -10.692 -3.001 1.00 10.00 C ATOM 768 CG GLU A 48 -3.042 -11.656 -2.312 1.00 10.00 C ATOM 769 CD GLU A 48 -3.782 -12.575 -3.282 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.305 -12.713 -4.429 1.00 10.00 O ATOM 771 OE2 GLU A 48 -4.801 -13.149 -2.843 1.00 10.00 O ATOM 0 H GLU A 48 -0.747 -9.341 -4.375 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.358 -10.038 -4.631 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.390 -11.271 -3.633 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.450 -10.212 -2.238 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.493 -12.266 -1.594 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.771 -11.076 -1.746 1.00 10.00 H new ATOM 778 N GLN A 49 -3.077 -7.900 -2.137 1.00 10.00 N ATOM 779 CA GLN A 49 -3.809 -7.085 -1.175 1.00 10.00 C ATOM 780 C GLN A 49 -4.025 -5.652 -1.696 1.00 10.00 C ATOM 781 O GLN A 49 -4.868 -4.922 -1.178 1.00 10.00 O ATOM 782 CB GLN A 49 -3.014 -7.102 0.137 1.00 10.00 C ATOM 783 CG GLN A 49 -3.839 -6.670 1.355 1.00 10.00 C ATOM 784 CD GLN A 49 -4.782 -7.740 1.897 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.428 -8.913 1.956 1.00 10.00 O ATOM 786 NE2 GLN A 49 -5.966 -7.353 2.364 1.00 10.00 N ATOM 0 H GLN A 49 -2.065 -7.794 -2.067 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.806 -7.494 -1.013 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.629 -8.107 0.307 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.152 -6.442 0.039 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.157 -6.369 2.150 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.425 -5.791 1.087 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.242 -6.373 2.306 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -6.598 -8.037 2.781 1.00 10.00 H new ATOM 795 N ALA A 50 -3.222 -5.227 -2.675 1.00 10.00 N ATOM 796 CA ALA A 50 -3.233 -3.883 -3.232 1.00 10.00 C ATOM 797 C ALA A 50 -4.603 -3.475 -3.769 1.00 10.00 C ATOM 798 O ALA A 50 -5.438 -4.310 -4.107 1.00 10.00 O ATOM 799 CB ALA A 50 -2.197 -3.776 -4.348 1.00 10.00 C ATOM 0 H ALA A 50 -2.527 -5.832 -3.112 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.988 -3.201 -2.418 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.210 -2.767 -4.761 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.207 -3.991 -3.947 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -2.434 -4.493 -5.134 1.00 10.00 H new ATOM 805 N GLY A 51 -4.816 -2.161 -3.861 1.00 10.00 N ATOM 806 CA GLY A 51 -6.095 -1.585 -4.218 1.00 10.00 C ATOM 807 C GLY A 51 -7.168 -2.040 -3.251 1.00 10.00 C ATOM 808 O GLY A 51 -8.305 -2.290 -3.634 1.00 10.00 O ATOM 0 H GLY A 51 -4.090 -1.466 -3.686 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.026 -0.497 -4.209 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.363 -1.879 -5.233 1.00 10.00 H new ATOM 812 N GLY A 52 -6.813 -2.055 -1.966 1.00 10.00 N ATOM 813 CA GLY A 52 -7.767 -2.282 -0.926 1.00 10.00 C ATOM 814 C GLY A 52 -7.096 -2.143 0.429 1.00 10.00 C ATOM 815 O GLY A 52 -5.884 -1.932 0.557 1.00 10.00 O ATOM 0 H GLY A 52 -5.858 -1.909 -1.637 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.587 -1.569 -1.011 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.199 -3.278 -1.027 1.00 10.00 H new ATOM 819 N ASP A 53 -7.968 -2.259 1.416 1.00 10.00 N ATOM 820 CA ASP A 53 -7.762 -2.521 2.832 1.00 10.00 C ATOM 821 C ASP A 53 -6.672 -3.581 3.010 1.00 10.00 C ATOM 822 O ASP A 53 -6.940 -4.781 3.031 1.00 10.00 O ATOM 823 CB ASP A 53 -9.103 -2.926 3.474 1.00 10.00 C ATOM 824 CG ASP A 53 -10.211 -1.905 3.213 1.00 10.00 C ATOM 825 OD1 ASP A 53 -10.505 -1.704 2.015 1.00 10.00 O ATOM 826 OD2 ASP A 53 -10.755 -1.337 4.191 1.00 10.00 O ATOM 0 H ASP A 53 -8.964 -2.159 1.218 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.415 -1.623 3.342 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.409 -3.897 3.085 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.967 -3.042 4.549 1.00 10.00 H new ATOM 831 N ALA A 54 -5.425 -3.126 3.146 1.00 10.00 N ATOM 832 CA ALA A 54 -4.270 -3.963 3.458 1.00 10.00 C ATOM 833 C ALA A 54 -3.811 -3.741 4.902 1.00 10.00 C ATOM 834 O ALA A 54 -2.724 -4.167 5.291 1.00 10.00 O ATOM 835 CB ALA A 54 -3.160 -3.642 2.452 1.00 10.00 C ATOM 0 H ALA A 54 -5.187 -2.140 3.039 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.535 -5.017 3.375 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.286 -4.257 2.666 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.512 -3.852 1.442 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.891 -2.589 2.531 1.00 10.00 H new ATOM 841 N THR A 55 -4.648 -3.069 5.697 1.00 10.00 N ATOM 842 CA THR A 55 -4.311 -2.563 7.012 1.00 10.00 C ATOM 843 C THR A 55 -3.981 -3.705 7.962 1.00 10.00 C ATOM 844 O THR A 55 -2.868 -3.759 8.473 1.00 10.00 O ATOM 845 CB THR A 55 -5.457 -1.672 7.501 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.774 -0.715 6.504 1.00 10.00 O ATOM 847 CG2 THR A 55 -5.036 -0.949 8.780 1.00 10.00 C ATOM 0 H THR A 55 -5.609 -2.860 5.425 1.00 10.00 H new ATOM 0 HA THR A 55 -3.410 -1.952 6.970 1.00 10.00 H new ATOM 0 HB THR A 55 -6.331 -2.291 7.704 1.00 10.00 H new ATOM 0 HG1 THR A 55 -5.137 -0.791 5.763 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.853 -0.316 9.126 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.794 -1.682 9.550 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.160 -0.333 8.578 1.00 10.00 H new ATOM 855 N GLU A 56 -4.931 -4.621 8.170 1.00 10.00 N ATOM 856 CA GLU A 56 -4.758 -5.787 9.006 1.00 10.00 C ATOM 857 C GLU A 56 -3.510 -6.523 8.538 1.00 10.00 C ATOM 858 O GLU A 56 -2.551 -6.612 9.288 1.00 10.00 O ATOM 859 CB GLU A 56 -6.034 -6.637 8.911 1.00 10.00 C ATOM 860 CG GLU A 56 -6.009 -7.877 9.808 1.00 10.00 C ATOM 861 CD GLU A 56 -7.306 -8.659 9.655 1.00 10.00 C ATOM 862 OE1 GLU A 56 -7.519 -9.170 8.534 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.073 -8.696 10.640 1.00 10.00 O ATOM 0 H GLU A 56 -5.858 -4.561 7.748 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.613 -5.532 10.056 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.892 -6.021 9.180 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.177 -6.949 7.877 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.161 -8.509 9.545 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -5.875 -7.580 10.848 1.00 10.00 H new ATOM 870 N ASN A 57 -3.498 -6.973 7.281 1.00 10.00 N ATOM 871 CA ASN A 57 -2.418 -7.785 6.728 1.00 10.00 C ATOM 872 C ASN A 57 -1.044 -7.168 7.029 1.00 10.00 C ATOM 873 O ASN A 57 -0.167 -7.816 7.600 1.00 10.00 O ATOM 874 CB ASN A 57 -2.652 -7.984 5.221 1.00 10.00 C ATOM 875 CG ASN A 57 -1.814 -9.129 4.657 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.795 -9.502 5.221 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.235 -9.720 3.543 1.00 10.00 N ATOM 0 H ASN A 57 -4.246 -6.781 6.615 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.421 -8.764 7.207 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.708 -8.186 5.042 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.409 -7.063 4.692 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.706 -10.497 3.146 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.087 -9.397 3.085 1.00 10.00 H new ATOM 884 N PHE A 58 -0.871 -5.890 6.679 1.00 10.00 N ATOM 885 CA PHE A 58 0.364 -5.174 6.954 1.00 10.00 C ATOM 886 C PHE A 58 0.698 -5.173 8.449 1.00 10.00 C ATOM 887 O PHE A 58 1.749 -5.670 8.852 1.00 10.00 O ATOM 888 CB PHE A 58 0.251 -3.736 6.438 1.00 10.00 C ATOM 889 CG PHE A 58 1.444 -2.874 6.801 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.708 -3.184 6.273 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.322 -1.856 7.767 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.832 -2.424 6.638 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.447 -1.100 8.137 1.00 10.00 C ATOM 894 CZ PHE A 58 3.700 -1.374 7.561 1.00 10.00 C ATOM 0 H PHE A 58 -1.580 -5.333 6.202 1.00 10.00 H new ATOM 0 HA PHE A 58 1.175 -5.688 6.437 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.141 -3.754 5.354 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.653 -3.282 6.843 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.816 -4.009 5.584 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.364 -1.657 8.223 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.797 -2.647 6.209 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.349 -0.308 8.864 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.560 -0.778 7.828 1.00 10.00 H new ATOM 904 N GLU A 59 -0.179 -4.570 9.255 1.00 10.00 N ATOM 905 CA GLU A 59 0.048 -4.279 10.664 1.00 10.00 C ATOM 906 C GLU A 59 0.446 -5.569 11.392 1.00 10.00 C ATOM 907 O GLU A 59 1.423 -5.609 12.146 1.00 10.00 O ATOM 908 CB GLU A 59 -1.240 -3.661 11.239 1.00 10.00 C ATOM 909 CG GLU A 59 -1.046 -2.816 12.504 1.00 10.00 C ATOM 910 CD GLU A 59 -0.531 -1.413 12.190 1.00 10.00 C ATOM 911 OE1 GLU A 59 -1.366 -0.553 11.847 1.00 10.00 O ATOM 912 OE2 GLU A 59 0.704 -1.233 12.297 1.00 10.00 O ATOM 0 H GLU A 59 -1.096 -4.263 8.930 1.00 10.00 H new ATOM 0 HA GLU A 59 0.863 -3.568 10.797 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.700 -3.038 10.472 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.942 -4.464 11.461 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.994 -2.742 13.038 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -0.344 -3.318 13.170 1.00 10.00 H new ATOM 919 N ASP A 60 -0.347 -6.602 11.107 1.00 10.00 N ATOM 920 CA ASP A 60 -0.246 -7.989 11.528 1.00 10.00 C ATOM 921 C ASP A 60 1.138 -8.586 11.263 1.00 10.00 C ATOM 922 O ASP A 60 1.744 -9.160 12.165 1.00 10.00 O ATOM 923 CB ASP A 60 -1.323 -8.788 10.780 1.00 10.00 C ATOM 924 CG ASP A 60 -1.247 -10.268 11.119 1.00 10.00 C ATOM 925 OD1 ASP A 60 -1.631 -10.614 12.257 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.793 -11.018 10.229 1.00 10.00 O ATOM 0 H ASP A 60 -1.163 -6.466 10.510 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.397 -8.039 12.606 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.310 -8.404 11.039 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.200 -8.652 9.706 1.00 10.00 H new ATOM 931 N HIS A 61 1.667 -8.438 10.041 1.00 10.00 N ATOM 932 CA HIS A 61 2.886 -9.106 9.577 1.00 10.00 C ATOM 933 C HIS A 61 4.161 -8.437 10.102 1.00 10.00 C ATOM 934 O HIS A 61 5.139 -8.259 9.378 1.00 10.00 O ATOM 935 CB HIS A 61 2.875 -9.223 8.044 1.00 10.00 C ATOM 936 CG HIS A 61 2.034 -10.370 7.554 1.00 10.00 C ATOM 937 ND1 HIS A 61 0.666 -10.450 7.616 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.498 -11.547 7.032 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.311 -11.650 7.128 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.393 -12.353 6.747 1.00 10.00 N ATOM 0 H HIS A 61 1.248 -7.836 9.332 1.00 10.00 H new ATOM 0 HA HIS A 61 2.895 -10.113 9.994 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.499 -8.294 7.616 1.00 10.00 H new ATOM 0 HB3 HIS A 61 3.897 -9.349 7.686 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.034 -9.731 7.968 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.534 -11.806 6.869 1.00 10.00 H new ATOM 0 HE1 HIS A 61 -0.707 -12.003 7.052 1.00 10.00 H new ATOM 948 N GLY A 62 4.176 -8.113 11.391 1.00 10.00 N ATOM 949 CA GLY A 62 5.373 -7.734 12.124 1.00 10.00 C ATOM 950 C GLY A 62 5.812 -6.320 11.764 1.00 10.00 C ATOM 951 O GLY A 62 5.608 -5.410 12.564 1.00 10.00 O ATOM 0 H GLY A 62 3.334 -8.107 11.967 1.00 10.00 H new ATOM 0 HA2 GLY A 62 5.182 -7.797 13.195 1.00 10.00 H new ATOM 0 HA3 GLY A 62 6.177 -8.436 11.901 1.00 10.00 H new ATOM 955 N HIS A 63 6.386 -6.157 10.569 1.00 10.00 N ATOM 956 CA HIS A 63 6.762 -4.900 9.928 1.00 10.00 C ATOM 957 C HIS A 63 7.370 -3.864 10.873 1.00 10.00 C ATOM 958 O HIS A 63 6.667 -3.000 11.396 1.00 10.00 O ATOM 959 CB HIS A 63 5.561 -4.354 9.151 1.00 10.00 C ATOM 960 CG HIS A 63 5.301 -5.166 7.911 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.205 -5.949 7.643 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.125 -5.222 6.827 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.362 -6.447 6.403 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.519 -6.025 5.858 1.00 10.00 N ATOM 0 H HIS A 63 6.616 -6.960 9.984 1.00 10.00 H new ATOM 0 HA HIS A 63 7.574 -5.119 9.235 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.677 -4.365 9.788 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.744 -3.315 8.877 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.418 -6.121 8.268 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.082 -4.730 6.733 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.655 -7.098 5.911 1.00 10.00 H new ATOM 972 N SER A 64 8.690 -3.921 11.051 1.00 10.00 N ATOM 973 CA SER A 64 9.462 -3.033 11.908 1.00 10.00 C ATOM 974 C SER A 64 9.012 -1.570 11.813 1.00 10.00 C ATOM 975 O SER A 64 8.562 -1.109 10.762 1.00 10.00 O ATOM 976 CB SER A 64 10.947 -3.162 11.548 1.00 10.00 C ATOM 977 OG SER A 64 11.333 -4.521 11.607 1.00 10.00 O ATOM 0 H SER A 64 9.270 -4.616 10.581 1.00 10.00 H new ATOM 0 HA SER A 64 9.293 -3.336 12.941 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.125 -2.766 10.548 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.551 -2.572 12.237 1.00 10.00 H new ATOM 0 HG SER A 64 11.070 -4.972 10.778 1.00 10.00 H new ATOM 983 N THR A 65 9.186 -0.824 12.907 1.00 10.00 N ATOM 984 CA THR A 65 9.024 0.623 12.999 1.00 10.00 C ATOM 985 C THR A 65 9.485 1.333 11.732 1.00 10.00 C ATOM 986 O THR A 65 8.847 2.275 11.289 1.00 10.00 O ATOM 987 CB THR A 65 9.887 1.079 14.188 1.00 10.00 C ATOM 988 OG1 THR A 65 11.015 0.220 14.334 1.00 10.00 O ATOM 989 CG2 THR A 65 9.076 0.989 15.482 1.00 10.00 C ATOM 0 H THR A 65 9.458 -1.239 13.798 1.00 10.00 H new ATOM 0 HA THR A 65 7.971 0.871 13.130 1.00 10.00 H new ATOM 0 HB THR A 65 10.208 2.104 14.000 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.499 0.168 13.483 1.00 10.00 H new ATOM 0 HG21 THR A 65 9.692 1.313 16.321 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.198 1.631 15.407 1.00 10.00 H new ATOM 0 HG23 THR A 65 8.759 -0.042 15.642 1.00 10.00 H new ATOM 997 N ASP A 66 10.587 0.870 11.163 1.00 10.00 N ATOM 998 CA ASP A 66 11.283 1.395 10.010 1.00 10.00 C ATOM 999 C ASP A 66 10.478 1.139 8.730 1.00 10.00 C ATOM 1000 O ASP A 66 10.373 2.018 7.883 1.00 10.00 O ATOM 1001 CB ASP A 66 12.664 0.713 9.978 1.00 10.00 C ATOM 1002 CG ASP A 66 13.369 0.727 11.340 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.778 0.151 12.292 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.463 1.321 11.411 1.00 10.00 O ATOM 0 H ASP A 66 11.055 0.043 11.534 1.00 10.00 H new ATOM 0 HA ASP A 66 11.405 2.476 10.074 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.546 -0.319 9.646 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.294 1.214 9.243 1.00 10.00 H new ATOM 1009 N ALA A 67 9.865 -0.042 8.595 1.00 10.00 N ATOM 1010 CA ALA A 67 8.920 -0.367 7.537 1.00 10.00 C ATOM 1011 C ALA A 67 7.678 0.518 7.686 1.00 10.00 C ATOM 1012 O ALA A 67 7.155 1.078 6.723 1.00 10.00 O ATOM 1013 CB ALA A 67 8.533 -1.849 7.618 1.00 10.00 C ATOM 0 H ALA A 67 10.022 -0.816 9.241 1.00 10.00 H new ATOM 0 HA ALA A 67 9.378 -0.184 6.565 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.826 -2.084 6.823 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.425 -2.465 7.504 1.00 10.00 H new ATOM 0 HB3 ALA A 67 8.073 -2.053 8.585 1.00 10.00 H new ATOM 1019 N ARG A 68 7.212 0.642 8.927 1.00 10.00 N ATOM 1020 CA ARG A 68 6.145 1.546 9.322 1.00 10.00 C ATOM 1021 C ARG A 68 6.468 2.991 8.877 1.00 10.00 C ATOM 1022 O ARG A 68 5.698 3.607 8.145 1.00 10.00 O ATOM 1023 CB ARG A 68 5.867 1.314 10.826 1.00 10.00 C ATOM 1024 CG ARG A 68 4.737 0.280 10.988 1.00 10.00 C ATOM 1025 CD ARG A 68 4.457 -0.137 12.440 1.00 10.00 C ATOM 1026 NE ARG A 68 3.352 -1.123 12.517 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.445 -2.441 12.770 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.626 -3.025 12.932 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.335 -3.170 12.848 1.00 10.00 N ATOM 0 H ARG A 68 7.581 0.097 9.706 1.00 10.00 H new ATOM 0 HA ARG A 68 5.202 1.345 8.813 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.771 0.961 11.323 1.00 10.00 H new ATOM 0 HB3 ARG A 68 5.586 2.253 11.303 1.00 10.00 H new ATOM 0 HG2 ARG A 68 3.823 0.690 10.558 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.990 -0.609 10.410 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.359 -0.565 12.878 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.203 0.743 13.030 1.00 10.00 H new ATOM 0 HE ARG A 68 2.412 -0.760 12.360 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.481 -2.473 12.865 1.00 10.00 H new ATOM 0 HH12 ARG A 68 4.678 -4.026 13.123 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.425 -2.729 12.716 1.00 10.00 H new ATOM 0 HH22 ARG A 68 2.394 -4.170 13.039 1.00 10.00 H new ATOM 1043 N GLU A 69 7.638 3.523 9.222 1.00 10.00 N ATOM 1044 CA GLU A 69 8.134 4.812 8.756 1.00 10.00 C ATOM 1045 C GLU A 69 8.153 4.882 7.236 1.00 10.00 C ATOM 1046 O GLU A 69 7.660 5.835 6.631 1.00 10.00 O ATOM 1047 CB GLU A 69 9.542 5.029 9.318 1.00 10.00 C ATOM 1048 CG GLU A 69 9.497 5.565 10.749 1.00 10.00 C ATOM 1049 CD GLU A 69 8.812 6.923 10.845 1.00 10.00 C ATOM 1050 OE1 GLU A 69 8.787 7.665 9.836 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.185 7.214 11.888 1.00 10.00 O ATOM 0 H GLU A 69 8.286 3.053 9.854 1.00 10.00 H new ATOM 0 HA GLU A 69 7.466 5.598 9.108 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.092 4.088 9.298 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.085 5.729 8.683 1.00 10.00 H new ATOM 0 HG2 GLU A 69 8.972 4.852 11.384 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.513 5.647 11.135 1.00 10.00 H new ATOM 1058 N LEU A 70 8.700 3.846 6.611 1.00 10.00 N ATOM 1059 CA LEU A 70 8.654 3.717 5.165 1.00 10.00 C ATOM 1060 C LEU A 70 7.232 3.939 4.638 1.00 10.00 C ATOM 1061 O LEU A 70 7.029 4.688 3.684 1.00 10.00 O ATOM 1062 CB LEU A 70 9.222 2.367 4.692 1.00 10.00 C ATOM 1063 CG LEU A 70 10.606 2.438 4.024 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.755 3.651 3.098 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.725 2.434 5.068 1.00 10.00 C ATOM 0 H LEU A 70 9.181 3.083 7.087 1.00 10.00 H new ATOM 0 HA LEU A 70 9.292 4.496 4.748 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.284 1.696 5.549 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.519 1.921 3.988 1.00 10.00 H new ATOM 0 HG LEU A 70 10.692 1.544 3.407 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.751 3.650 2.654 1.00 10.00 H new ATOM 0 HD12 LEU A 70 10.006 3.600 2.308 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.615 4.567 3.672 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.691 2.485 4.566 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.612 3.296 5.726 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.670 1.518 5.657 1.00 10.00 H new ATOM 1077 N SER A 71 6.225 3.351 5.288 1.00 10.00 N ATOM 1078 CA SER A 71 4.848 3.575 4.885 1.00 10.00 C ATOM 1079 C SER A 71 4.526 5.066 4.958 1.00 10.00 C ATOM 1080 O SER A 71 3.940 5.618 4.030 1.00 10.00 O ATOM 1081 CB SER A 71 3.888 2.656 5.666 1.00 10.00 C ATOM 1082 OG SER A 71 3.368 3.238 6.841 1.00 10.00 O ATOM 0 H SER A 71 6.341 2.725 6.085 1.00 10.00 H new ATOM 0 HA SER A 71 4.704 3.292 3.842 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.060 2.374 5.015 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.413 1.738 5.929 1.00 10.00 H new ATOM 0 HG SER A 71 4.083 3.328 7.505 1.00 10.00 H new ATOM 1088 N LYS A 72 4.960 5.742 6.022 1.00 10.00 N ATOM 1089 CA LYS A 72 4.661 7.158 6.210 1.00 10.00 C ATOM 1090 C LYS A 72 5.128 7.953 5.000 1.00 10.00 C ATOM 1091 O LYS A 72 4.361 8.706 4.407 1.00 10.00 O ATOM 1092 CB LYS A 72 5.269 7.686 7.521 1.00 10.00 C ATOM 1093 CG LYS A 72 4.640 6.901 8.674 1.00 10.00 C ATOM 1094 CD LYS A 72 5.082 7.235 10.111 1.00 10.00 C ATOM 1095 CE LYS A 72 5.331 8.720 10.437 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.767 9.000 10.654 1.00 10.00 N ATOM 0 H LYS A 72 5.521 5.329 6.767 1.00 10.00 H new ATOM 0 HA LYS A 72 3.582 7.282 6.296 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.352 7.560 7.518 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.072 8.752 7.632 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.560 7.037 8.618 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.838 5.843 8.503 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.321 6.861 10.796 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.998 6.683 10.321 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.959 9.339 9.621 1.00 10.00 H new ATOM 0 HE3 LYS A 72 4.768 8.996 11.328 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 6.914 10.027 10.719 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.079 8.549 11.537 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 7.319 8.621 9.858 1.00 10.00 H new ATOM 1110 N THR A 73 6.376 7.739 4.603 1.00 10.00 N ATOM 1111 CA THR A 73 6.899 8.392 3.404 1.00 10.00 C ATOM 1112 C THR A 73 6.181 7.924 2.122 1.00 10.00 C ATOM 1113 O THR A 73 6.085 8.693 1.167 1.00 10.00 O ATOM 1114 CB THR A 73 8.439 8.353 3.340 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.931 9.280 2.394 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.018 6.988 2.997 1.00 10.00 C ATOM 0 H THR A 73 7.038 7.129 5.083 1.00 10.00 H new ATOM 0 HA THR A 73 6.659 9.453 3.476 1.00 10.00 H new ATOM 0 HB THR A 73 8.759 8.608 4.350 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.910 9.238 2.373 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.106 7.050 2.973 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.712 6.263 3.751 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.651 6.672 2.021 1.00 10.00 H new ATOM 1124 N PHE A 74 5.641 6.699 2.089 1.00 10.00 N ATOM 1125 CA PHE A 74 4.864 6.203 0.953 1.00 10.00 C ATOM 1126 C PHE A 74 3.435 6.759 0.911 1.00 10.00 C ATOM 1127 O PHE A 74 2.731 6.495 -0.068 1.00 10.00 O ATOM 1128 CB PHE A 74 4.788 4.670 0.956 1.00 10.00 C ATOM 1129 CG PHE A 74 6.082 3.883 0.918 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.275 4.417 0.392 1.00 10.00 C ATOM 1131 CD2 PHE A 74 6.053 2.546 1.348 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.444 3.636 0.374 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.214 1.760 1.313 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.422 2.323 0.878 1.00 10.00 C ATOM 0 H PHE A 74 5.732 6.026 2.850 1.00 10.00 H new ATOM 0 HA PHE A 74 5.394 6.553 0.068 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.241 4.367 1.849 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.189 4.366 0.097 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.292 5.424 0.003 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.129 2.120 1.709 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.360 4.045 -0.027 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.178 0.725 1.620 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.335 1.749 0.930 1.00 10.00 H new ATOM 1144 N ILE A 75 2.972 7.466 1.951 1.00 10.00 N ATOM 1145 CA ILE A 75 1.652 8.105 1.901 1.00 10.00 C ATOM 1146 C ILE A 75 1.526 9.007 0.672 1.00 10.00 C ATOM 1147 O ILE A 75 2.380 9.855 0.427 1.00 10.00 O ATOM 1148 CB ILE A 75 1.305 8.873 3.192 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.917 7.841 4.250 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.130 9.851 3.011 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.939 8.401 5.675 1.00 10.00 C ATOM 0 H ILE A 75 3.482 7.608 2.823 1.00 10.00 H new ATOM 0 HA ILE A 75 0.922 7.300 1.817 1.00 10.00 H new ATOM 0 HB ILE A 75 2.174 9.464 3.480 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.081 7.463 4.030 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.599 6.993 4.189 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.067 10.362 3.954 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.382 10.586 2.246 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.759 9.299 2.705 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.654 7.618 6.378 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.943 8.754 5.912 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.236 9.230 5.751 1.00 10.00 H new ATOM 1163 N ILE A 76 0.429 8.841 -0.072 1.00 10.00 N ATOM 1164 CA ILE A 76 0.150 9.602 -1.289 1.00 10.00 C ATOM 1165 C ILE A 76 -1.244 10.242 -1.293 1.00 10.00 C ATOM 1166 O ILE A 76 -1.552 10.989 -2.225 1.00 10.00 O ATOM 1167 CB ILE A 76 0.331 8.696 -2.521 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.293 7.313 -2.269 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.819 8.568 -2.873 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -0.699 6.612 -3.563 1.00 10.00 C ATOM 0 H ILE A 76 -0.299 8.165 0.159 1.00 10.00 H new ATOM 0 HA ILE A 76 0.864 10.425 -1.324 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.184 9.150 -3.368 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.419 6.689 -1.729 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.168 7.424 -1.629 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.932 7.925 -3.746 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.227 9.554 -3.094 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.356 8.134 -2.030 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.134 5.640 -3.329 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.433 7.220 -4.092 1.00 10.00 H new ATOM 0 HD13 ILE A 76 0.180 6.474 -4.193 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.109 9.935 -0.321 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.509 10.371 -0.361 1.00 10.00 C ATOM 1184 C GLY A 77 -4.333 9.477 0.554 1.00 10.00 C ATOM 1185 O GLY A 77 -3.723 8.812 1.393 1.00 10.00 O ATOM 0 H GLY A 77 -1.864 9.386 0.503 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.589 11.411 -0.043 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.890 10.319 -1.381 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.674 9.443 0.422 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.479 8.706 1.377 1.00 10.00 C ATOM 1191 C GLU A 78 -7.714 8.056 0.761 1.00 10.00 C ATOM 1192 O GLU A 78 -8.262 8.544 -0.218 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.980 9.675 2.442 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.878 10.522 3.093 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.249 11.056 4.467 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -7.124 10.473 5.150 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -5.523 11.949 4.956 1.00 10.00 O ATOM 0 H GLU A 78 -6.198 9.908 -0.320 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.839 7.919 1.776 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.717 10.341 1.993 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.494 9.109 3.219 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.973 9.921 3.179 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.642 11.361 2.438 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.165 7.006 1.437 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.402 6.260 1.296 1.00 10.00 C ATOM 1206 C LEU A 79 -10.594 7.205 1.329 1.00 10.00 C ATOM 1207 O LEU A 79 -10.976 7.661 2.405 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.399 5.303 2.502 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.512 4.278 2.679 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.849 4.914 3.042 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -10.580 3.413 1.431 1.00 10.00 C ATOM 0 H LEU A 79 -7.599 6.612 2.189 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.476 5.722 0.351 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.458 4.754 2.475 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.383 5.919 3.401 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.279 3.642 3.533 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.603 4.135 3.155 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.749 5.461 3.979 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -12.152 5.601 2.251 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.373 2.674 1.543 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.789 4.040 0.564 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -9.627 2.904 1.289 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.184 7.524 0.174 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.333 8.412 0.158 1.00 10.00 C ATOM 1225 C HIS A 80 -13.514 7.875 0.960 1.00 10.00 C ATOM 1226 O HIS A 80 -14.134 6.927 0.504 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.789 8.696 -1.265 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.786 9.814 -1.298 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.156 9.705 -1.234 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.456 11.115 -1.050 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.639 10.931 -0.964 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.642 11.822 -0.832 1.00 10.00 N ATOM 0 H HIS A 80 -10.888 7.185 -0.741 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.997 9.335 0.631 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -11.928 8.954 -1.882 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.231 7.797 -1.695 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.457 11.525 -1.026 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.688 11.168 -0.866 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.732 12.815 -0.616 1.00 10.00 H new ATOM 1240 N PRO A 81 -13.903 8.503 2.079 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.787 7.921 3.073 1.00 10.00 C ATOM 1242 C PRO A 81 -16.046 7.229 2.592 1.00 10.00 C ATOM 1243 O PRO A 81 -16.528 6.321 3.266 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.232 9.107 3.927 1.00 10.00 C ATOM 1245 CG PRO A 81 -14.057 10.082 3.885 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.420 9.800 2.530 1.00 10.00 C ATOM 0 HA PRO A 81 -14.221 7.127 3.561 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.138 9.563 3.529 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.453 8.798 4.949 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -14.389 11.117 3.966 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.358 9.906 4.703 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -13.684 10.578 1.813 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.333 9.797 2.611 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.585 7.689 1.463 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.779 7.119 0.861 1.00 10.00 C ATOM 1256 C ASP A 82 -17.631 5.595 0.759 1.00 10.00 C ATOM 1257 O ASP A 82 -18.575 4.840 0.973 1.00 10.00 O ATOM 1258 CB ASP A 82 -17.982 7.762 -0.515 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.276 7.295 -1.161 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.338 7.744 -0.681 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.171 6.534 -2.145 1.00 10.00 O ATOM 0 H ASP A 82 -16.198 8.475 0.940 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.656 7.322 1.476 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -17.996 8.847 -0.413 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.141 7.514 -1.162 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.385 5.179 0.512 1.00 10.00 N ATOM 1267 CA ASP A 83 -15.841 3.855 0.713 1.00 10.00 C ATOM 1268 C ASP A 83 -16.474 3.010 1.829 1.00 10.00 C ATOM 1269 O ASP A 83 -16.877 1.876 1.564 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.358 4.042 1.037 1.00 10.00 C ATOM 1271 CG ASP A 83 -13.657 2.690 1.035 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -13.301 2.247 -0.071 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -13.483 2.098 2.118 1.00 10.00 O ATOM 0 H ASP A 83 -15.685 5.819 0.137 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.048 3.297 -0.200 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -13.896 4.703 0.303 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.246 4.519 2.011 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.380 3.467 3.089 1.00 10.00 N ATOM 1279 CA ARG A 84 -16.076 2.507 4.150 1.00 10.00 C ATOM 1280 C ARG A 84 -17.252 1.630 4.589 1.00 10.00 C ATOM 1281 O ARG A 84 -17.126 0.392 4.412 1.00 10.00 O ATOM 1282 CB ARG A 84 -15.249 3.059 5.324 1.00 10.00 C ATOM 1283 CG ARG A 84 -13.895 2.325 5.515 1.00 10.00 C ATOM 1284 CD ARG A 84 -13.912 0.842 5.960 1.00 10.00 C ATOM 1285 NE ARG A 84 -14.598 -0.054 5.012 1.00 10.00 N ATOM 1286 CZ ARG A 84 -14.230 -0.259 3.736 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -12.970 -0.132 3.326 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -15.197 -0.446 2.834 1.00 10.00 N ATOM 1289 OXT ARG A 84 -18.212 2.187 5.161 1.00 10.00 O ATOM 0 H ARG A 84 -16.502 4.436 3.382 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.396 1.820 3.646 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.060 4.120 5.160 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.832 2.977 6.241 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.352 2.381 4.572 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.316 2.884 6.250 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.886 0.500 6.092 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.399 0.769 6.932 1.00 10.00 H new ATOM 0 HE ARG A 84 -15.417 -0.558 5.351 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.242 0.130 3.990 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -12.733 -0.297 2.348 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -16.175 -0.430 3.124 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -14.958 -0.605 1.855 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.201 -6.260 4.021 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.586 -8.511 5.230 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.485 -3.666 4.494 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.753 -3.992 3.137 1.00 10.00 C HETATM 1308 CHD HEM A 201 4.001 -8.906 3.508 1.00 10.00 C HETATM 1309 NA HEM A 201 8.192 -6.119 4.698 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.939 -7.162 5.164 1.00 10.00 C HETATM 1311 C2A HEM A 201 10.193 -6.617 5.645 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.200 -5.275 5.336 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.900 -4.956 4.802 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.319 -4.289 5.582 1.00 10.00 C HETATM 1315 CAA HEM A 201 11.217 -7.343 6.496 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.866 -7.325 7.992 1.00 10.00 C HETATM 1317 CGA HEM A 201 11.030 -5.946 8.632 1.00 10.00 C HETATM 1318 O1A HEM A 201 10.142 -5.562 9.424 1.00 10.00 O HETATM 1319 O2A HEM A 201 12.064 -5.301 8.361 1.00 10.00 O HETATM 1320 NB HEM A 201 6.143 -4.229 3.821 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.195 -3.366 4.066 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.733 -2.024 3.809 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.419 -2.143 3.438 1.00 10.00 C HETATM 1324 C4B HEM A 201 5.032 -3.527 3.446 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.527 -0.750 3.965 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.569 -1.022 2.905 1.00 10.00 C HETATM 1327 CBB HEM A 201 4.239 -0.018 3.738 1.00 10.00 C HETATM 1328 NC HEM A 201 4.226 -6.417 3.435 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.406 -5.346 3.166 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.080 -5.869 2.928 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.197 -7.236 2.951 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.542 -7.599 3.310 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.811 -5.094 2.675 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.042 -8.208 2.853 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.276 -8.260 1.743 1.00 10.00 C HETATM 1336 ND HEM A 201 6.281 -8.344 4.308 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.275 -9.207 3.991 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.742 -10.542 4.283 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.040 -10.437 4.731 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.359 -9.027 4.798 1.00 10.00 C HETATM 1341 CMD HEM A 201 4.954 -11.823 4.143 1.00 10.00 C HETATM 1342 CAD HEM A 201 7.991 -11.595 4.948 1.00 10.00 C HETATM 1343 CBD HEM A 201 8.110 -12.059 6.406 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.117 -11.226 7.189 1.00 10.00 C HETATM 1345 O1D HEM A 201 10.287 -11.198 6.749 1.00 10.00 O HETATM 1346 O2D HEM A 201 8.702 -10.621 8.198 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.249 -3.472 4.863 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.279 -4.792 5.467 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.237 -3.890 6.593 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.266 -0.876 4.756 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.855 0.068 4.223 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 8.035 -0.521 3.028 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.863 -4.134 3.188 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.042 -5.660 3.049 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.694 -4.927 1.604 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 3.896 -11.619 4.308 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.303 -12.547 4.879 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.094 -12.228 3.141 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.624 0.808 3.380 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.587 -0.030 4.771 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.553 -8.965 1.686 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 0.487 -7.597 0.904 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.501 -8.040 8.516 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.836 -7.658 8.121 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 12.195 -6.884 6.351 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.297 -8.376 6.158 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 8.410 -13.107 6.430 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 7.134 -11.995 6.888 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 8.980 -11.308 4.590 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.663 -12.437 4.338 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.307 -9.202 5.641 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.196 -2.859 4.591 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.996 -3.272 2.863 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.335 -9.724 3.275 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.229 -1.023 1.869 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.826 -8.874 3.688 1.00 10.00 H new