USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 770 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 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= -1.01 K(o=-1.3,f=-3.9!) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.245 K(o=-1.3,f=-3.9) USER MOD Set 2.1: A 30 TYR OH : rot -44:sc= 0.251 USER MOD Set 2.2: A 71 SER OG : rot -91:sc= 0.955 USER MOD Single : A 1 ASP N :NH3+ -119:sc= 0.78 (180deg=-0.406) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -3.98! X(o=-4!,f=-3.7) USER MOD Single : A 16 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.28) USER MOD Single : A 17 HIS : no HE2:sc= -0.558 K(o=-0.56,f=-1.9) 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 51:sc= 1.02 USER MOD Single : A 21 THR OG1 : rot -110:sc= -0.29 USER MOD Single : A 26 HIS : no HD1:sc= -1 X(o=-1,f=-1.3) USER MOD Single : A 27 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.09) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 135:sc= -1.21 USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= 0.349 (180deg=0.0182) USER MOD Single : A 55 THR OG1 : rot 106:sc= 1.43 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -57:sc= 0.476 USER MOD Single : A 80 HIS : no HD1:sc= -0.478 X(o=-0.48,f=-0.75) USER MOD Single : A 85 SER OG : rot -46:sc= 0.516 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -83:sc= 0.244 USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.16 (180deg=-0.315) USER MOD Single : A 95 HEM CMB :methyl -30:sc= -3.9! (180deg=-4.35) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -7.45! (180deg=-7.54!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -0.677 (180deg=-3.95!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -20.186 -3.158 11.219 1.00 9.37 N ATOM 2 CA ASP A 1 -20.002 -2.411 9.954 1.00 8.50 C ATOM 3 C ASP A 1 -20.399 -3.330 8.817 1.00 7.77 C ATOM 4 O ASP A 1 -20.692 -4.493 9.087 1.00 8.21 O ATOM 5 CB ASP A 1 -20.832 -1.128 9.942 1.00 9.44 C ATOM 6 CG ASP A 1 -20.515 -0.395 11.229 1.00 10.33 C ATOM 7 OD1 ASP A 1 -21.160 -0.785 12.226 1.00 11.15 O ATOM 8 OD2 ASP A 1 -19.497 0.321 11.246 1.00 10.46 O ATOM 0 H1 ASP A 1 -20.887 -2.669 11.812 1.00 9.37 H new ATOM 0 H2 ASP A 1 -20.521 -4.120 11.009 1.00 9.37 H new ATOM 0 H3 ASP A 1 -19.280 -3.210 11.726 1.00 9.37 H new ATOM 0 HA ASP A 1 -18.961 -2.107 9.846 1.00 8.50 H new ATOM 0 HB2 ASP A 1 -20.584 -0.515 9.076 1.00 9.44 H new ATOM 0 HB3 ASP A 1 -21.896 -1.356 9.878 1.00 9.44 H new ATOM 15 N LYS A 2 -20.458 -2.841 7.576 1.00 7.08 N ATOM 16 CA LYS A 2 -20.898 -3.635 6.438 1.00 6.78 C ATOM 17 C LYS A 2 -20.201 -3.118 5.192 1.00 5.76 C ATOM 18 O LYS A 2 -19.732 -1.981 5.184 1.00 5.91 O ATOM 19 CB LYS A 2 -22.432 -3.546 6.305 1.00 7.99 C ATOM 20 CG LYS A 2 -23.089 -4.830 6.840 1.00 8.73 C ATOM 21 CD LYS A 2 -24.406 -4.585 7.584 1.00 10.04 C ATOM 22 CE LYS A 2 -25.579 -4.423 6.615 1.00 10.90 C ATOM 23 NZ LYS A 2 -26.861 -4.287 7.342 1.00 12.19 N ATOM 0 H LYS A 2 -20.201 -1.883 7.337 1.00 7.08 H new ATOM 0 HA LYS A 2 -20.639 -4.684 6.577 1.00 6.78 H new ATOM 0 HB2 LYS A 2 -22.802 -2.682 6.857 1.00 7.99 H new ATOM 0 HB3 LYS A 2 -22.705 -3.397 5.260 1.00 7.99 H new ATOM 0 HG2 LYS A 2 -23.274 -5.507 6.006 1.00 8.73 H new ATOM 0 HG3 LYS A 2 -22.391 -5.332 7.510 1.00 8.73 H new ATOM 0 HD2 LYS A 2 -24.603 -5.418 8.259 1.00 10.04 H new ATOM 0 HD3 LYS A 2 -24.316 -3.690 8.200 1.00 10.04 H new ATOM 0 HE2 LYS A 2 -25.418 -3.545 5.989 1.00 10.90 H new ATOM 0 HE3 LYS A 2 -25.625 -5.285 5.949 1.00 10.90 H new ATOM 0 HZ1 LYS A 2 -27.638 -4.179 6.659 1.00 12.19 H new ATOM 0 HZ2 LYS A 2 -27.024 -5.136 7.920 1.00 12.19 H new ATOM 0 HZ3 LYS A 2 -26.823 -3.450 7.959 1.00 12.19 H new ATOM 37 N ASP A 3 -20.182 -3.963 4.159 1.00 5.49 N ATOM 38 CA ASP A 3 -19.407 -3.782 2.939 1.00 4.79 C ATOM 39 C ASP A 3 -17.925 -3.566 3.250 1.00 3.83 C ATOM 40 O ASP A 3 -17.489 -3.667 4.397 1.00 4.25 O ATOM 41 CB ASP A 3 -20.038 -2.693 2.055 1.00 5.47 C ATOM 42 CG ASP A 3 -21.391 -3.170 1.535 1.00 6.51 C ATOM 43 OD1 ASP A 3 -21.383 -4.232 0.873 1.00 7.25 O ATOM 44 OD2 ASP A 3 -22.405 -2.503 1.834 1.00 7.12 O ATOM 0 H ASP A 3 -20.729 -4.824 4.154 1.00 5.49 H new ATOM 0 HA ASP A 3 -19.441 -4.698 2.350 1.00 4.79 H new ATOM 0 HB2 ASP A 3 -20.161 -1.773 2.627 1.00 5.47 H new ATOM 0 HB3 ASP A 3 -19.378 -2.462 1.219 1.00 5.47 H new ATOM 49 N VAL A 4 -17.119 -3.351 2.214 1.00 2.79 N ATOM 50 CA VAL A 4 -15.710 -3.048 2.342 1.00 2.03 C ATOM 51 C VAL A 4 -15.468 -1.850 1.426 1.00 1.49 C ATOM 52 O VAL A 4 -16.210 -0.872 1.470 1.00 1.98 O ATOM 53 CB VAL A 4 -14.857 -4.296 2.036 1.00 1.58 C ATOM 54 CG1 VAL A 4 -13.442 -4.097 2.590 1.00 1.88 C ATOM 55 CG2 VAL A 4 -15.417 -5.581 2.654 1.00 2.16 C ATOM 0 H VAL A 4 -17.440 -3.385 1.246 1.00 2.79 H new ATOM 0 HA VAL A 4 -15.410 -2.780 3.355 1.00 2.03 H new ATOM 0 HB VAL A 4 -14.862 -4.409 0.952 1.00 1.58 H new ATOM 0 HG11 VAL A 4 -12.839 -4.979 2.374 1.00 1.88 H new ATOM 0 HG12 VAL A 4 -12.988 -3.223 2.122 1.00 1.88 H new ATOM 0 HG13 VAL A 4 -13.491 -3.947 3.668 1.00 1.88 H new ATOM 0 HG21 VAL A 4 -14.769 -6.420 2.400 1.00 2.16 H new ATOM 0 HG22 VAL A 4 -15.463 -5.474 3.738 1.00 2.16 H new ATOM 0 HG23 VAL A 4 -16.418 -5.765 2.265 1.00 2.16 H new ATOM 65 N LYS A 5 -14.438 -1.915 0.587 1.00 1.04 N ATOM 66 CA LYS A 5 -14.075 -0.826 -0.304 1.00 0.62 C ATOM 67 C LYS A 5 -13.825 -1.282 -1.735 1.00 0.77 C ATOM 68 O LYS A 5 -14.127 -0.518 -2.640 1.00 1.74 O ATOM 69 CB LYS A 5 -12.872 -0.096 0.280 1.00 0.90 C ATOM 70 CG LYS A 5 -13.266 1.036 1.233 1.00 1.60 C ATOM 71 CD LYS A 5 -13.875 2.207 0.464 1.00 1.65 C ATOM 72 CE LYS A 5 -13.742 3.483 1.295 1.00 2.60 C ATOM 73 NZ LYS A 5 -15.054 4.123 1.513 1.00 3.07 N ATOM 0 H LYS A 5 -13.831 -2.731 0.509 1.00 1.04 H new ATOM 0 HA LYS A 5 -14.921 -0.142 -0.372 1.00 0.62 H new ATOM 0 HB2 LYS A 5 -12.244 -0.810 0.812 1.00 0.90 H new ATOM 0 HB3 LYS A 5 -12.272 0.313 -0.533 1.00 0.90 H new ATOM 0 HG2 LYS A 5 -13.982 0.666 1.967 1.00 1.60 H new ATOM 0 HG3 LYS A 5 -12.389 1.374 1.785 1.00 1.60 H new ATOM 0 HD2 LYS A 5 -13.370 2.329 -0.494 1.00 1.65 H new ATOM 0 HD3 LYS A 5 -14.925 2.008 0.248 1.00 1.65 H new ATOM 0 HE2 LYS A 5 -13.286 3.247 2.257 1.00 2.60 H new ATOM 0 HE3 LYS A 5 -13.075 4.181 0.789 1.00 2.60 H new ATOM 0 HZ1 LYS A 5 -14.929 4.986 2.080 1.00 3.07 H new ATOM 0 HZ2 LYS A 5 -15.477 4.370 0.595 1.00 3.07 H new ATOM 0 HZ3 LYS A 5 -15.682 3.465 2.018 1.00 3.07 H new ATOM 87 N TYR A 6 -13.338 -2.515 -1.920 1.00 0.63 N ATOM 88 CA TYR A 6 -13.203 -3.213 -3.194 1.00 0.53 C ATOM 89 C TYR A 6 -12.866 -2.291 -4.367 1.00 0.49 C ATOM 90 O TYR A 6 -13.750 -1.909 -5.128 1.00 0.66 O ATOM 91 CB TYR A 6 -14.484 -4.012 -3.457 1.00 0.64 C ATOM 92 CG TYR A 6 -14.803 -5.051 -2.398 1.00 0.92 C ATOM 93 CD1 TYR A 6 -13.843 -6.021 -2.050 1.00 1.61 C ATOM 94 CD2 TYR A 6 -16.070 -5.065 -1.783 1.00 2.44 C ATOM 95 CE1 TYR A 6 -14.151 -7.008 -1.097 1.00 1.75 C ATOM 96 CE2 TYR A 6 -16.392 -6.061 -0.843 1.00 2.87 C ATOM 97 CZ TYR A 6 -15.432 -7.043 -0.503 1.00 1.88 C ATOM 98 OH TYR A 6 -15.734 -8.030 0.386 1.00 2.37 O ATOM 0 H TYR A 6 -13.010 -3.080 -1.137 1.00 0.63 H new ATOM 0 HA TYR A 6 -12.350 -3.887 -3.115 1.00 0.53 H new ATOM 0 HB2 TYR A 6 -15.321 -3.318 -3.532 1.00 0.64 H new ATOM 0 HB3 TYR A 6 -14.395 -4.510 -4.422 1.00 0.64 H new ATOM 0 HD1 TYR A 6 -12.869 -6.007 -2.516 1.00 1.61 H new ATOM 0 HD2 TYR A 6 -16.798 -4.308 -2.034 1.00 2.44 H new ATOM 0 HE1 TYR A 6 -13.407 -7.740 -0.819 1.00 1.75 H new ATOM 0 HE2 TYR A 6 -17.369 -6.076 -0.382 1.00 2.87 H new ATOM 0 HH TYR A 6 -16.653 -7.913 0.705 1.00 2.37 H new ATOM 108 N TYR A 7 -11.589 -1.951 -4.549 1.00 0.37 N ATOM 109 CA TYR A 7 -11.174 -1.027 -5.564 1.00 0.36 C ATOM 110 C TYR A 7 -10.608 -1.793 -6.762 1.00 0.40 C ATOM 111 O TYR A 7 -10.181 -2.943 -6.649 1.00 0.44 O ATOM 112 CB TYR A 7 -10.153 -0.100 -4.902 1.00 0.31 C ATOM 113 CG TYR A 7 -10.771 1.006 -4.069 1.00 0.34 C ATOM 114 CD1 TYR A 7 -11.539 1.995 -4.709 1.00 1.68 C ATOM 115 CD2 TYR A 7 -10.546 1.090 -2.684 1.00 1.72 C ATOM 116 CE1 TYR A 7 -12.023 3.104 -3.997 1.00 1.74 C ATOM 117 CE2 TYR A 7 -11.056 2.180 -1.957 1.00 1.75 C ATOM 118 CZ TYR A 7 -11.780 3.201 -2.609 1.00 0.62 C ATOM 119 OH TYR A 7 -12.162 4.306 -1.910 1.00 0.81 O ATOM 0 H TYR A 7 -10.823 -2.319 -3.986 1.00 0.37 H new ATOM 0 HA TYR A 7 -11.998 -0.433 -5.958 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -9.496 -0.695 -4.267 1.00 0.31 H new ATOM 0 HB3 TYR A 7 -9.529 0.348 -5.676 1.00 0.31 H new ATOM 0 HD1 TYR A 7 -11.759 1.900 -5.762 1.00 1.68 H new ATOM 0 HD2 TYR A 7 -9.983 0.319 -2.179 1.00 1.72 H new ATOM 0 HE1 TYR A 7 -12.577 3.878 -4.507 1.00 1.74 H new ATOM 0 HE2 TYR A 7 -10.892 2.236 -0.891 1.00 1.75 H new ATOM 0 HH TYR A 7 -12.957 4.699 -2.328 1.00 0.81 H new ATOM 129 N THR A 8 -10.604 -1.142 -7.922 1.00 0.47 N ATOM 130 CA THR A 8 -10.172 -1.703 -9.190 1.00 0.52 C ATOM 131 C THR A 8 -8.765 -1.206 -9.487 1.00 0.50 C ATOM 132 O THR A 8 -8.480 -0.046 -9.218 1.00 0.56 O ATOM 133 CB THR A 8 -11.130 -1.181 -10.272 1.00 0.58 C ATOM 134 OG1 THR A 8 -11.461 0.173 -10.019 1.00 0.71 O ATOM 135 CG2 THR A 8 -12.429 -1.973 -10.248 1.00 0.73 C ATOM 0 H THR A 8 -10.914 -0.174 -8.003 1.00 0.47 H new ATOM 0 HA THR A 8 -10.176 -2.793 -9.163 1.00 0.52 H new ATOM 0 HB THR A 8 -10.632 -1.284 -11.236 1.00 0.58 H new ATOM 0 HG1 THR A 8 -12.070 0.496 -10.715 1.00 0.71 H new ATOM 0 HG21 THR A 8 -13.100 -1.594 -11.019 1.00 0.73 H new ATOM 0 HG22 THR A 8 -12.217 -3.025 -10.436 1.00 0.73 H new ATOM 0 HG23 THR A 8 -12.902 -1.867 -9.272 1.00 0.73 H new ATOM 143 N LEU A 9 -7.894 -2.026 -10.086 1.00 0.56 N ATOM 144 CA LEU A 9 -6.490 -1.664 -10.305 1.00 0.57 C ATOM 145 C LEU A 9 -6.329 -0.269 -10.889 1.00 0.56 C ATOM 146 O LEU A 9 -5.418 0.448 -10.498 1.00 0.57 O ATOM 147 CB LEU A 9 -5.757 -2.637 -11.240 1.00 0.68 C ATOM 148 CG LEU A 9 -5.840 -4.113 -10.852 1.00 0.70 C ATOM 149 CD1 LEU A 9 -5.588 -4.301 -9.358 1.00 0.89 C ATOM 150 CD2 LEU A 9 -7.198 -4.689 -11.258 1.00 0.87 C ATOM 0 H LEU A 9 -8.141 -2.954 -10.431 1.00 0.56 H new ATOM 0 HA LEU A 9 -6.048 -1.707 -9.309 1.00 0.57 H new ATOM 0 HB2 LEU A 9 -6.161 -2.521 -12.246 1.00 0.68 H new ATOM 0 HB3 LEU A 9 -4.706 -2.350 -11.283 1.00 0.68 H new ATOM 0 HG LEU A 9 -5.061 -4.656 -11.387 1.00 0.70 H new ATOM 0 HD11 LEU A 9 -5.653 -5.360 -9.109 1.00 0.89 H new ATOM 0 HD12 LEU A 9 -4.595 -3.929 -9.107 1.00 0.89 H new ATOM 0 HD13 LEU A 9 -6.336 -3.748 -8.790 1.00 0.89 H new ATOM 0 HD21 LEU A 9 -7.246 -5.741 -10.977 1.00 0.87 H new ATOM 0 HD22 LEU A 9 -7.992 -4.141 -10.750 1.00 0.87 H new ATOM 0 HD23 LEU A 9 -7.325 -4.596 -12.337 1.00 0.87 H new ATOM 162 N GLU A 10 -7.209 0.114 -11.813 1.00 0.59 N ATOM 163 CA GLU A 10 -7.158 1.417 -12.457 1.00 0.66 C ATOM 164 C GLU A 10 -7.217 2.537 -11.412 1.00 0.63 C ATOM 165 O GLU A 10 -6.413 3.464 -11.436 1.00 0.72 O ATOM 166 CB GLU A 10 -8.320 1.507 -13.459 1.00 0.76 C ATOM 167 CG GLU A 10 -8.018 2.479 -14.602 1.00 1.36 C ATOM 168 CD GLU A 10 -7.087 1.844 -15.644 1.00 2.44 C ATOM 169 OE1 GLU A 10 -5.962 1.441 -15.258 1.00 3.94 O ATOM 170 OE2 GLU A 10 -7.522 1.748 -16.811 1.00 2.94 O ATOM 0 H GLU A 10 -7.977 -0.475 -12.134 1.00 0.59 H new ATOM 0 HA GLU A 10 -6.217 1.538 -12.993 1.00 0.66 H new ATOM 0 HB2 GLU A 10 -8.523 0.517 -13.869 1.00 0.76 H new ATOM 0 HB3 GLU A 10 -9.223 1.828 -12.939 1.00 0.76 H new ATOM 0 HG2 GLU A 10 -8.950 2.782 -15.080 1.00 1.36 H new ATOM 0 HG3 GLU A 10 -7.557 3.382 -14.202 1.00 1.36 H new ATOM 177 N GLU A 11 -8.135 2.416 -10.450 1.00 0.58 N ATOM 178 CA GLU A 11 -8.282 3.354 -9.347 1.00 0.56 C ATOM 179 C GLU A 11 -7.045 3.319 -8.452 1.00 0.43 C ATOM 180 O GLU A 11 -6.534 4.365 -8.063 1.00 0.43 O ATOM 181 CB GLU A 11 -9.558 3.021 -8.558 1.00 0.62 C ATOM 182 CG GLU A 11 -9.771 3.880 -7.304 1.00 1.20 C ATOM 183 CD GLU A 11 -10.077 5.355 -7.622 1.00 1.36 C ATOM 184 OE1 GLU A 11 -9.302 5.978 -8.384 1.00 2.39 O ATOM 185 OE2 GLU A 11 -11.132 5.840 -7.154 1.00 1.79 O ATOM 0 H GLU A 11 -8.806 1.648 -10.420 1.00 0.58 H new ATOM 0 HA GLU A 11 -8.374 4.367 -9.738 1.00 0.56 H new ATOM 0 HB2 GLU A 11 -10.419 3.141 -9.216 1.00 0.62 H new ATOM 0 HB3 GLU A 11 -9.525 1.972 -8.264 1.00 0.62 H new ATOM 0 HG2 GLU A 11 -10.592 3.463 -6.721 1.00 1.20 H new ATOM 0 HG3 GLU A 11 -8.879 3.827 -6.680 1.00 1.20 H new ATOM 192 N ILE A 12 -6.490 2.142 -8.146 1.00 0.38 N ATOM 193 CA ILE A 12 -5.260 2.101 -7.370 1.00 0.37 C ATOM 194 C ILE A 12 -4.136 2.845 -8.106 1.00 0.39 C ATOM 195 O ILE A 12 -3.321 3.555 -7.509 1.00 0.44 O ATOM 196 CB ILE A 12 -4.906 0.638 -7.061 1.00 0.43 C ATOM 197 CG1 ILE A 12 -5.938 0.086 -6.068 1.00 0.40 C ATOM 198 CG2 ILE A 12 -3.508 0.546 -6.434 1.00 0.58 C ATOM 199 CD1 ILE A 12 -7.175 -0.575 -6.653 1.00 0.90 C ATOM 0 H ILE A 12 -6.864 1.233 -8.417 1.00 0.38 H new ATOM 0 HA ILE A 12 -5.397 2.616 -6.419 1.00 0.37 H new ATOM 0 HB ILE A 12 -4.915 0.061 -7.986 1.00 0.43 H new ATOM 0 HG12 ILE A 12 -5.437 -0.640 -5.428 1.00 0.40 H new ATOM 0 HG13 ILE A 12 -6.263 0.906 -5.427 1.00 0.40 H new ATOM 0 HG21 ILE A 12 -3.273 -0.497 -6.221 1.00 0.58 H new ATOM 0 HG22 ILE A 12 -2.771 0.950 -7.128 1.00 0.58 H new ATOM 0 HG23 ILE A 12 -3.486 1.119 -5.507 1.00 0.58 H new ATOM 0 HD11 ILE A 12 -7.820 -0.920 -5.845 1.00 0.90 H new ATOM 0 HD12 ILE A 12 -7.716 0.145 -7.267 1.00 0.90 H new ATOM 0 HD13 ILE A 12 -6.877 -1.425 -7.267 1.00 0.90 H new ATOM 211 N LYS A 13 -4.134 2.758 -9.435 1.00 0.38 N ATOM 212 CA LYS A 13 -3.160 3.407 -10.299 1.00 0.46 C ATOM 213 C LYS A 13 -3.560 4.853 -10.588 1.00 0.53 C ATOM 214 O LYS A 13 -2.906 5.513 -11.390 1.00 0.84 O ATOM 215 CB LYS A 13 -2.970 2.548 -11.557 1.00 0.61 C ATOM 216 CG LYS A 13 -2.190 1.291 -11.129 1.00 1.11 C ATOM 217 CD LYS A 13 -2.592 -0.017 -11.818 1.00 1.15 C ATOM 218 CE LYS A 13 -1.714 -0.347 -13.024 1.00 1.57 C ATOM 219 NZ LYS A 13 -2.278 0.189 -14.282 1.00 2.15 N ATOM 0 H LYS A 13 -4.830 2.219 -9.950 1.00 0.38 H new ATOM 0 HA LYS A 13 -2.192 3.478 -9.802 1.00 0.46 H new ATOM 0 HB2 LYS A 13 -3.934 2.276 -11.988 1.00 0.61 H new ATOM 0 HB3 LYS A 13 -2.423 3.100 -12.322 1.00 0.61 H new ATOM 0 HG2 LYS A 13 -1.130 1.465 -11.314 1.00 1.11 H new ATOM 0 HG3 LYS A 13 -2.309 1.163 -10.053 1.00 1.11 H new ATOM 0 HD2 LYS A 13 -2.534 -0.834 -11.098 1.00 1.15 H new ATOM 0 HD3 LYS A 13 -3.631 0.052 -12.139 1.00 1.15 H new ATOM 0 HE2 LYS A 13 -0.716 0.064 -12.870 1.00 1.57 H new ATOM 0 HE3 LYS A 13 -1.604 -1.428 -13.108 1.00 1.57 H new ATOM 0 HZ1 LYS A 13 -1.652 -0.057 -15.075 1.00 2.15 H new ATOM 0 HZ2 LYS A 13 -3.219 -0.222 -14.443 1.00 2.15 H new ATOM 0 HZ3 LYS A 13 -2.359 1.224 -14.213 1.00 2.15 H new ATOM 233 N LYS A 14 -4.540 5.388 -9.859 1.00 0.50 N ATOM 234 CA LYS A 14 -4.990 6.769 -9.946 1.00 0.57 C ATOM 235 C LYS A 14 -4.955 7.456 -8.575 1.00 0.54 C ATOM 236 O LYS A 14 -5.298 8.632 -8.468 1.00 0.82 O ATOM 237 CB LYS A 14 -6.371 6.754 -10.617 1.00 0.88 C ATOM 238 CG LYS A 14 -6.966 8.147 -10.850 1.00 1.25 C ATOM 239 CD LYS A 14 -8.128 8.366 -9.880 1.00 2.36 C ATOM 240 CE LYS A 14 -8.489 9.843 -9.773 1.00 3.77 C ATOM 241 NZ LYS A 14 -9.678 10.013 -8.914 1.00 4.89 N ATOM 0 H LYS A 14 -5.059 4.847 -9.167 1.00 0.50 H new ATOM 0 HA LYS A 14 -4.319 7.373 -10.557 1.00 0.57 H new ATOM 0 HB2 LYS A 14 -6.293 6.239 -11.574 1.00 0.88 H new ATOM 0 HB3 LYS A 14 -7.058 6.176 -9.999 1.00 0.88 H new ATOM 0 HG2 LYS A 14 -6.203 8.911 -10.701 1.00 1.25 H new ATOM 0 HG3 LYS A 14 -7.313 8.240 -11.879 1.00 1.25 H new ATOM 0 HD2 LYS A 14 -8.997 7.800 -10.216 1.00 2.36 H new ATOM 0 HD3 LYS A 14 -7.860 7.983 -8.895 1.00 2.36 H new ATOM 0 HE2 LYS A 14 -7.649 10.402 -9.360 1.00 3.77 H new ATOM 0 HE3 LYS A 14 -8.686 10.250 -10.765 1.00 3.77 H new ATOM 0 HZ1 LYS A 14 -9.916 11.023 -8.847 1.00 4.89 H new ATOM 0 HZ2 LYS A 14 -10.480 9.494 -9.325 1.00 4.89 H new ATOM 0 HZ3 LYS A 14 -9.476 9.641 -7.964 1.00 4.89 H new ATOM 255 N HIS A 15 -4.470 6.783 -7.524 1.00 0.53 N ATOM 256 CA HIS A 15 -4.305 7.423 -6.227 1.00 0.80 C ATOM 257 C HIS A 15 -2.880 7.924 -5.999 1.00 1.16 C ATOM 258 O HIS A 15 -2.662 8.798 -5.168 1.00 2.71 O ATOM 259 CB HIS A 15 -4.789 6.449 -5.150 1.00 0.96 C ATOM 260 CG HIS A 15 -6.278 6.545 -4.980 1.00 0.92 C ATOM 261 ND1 HIS A 15 -6.953 7.610 -4.428 1.00 1.17 N ATOM 262 CD2 HIS A 15 -7.203 5.615 -5.355 1.00 0.93 C ATOM 263 CE1 HIS A 15 -8.262 7.303 -4.438 1.00 1.24 C ATOM 264 NE2 HIS A 15 -8.462 6.104 -4.997 1.00 1.05 N ATOM 0 H HIS A 15 -4.189 5.803 -7.552 1.00 0.53 H new ATOM 0 HA HIS A 15 -4.913 8.327 -6.181 1.00 0.80 H new ATOM 0 HB2 HIS A 15 -4.514 5.430 -5.423 1.00 0.96 H new ATOM 0 HB3 HIS A 15 -4.295 6.670 -4.204 1.00 0.96 H new ATOM 0 HD1 HIS A 15 -6.537 8.472 -4.076 1.00 1.17 H new ATOM 0 HD2 HIS A 15 -6.999 4.672 -5.840 1.00 0.93 H new ATOM 0 HE1 HIS A 15 -9.045 7.937 -4.048 1.00 1.24 H new ATOM 272 N ASN A 16 -1.916 7.444 -6.784 1.00 0.84 N ATOM 273 CA ASN A 16 -0.492 7.768 -6.678 1.00 0.84 C ATOM 274 C ASN A 16 -0.187 9.217 -7.083 1.00 1.15 C ATOM 275 O ASN A 16 0.437 9.474 -8.105 1.00 1.78 O ATOM 276 CB ASN A 16 0.354 6.759 -7.481 1.00 0.78 C ATOM 277 CG ASN A 16 -0.059 6.611 -8.939 1.00 1.17 C ATOM 278 OD1 ASN A 16 0.500 7.221 -9.839 1.00 2.15 O ATOM 279 ND2 ASN A 16 -1.046 5.768 -9.202 1.00 1.88 N ATOM 0 H ASN A 16 -2.113 6.792 -7.543 1.00 0.84 H new ATOM 0 HA ASN A 16 -0.216 7.684 -5.627 1.00 0.84 H new ATOM 0 HB2 ASN A 16 1.399 7.067 -7.442 1.00 0.78 H new ATOM 0 HB3 ASN A 16 0.291 5.784 -6.997 1.00 0.78 H new ATOM 0 HD21 ASN A 16 -1.348 5.621 -10.165 1.00 1.88 H new ATOM 0 HD22 ASN A 16 -1.504 5.265 -8.442 1.00 1.88 H new ATOM 286 N HIS A 17 -0.569 10.189 -6.253 1.00 0.87 N ATOM 287 CA HIS A 17 -0.430 11.607 -6.563 1.00 1.26 C ATOM 288 C HIS A 17 0.074 12.384 -5.344 1.00 1.43 C ATOM 289 O HIS A 17 -0.192 13.578 -5.204 1.00 3.08 O ATOM 290 CB HIS A 17 -1.753 12.150 -7.123 1.00 1.45 C ATOM 291 CG HIS A 17 -2.855 12.325 -6.108 1.00 2.07 C ATOM 292 ND1 HIS A 17 -3.026 13.426 -5.302 1.00 3.66 N ATOM 293 CD2 HIS A 17 -3.906 11.477 -5.886 1.00 2.46 C ATOM 294 CE1 HIS A 17 -4.161 13.242 -4.605 1.00 5.05 C ATOM 295 NE2 HIS A 17 -4.729 12.070 -4.925 1.00 4.35 N ATOM 0 H HIS A 17 -0.987 10.009 -5.340 1.00 0.87 H new ATOM 0 HA HIS A 17 0.325 11.741 -7.338 1.00 1.26 H new ATOM 0 HB2 HIS A 17 -1.561 13.113 -7.597 1.00 1.45 H new ATOM 0 HB3 HIS A 17 -2.103 11.475 -7.904 1.00 1.45 H new ATOM 0 HD1 HIS A 17 -2.406 14.234 -5.244 1.00 3.66 H new ATOM 0 HD2 HIS A 17 -4.069 10.523 -6.366 1.00 2.46 H new ATOM 0 HE1 HIS A 17 -4.560 13.942 -3.886 1.00 5.05 H new ATOM 303 N SER A 18 0.769 11.697 -4.429 1.00 1.31 N ATOM 304 CA SER A 18 1.310 12.225 -3.180 1.00 1.35 C ATOM 305 C SER A 18 0.211 12.310 -2.124 1.00 1.37 C ATOM 306 O SER A 18 0.327 11.696 -1.070 1.00 2.61 O ATOM 307 CB SER A 18 2.018 13.572 -3.399 1.00 1.47 C ATOM 308 OG SER A 18 2.781 13.940 -2.269 1.00 1.96 O ATOM 0 H SER A 18 0.978 10.706 -4.551 1.00 1.31 H new ATOM 0 HA SER A 18 2.070 11.537 -2.811 1.00 1.35 H new ATOM 0 HB2 SER A 18 2.666 13.507 -4.273 1.00 1.47 H new ATOM 0 HB3 SER A 18 1.278 14.345 -3.608 1.00 1.47 H new ATOM 0 HG SER A 18 3.221 14.799 -2.437 1.00 1.96 H new ATOM 314 N LYS A 19 -0.900 12.994 -2.407 1.00 0.87 N ATOM 315 CA LYS A 19 -2.011 13.133 -1.474 1.00 0.89 C ATOM 316 C LYS A 19 -2.949 11.913 -1.472 1.00 0.96 C ATOM 317 O LYS A 19 -4.105 12.070 -1.107 1.00 1.63 O ATOM 318 CB LYS A 19 -2.737 14.469 -1.743 1.00 1.20 C ATOM 319 CG LYS A 19 -2.156 15.607 -0.894 1.00 2.39 C ATOM 320 CD LYS A 19 -1.001 16.323 -1.602 1.00 3.49 C ATOM 321 CE LYS A 19 -0.068 16.935 -0.554 1.00 4.92 C ATOM 322 NZ LYS A 19 1.025 17.714 -1.175 1.00 6.31 N ATOM 0 H LYS A 19 -1.051 13.469 -3.297 1.00 0.87 H new ATOM 0 HA LYS A 19 -1.615 13.162 -0.459 1.00 0.89 H new ATOM 0 HB2 LYS A 19 -2.653 14.723 -2.800 1.00 1.20 H new ATOM 0 HB3 LYS A 19 -3.799 14.357 -1.525 1.00 1.20 H new ATOM 0 HG2 LYS A 19 -2.942 16.326 -0.666 1.00 2.39 H new ATOM 0 HG3 LYS A 19 -1.805 15.206 0.057 1.00 2.39 H new ATOM 0 HD2 LYS A 19 -0.452 15.620 -2.229 1.00 3.49 H new ATOM 0 HD3 LYS A 19 -1.389 17.101 -2.260 1.00 3.49 H new ATOM 0 HE2 LYS A 19 -0.642 17.581 0.110 1.00 4.92 H new ATOM 0 HE3 LYS A 19 0.356 16.142 0.062 1.00 4.92 H new ATOM 0 HZ1 LYS A 19 1.634 18.111 -0.431 1.00 6.31 H new ATOM 0 HZ2 LYS A 19 1.589 17.092 -1.789 1.00 6.31 H new ATOM 0 HZ3 LYS A 19 0.622 18.487 -1.742 1.00 6.31 H new ATOM 336 N SER A 20 -2.447 10.732 -1.852 1.00 0.60 N ATOM 337 CA SER A 20 -3.106 9.426 -1.774 1.00 0.61 C ATOM 338 C SER A 20 -2.116 8.332 -2.196 1.00 0.66 C ATOM 339 O SER A 20 -2.478 7.411 -2.914 1.00 1.47 O ATOM 340 CB SER A 20 -4.388 9.382 -2.617 1.00 0.77 C ATOM 341 OG SER A 20 -5.483 9.812 -1.834 1.00 1.45 O ATOM 0 H SER A 20 -1.509 10.660 -2.247 1.00 0.60 H new ATOM 0 HA SER A 20 -3.411 9.250 -0.743 1.00 0.61 H new ATOM 0 HB2 SER A 20 -4.281 10.021 -3.494 1.00 0.77 H new ATOM 0 HB3 SER A 20 -4.562 8.369 -2.980 1.00 0.77 H new ATOM 0 HG SER A 20 -5.266 10.669 -1.411 1.00 1.45 H new ATOM 347 N THR A 21 -0.849 8.404 -1.774 1.00 0.63 N ATOM 348 CA THR A 21 0.089 7.288 -1.861 1.00 0.48 C ATOM 349 C THR A 21 -0.548 5.972 -1.399 1.00 0.43 C ATOM 350 O THR A 21 -0.534 5.617 -0.217 1.00 0.48 O ATOM 351 CB THR A 21 1.333 7.625 -1.042 1.00 0.47 C ATOM 352 OG1 THR A 21 1.769 8.906 -1.447 1.00 0.64 O ATOM 353 CG2 THR A 21 2.468 6.633 -1.273 1.00 0.56 C ATOM 0 H THR A 21 -0.447 9.245 -1.360 1.00 0.63 H new ATOM 0 HA THR A 21 0.371 7.141 -2.903 1.00 0.48 H new ATOM 0 HB THR A 21 1.074 7.586 0.016 1.00 0.47 H new ATOM 0 HG1 THR A 21 2.610 8.824 -1.943 1.00 0.64 H new ATOM 0 HG21 THR A 21 3.329 6.917 -0.668 1.00 0.56 H new ATOM 0 HG22 THR A 21 2.140 5.633 -0.990 1.00 0.56 H new ATOM 0 HG23 THR A 21 2.748 6.639 -2.327 1.00 0.56 H new ATOM 361 N TRP A 22 -1.120 5.251 -2.358 1.00 0.45 N ATOM 362 CA TRP A 22 -1.633 3.908 -2.212 1.00 0.43 C ATOM 363 C TRP A 22 -0.589 2.957 -2.739 1.00 0.42 C ATOM 364 O TRP A 22 0.403 3.390 -3.315 1.00 0.44 O ATOM 365 CB TRP A 22 -2.911 3.767 -3.037 1.00 0.49 C ATOM 366 CG TRP A 22 -4.122 4.356 -2.408 1.00 0.43 C ATOM 367 CD1 TRP A 22 -4.138 5.267 -1.415 1.00 0.46 C ATOM 368 CD2 TRP A 22 -5.515 4.057 -2.692 1.00 0.41 C ATOM 369 NE1 TRP A 22 -5.437 5.562 -1.079 1.00 0.42 N ATOM 370 CE2 TRP A 22 -6.331 4.853 -1.840 1.00 0.42 C ATOM 371 CE3 TRP A 22 -6.161 3.186 -3.587 1.00 0.47 C ATOM 372 CZ2 TRP A 22 -7.727 4.808 -1.885 1.00 0.50 C ATOM 373 CZ3 TRP A 22 -7.565 3.137 -3.658 1.00 0.56 C ATOM 374 CH2 TRP A 22 -8.338 3.964 -2.824 1.00 0.59 C ATOM 0 H TRP A 22 -1.241 5.613 -3.304 1.00 0.45 H new ATOM 0 HA TRP A 22 -1.856 3.691 -1.167 1.00 0.43 H new ATOM 0 HB2 TRP A 22 -2.755 4.239 -4.007 1.00 0.49 H new ATOM 0 HB3 TRP A 22 -3.093 2.708 -3.223 1.00 0.49 H new ATOM 0 HD1 TRP A 22 -3.263 5.699 -0.953 1.00 0.46 H new ATOM 0 HE1 TRP A 22 -5.704 6.227 -0.353 1.00 0.42 H new ATOM 0 HE3 TRP A 22 -5.572 2.547 -4.228 1.00 0.47 H new ATOM 0 HZ2 TRP A 22 -8.321 5.409 -1.213 1.00 0.50 H new ATOM 0 HZ3 TRP A 22 -8.048 2.465 -4.352 1.00 0.56 H new ATOM 0 HH2 TRP A 22 -9.415 3.949 -2.907 1.00 0.59 H new ATOM 385 N LEU A 23 -0.837 1.665 -2.584 1.00 0.41 N ATOM 386 CA LEU A 23 0.004 0.602 -3.088 1.00 0.42 C ATOM 387 C LEU A 23 -0.772 -0.707 -2.945 1.00 0.45 C ATOM 388 O LEU A 23 -1.732 -0.783 -2.175 1.00 0.50 O ATOM 389 CB LEU A 23 1.368 0.657 -2.369 1.00 0.38 C ATOM 390 CG LEU A 23 1.322 0.849 -0.838 1.00 0.37 C ATOM 391 CD1 LEU A 23 0.951 -0.440 -0.135 1.00 0.46 C ATOM 392 CD2 LEU A 23 2.705 1.290 -0.341 1.00 0.44 C ATOM 0 H LEU A 23 -1.658 1.322 -2.086 1.00 0.41 H new ATOM 0 HA LEU A 23 0.243 0.702 -4.147 1.00 0.42 H new ATOM 0 HB2 LEU A 23 1.906 -0.267 -2.583 1.00 0.38 H new ATOM 0 HB3 LEU A 23 1.950 1.472 -2.800 1.00 0.38 H new ATOM 0 HG LEU A 23 0.569 1.604 -0.614 1.00 0.37 H new ATOM 0 HD11 LEU A 23 0.927 -0.273 0.942 1.00 0.46 H new ATOM 0 HD12 LEU A 23 -0.031 -0.769 -0.473 1.00 0.46 H new ATOM 0 HD13 LEU A 23 1.690 -1.207 -0.367 1.00 0.46 H new ATOM 0 HD21 LEU A 23 2.677 1.427 0.740 1.00 0.44 H new ATOM 0 HD22 LEU A 23 3.442 0.527 -0.591 1.00 0.44 H new ATOM 0 HD23 LEU A 23 2.980 2.230 -0.818 1.00 0.44 H new ATOM 404 N ILE A 24 -0.380 -1.742 -3.683 1.00 0.51 N ATOM 405 CA ILE A 24 -0.849 -3.086 -3.504 1.00 0.51 C ATOM 406 C ILE A 24 0.292 -3.729 -2.752 1.00 0.63 C ATOM 407 O ILE A 24 1.345 -4.033 -3.315 1.00 0.67 O ATOM 408 CB ILE A 24 -1.045 -3.728 -4.889 1.00 0.54 C ATOM 409 CG1 ILE A 24 -2.419 -3.387 -5.461 1.00 0.66 C ATOM 410 CG2 ILE A 24 -0.943 -5.262 -4.924 1.00 1.04 C ATOM 411 CD1 ILE A 24 -3.470 -2.784 -4.523 1.00 2.30 C ATOM 0 H ILE A 24 0.295 -1.651 -4.443 1.00 0.51 H new ATOM 0 HA ILE A 24 -1.800 -3.179 -2.980 1.00 0.51 H new ATOM 0 HB ILE A 24 -0.224 -3.313 -5.473 1.00 0.54 H new ATOM 0 HG12 ILE A 24 -2.271 -2.690 -6.286 1.00 0.66 H new ATOM 0 HG13 ILE A 24 -2.838 -4.299 -5.886 1.00 0.66 H new ATOM 0 HG21 ILE A 24 -1.096 -5.614 -5.944 1.00 1.04 H new ATOM 0 HG22 ILE A 24 0.044 -5.569 -4.579 1.00 1.04 H new ATOM 0 HG23 ILE A 24 -1.705 -5.692 -4.274 1.00 1.04 H new ATOM 0 HD11 ILE A 24 -4.390 -2.599 -5.078 1.00 2.30 H new ATOM 0 HD12 ILE A 24 -3.672 -3.479 -3.708 1.00 2.30 H new ATOM 0 HD13 ILE A 24 -3.097 -1.845 -4.115 1.00 2.30 H new ATOM 423 N LEU A 25 0.106 -3.867 -1.449 1.00 0.76 N ATOM 424 CA LEU A 25 0.855 -4.847 -0.716 1.00 0.72 C ATOM 425 C LEU A 25 -0.059 -6.025 -0.560 1.00 0.87 C ATOM 426 O LEU A 25 -1.040 -5.951 0.169 1.00 1.34 O ATOM 427 CB LEU A 25 1.321 -4.272 0.617 1.00 0.67 C ATOM 428 CG LEU A 25 2.625 -3.524 0.374 1.00 0.65 C ATOM 429 CD1 LEU A 25 2.925 -2.586 1.536 1.00 0.74 C ATOM 430 CD2 LEU A 25 3.758 -4.505 0.185 1.00 0.71 C ATOM 0 H LEU A 25 -0.549 -3.317 -0.893 1.00 0.76 H new ATOM 0 HA LEU A 25 1.766 -5.150 -1.232 1.00 0.72 H new ATOM 0 HB2 LEU A 25 0.567 -3.601 1.027 1.00 0.67 H new ATOM 0 HB3 LEU A 25 1.468 -5.069 1.346 1.00 0.67 H new ATOM 0 HG LEU A 25 2.522 -2.927 -0.532 1.00 0.65 H new ATOM 0 HD11 LEU A 25 3.860 -2.059 1.346 1.00 0.74 H new ATOM 0 HD12 LEU A 25 2.116 -1.863 1.638 1.00 0.74 H new ATOM 0 HD13 LEU A 25 3.014 -3.164 2.456 1.00 0.74 H new ATOM 0 HD21 LEU A 25 4.686 -3.960 0.012 1.00 0.71 H new ATOM 0 HD22 LEU A 25 3.860 -5.120 1.079 1.00 0.71 H new ATOM 0 HD23 LEU A 25 3.547 -5.144 -0.673 1.00 0.71 H new ATOM 442 N HIS A 26 0.248 -7.110 -1.262 1.00 0.78 N ATOM 443 CA HIS A 26 -0.596 -8.282 -1.275 1.00 0.93 C ATOM 444 C HIS A 26 -1.947 -7.942 -1.924 1.00 1.26 C ATOM 445 O HIS A 26 -2.224 -6.814 -2.303 1.00 2.92 O ATOM 446 CB HIS A 26 -0.754 -8.824 0.167 1.00 0.97 C ATOM 447 CG HIS A 26 0.489 -8.694 1.026 1.00 1.18 C ATOM 448 ND1 HIS A 26 1.689 -9.339 0.830 1.00 1.96 N ATOM 449 CD2 HIS A 26 0.658 -7.836 2.084 1.00 1.44 C ATOM 450 CE1 HIS A 26 2.552 -8.886 1.757 1.00 2.39 C ATOM 451 NE2 HIS A 26 1.967 -7.974 2.549 1.00 2.08 N ATOM 0 H HIS A 26 1.088 -7.194 -1.834 1.00 0.78 H new ATOM 0 HA HIS A 26 -0.138 -9.070 -1.873 1.00 0.93 H new ATOM 0 HB2 HIS A 26 -1.574 -8.295 0.653 1.00 0.97 H new ATOM 0 HB3 HIS A 26 -1.038 -9.875 0.118 1.00 0.97 H new ATOM 0 HD2 HIS A 26 -0.091 -7.170 2.487 1.00 1.44 H new ATOM 0 HE1 HIS A 26 3.577 -9.212 1.851 1.00 2.39 H new ATOM 0 HE2 HIS A 26 2.393 -7.481 3.333 1.00 2.08 H new ATOM 459 N HIS A 27 -2.797 -8.949 -2.049 1.00 0.66 N ATOM 460 CA HIS A 27 -4.237 -8.973 -2.300 1.00 0.88 C ATOM 461 C HIS A 27 -5.097 -8.045 -1.417 1.00 0.80 C ATOM 462 O HIS A 27 -6.298 -8.276 -1.292 1.00 0.80 O ATOM 463 CB HIS A 27 -4.723 -10.437 -2.235 1.00 1.11 C ATOM 464 CG HIS A 27 -4.526 -11.128 -0.905 1.00 2.12 C ATOM 465 ND1 HIS A 27 -3.414 -11.841 -0.509 1.00 2.63 N ATOM 466 CD2 HIS A 27 -5.457 -11.232 0.095 1.00 3.69 C ATOM 467 CE1 HIS A 27 -3.663 -12.333 0.718 1.00 3.56 C ATOM 468 NE2 HIS A 27 -4.885 -11.969 1.139 1.00 4.31 N ATOM 0 H HIS A 27 -2.446 -9.903 -1.965 1.00 0.66 H new ATOM 0 HA HIS A 27 -4.380 -8.554 -3.296 1.00 0.88 H new ATOM 0 HB2 HIS A 27 -5.784 -10.461 -2.484 1.00 1.11 H new ATOM 0 HB3 HIS A 27 -4.202 -11.009 -3.003 1.00 1.11 H new ATOM 0 HD2 HIS A 27 -6.455 -10.819 0.080 1.00 3.69 H new ATOM 0 HE1 HIS A 27 -2.973 -12.939 1.287 1.00 3.56 H new ATOM 0 HE2 HIS A 27 -5.312 -12.186 2.040 1.00 4.31 H new ATOM 476 N LYS A 28 -4.542 -6.997 -0.801 1.00 0.88 N ATOM 477 CA LYS A 28 -5.289 -5.939 -0.159 1.00 0.67 C ATOM 478 C LYS A 28 -4.706 -4.606 -0.619 1.00 0.57 C ATOM 479 O LYS A 28 -3.527 -4.528 -0.950 1.00 0.83 O ATOM 480 CB LYS A 28 -5.214 -6.093 1.362 1.00 0.83 C ATOM 481 CG LYS A 28 -6.329 -7.011 1.872 1.00 1.06 C ATOM 482 CD LYS A 28 -6.029 -8.512 1.915 1.00 1.32 C ATOM 483 CE LYS A 28 -6.073 -9.025 3.356 1.00 1.44 C ATOM 484 NZ LYS A 28 -4.768 -8.869 4.030 1.00 2.45 N ATOM 0 H LYS A 28 -3.532 -6.868 -0.740 1.00 0.88 H new ATOM 0 HA LYS A 28 -6.343 -5.985 -0.435 1.00 0.67 H new ATOM 0 HB2 LYS A 28 -4.243 -6.502 1.643 1.00 0.83 H new ATOM 0 HB3 LYS A 28 -5.297 -5.115 1.836 1.00 0.83 H new ATOM 0 HG2 LYS A 28 -6.598 -6.690 2.879 1.00 1.06 H new ATOM 0 HG3 LYS A 28 -7.207 -6.859 1.244 1.00 1.06 H new ATOM 0 HD2 LYS A 28 -6.756 -9.052 1.308 1.00 1.32 H new ATOM 0 HD3 LYS A 28 -5.047 -8.705 1.483 1.00 1.32 H new ATOM 0 HE2 LYS A 28 -6.837 -8.483 3.912 1.00 1.44 H new ATOM 0 HE3 LYS A 28 -6.361 -10.076 3.360 1.00 1.44 H new ATOM 0 HZ1 LYS A 28 -4.835 -9.227 5.004 1.00 2.45 H new ATOM 0 HZ2 LYS A 28 -4.044 -9.407 3.513 1.00 2.45 H new ATOM 0 HZ3 LYS A 28 -4.505 -7.863 4.048 1.00 2.45 H new ATOM 498 N VAL A 29 -5.510 -3.547 -0.654 1.00 0.37 N ATOM 499 CA VAL A 29 -5.054 -2.255 -1.058 1.00 0.42 C ATOM 500 C VAL A 29 -4.751 -1.494 0.219 1.00 0.41 C ATOM 501 O VAL A 29 -5.556 -1.496 1.154 1.00 0.46 O ATOM 502 CB VAL A 29 -6.185 -1.576 -1.819 1.00 0.41 C ATOM 503 CG1 VAL A 29 -5.642 -0.366 -2.531 1.00 1.31 C ATOM 504 CG2 VAL A 29 -6.970 -2.456 -2.788 1.00 0.79 C ATOM 0 H VAL A 29 -6.497 -3.579 -0.399 1.00 0.37 H new ATOM 0 HA VAL A 29 -4.172 -2.299 -1.697 1.00 0.42 H new ATOM 0 HB VAL A 29 -6.919 -1.304 -1.061 1.00 0.41 H new ATOM 0 HG11 VAL A 29 -6.446 0.126 -3.078 1.00 1.31 H new ATOM 0 HG12 VAL A 29 -5.223 0.327 -1.802 1.00 1.31 H new ATOM 0 HG13 VAL A 29 -4.863 -0.674 -3.229 1.00 1.31 H new ATOM 0 HG21 VAL A 29 -7.747 -1.863 -3.270 1.00 0.79 H new ATOM 0 HG22 VAL A 29 -6.295 -2.854 -3.546 1.00 0.79 H new ATOM 0 HG23 VAL A 29 -7.429 -3.280 -2.241 1.00 0.79 H new ATOM 514 N TYR A 30 -3.610 -0.823 0.261 1.00 0.38 N ATOM 515 CA TYR A 30 -3.159 -0.121 1.424 1.00 0.39 C ATOM 516 C TYR A 30 -2.892 1.331 1.012 1.00 0.43 C ATOM 517 O TYR A 30 -2.507 1.599 -0.127 1.00 0.60 O ATOM 518 CB TYR A 30 -1.924 -0.880 1.898 1.00 0.48 C ATOM 519 CG TYR A 30 -2.152 -2.192 2.632 1.00 0.49 C ATOM 520 CD1 TYR A 30 -2.542 -2.194 3.981 1.00 1.73 C ATOM 521 CD2 TYR A 30 -1.898 -3.423 1.996 1.00 1.79 C ATOM 522 CE1 TYR A 30 -2.650 -3.411 4.679 1.00 1.79 C ATOM 523 CE2 TYR A 30 -1.938 -4.626 2.723 1.00 1.76 C ATOM 524 CZ TYR A 30 -2.303 -4.626 4.077 1.00 0.63 C ATOM 525 OH TYR A 30 -2.309 -5.781 4.805 1.00 0.74 O ATOM 0 H TYR A 30 -2.971 -0.758 -0.531 1.00 0.38 H new ATOM 0 HA TYR A 30 -3.873 -0.077 2.246 1.00 0.39 H new ATOM 0 HB2 TYR A 30 -1.299 -1.084 1.029 1.00 0.48 H new ATOM 0 HB3 TYR A 30 -1.354 -0.221 2.553 1.00 0.48 H new ATOM 0 HD1 TYR A 30 -2.759 -1.262 4.482 1.00 1.73 H new ATOM 0 HD2 TYR A 30 -1.670 -3.443 0.940 1.00 1.79 H new ATOM 0 HE1 TYR A 30 -3.007 -3.408 5.698 1.00 1.79 H new ATOM 0 HE2 TYR A 30 -1.686 -5.556 2.235 1.00 1.76 H new ATOM 0 HH TYR A 30 -1.885 -5.622 5.674 1.00 0.74 H new ATOM 535 N ASP A 31 -3.093 2.260 1.945 1.00 0.36 N ATOM 536 CA ASP A 31 -2.901 3.695 1.825 1.00 0.34 C ATOM 537 C ASP A 31 -1.969 4.062 2.948 1.00 0.34 C ATOM 538 O ASP A 31 -2.318 3.907 4.114 1.00 0.55 O ATOM 539 CB ASP A 31 -4.208 4.469 2.027 1.00 0.41 C ATOM 540 CG ASP A 31 -3.992 5.992 2.086 1.00 0.46 C ATOM 541 OD1 ASP A 31 -3.229 6.476 2.948 1.00 1.97 O ATOM 542 OD2 ASP A 31 -4.550 6.689 1.216 1.00 1.49 O ATOM 0 H ASP A 31 -3.420 2.003 2.876 1.00 0.36 H new ATOM 0 HA ASP A 31 -2.523 3.942 0.833 1.00 0.34 H new ATOM 0 HB2 ASP A 31 -4.894 4.235 1.213 1.00 0.41 H new ATOM 0 HB3 ASP A 31 -4.683 4.137 2.950 1.00 0.41 H new ATOM 547 N LEU A 32 -0.774 4.517 2.602 1.00 0.27 N ATOM 548 CA LEU A 32 0.176 4.925 3.611 1.00 0.39 C ATOM 549 C LEU A 32 0.496 6.398 3.413 1.00 0.36 C ATOM 550 O LEU A 32 1.576 6.866 3.739 1.00 0.44 O ATOM 551 CB LEU A 32 1.405 4.016 3.628 1.00 0.64 C ATOM 552 CG LEU A 32 1.340 2.709 2.835 1.00 0.36 C ATOM 553 CD1 LEU A 32 2.722 2.087 2.939 1.00 0.42 C ATOM 554 CD2 LEU A 32 0.310 1.739 3.409 1.00 0.50 C ATOM 0 H LEU A 32 -0.447 4.610 1.640 1.00 0.27 H new ATOM 0 HA LEU A 32 -0.258 4.813 4.605 1.00 0.39 H new ATOM 0 HB2 LEU A 32 2.252 4.592 3.255 1.00 0.64 H new ATOM 0 HB3 LEU A 32 1.622 3.767 4.667 1.00 0.64 H new ATOM 0 HG LEU A 32 1.043 2.913 1.806 1.00 0.36 H new ATOM 0 HD11 LEU A 32 2.740 1.146 2.390 1.00 0.42 H new ATOM 0 HD12 LEU A 32 3.460 2.768 2.516 1.00 0.42 H new ATOM 0 HD13 LEU A 32 2.959 1.900 3.986 1.00 0.42 H new ATOM 0 HD21 LEU A 32 0.299 0.826 2.814 1.00 0.50 H new ATOM 0 HD22 LEU A 32 0.572 1.498 4.439 1.00 0.50 H new ATOM 0 HD23 LEU A 32 -0.677 2.200 3.384 1.00 0.50 H new ATOM 566 N THR A 33 -0.448 7.151 2.875 1.00 0.31 N ATOM 567 CA THR A 33 -0.320 8.548 2.552 1.00 0.28 C ATOM 568 C THR A 33 -0.097 9.362 3.816 1.00 0.25 C ATOM 569 O THR A 33 0.927 10.020 3.958 1.00 0.39 O ATOM 570 CB THR A 33 -1.626 8.927 1.859 1.00 0.44 C ATOM 571 OG1 THR A 33 -1.744 8.138 0.706 1.00 1.59 O ATOM 572 CG2 THR A 33 -1.647 10.380 1.441 1.00 1.25 C ATOM 0 H THR A 33 -1.369 6.778 2.643 1.00 0.31 H new ATOM 0 HA THR A 33 0.535 8.748 1.907 1.00 0.28 H new ATOM 0 HB THR A 33 -2.447 8.765 2.558 1.00 0.44 H new ATOM 0 HG1 THR A 33 -2.656 7.784 0.644 1.00 1.59 H new ATOM 0 HG21 THR A 33 -2.595 10.604 0.952 1.00 1.25 H new ATOM 0 HG22 THR A 33 -1.534 11.013 2.321 1.00 1.25 H new ATOM 0 HG23 THR A 33 -0.827 10.571 0.748 1.00 1.25 H new ATOM 580 N LYS A 34 -1.008 9.274 4.785 1.00 0.40 N ATOM 581 CA LYS A 34 -0.809 9.949 6.066 1.00 0.45 C ATOM 582 C LYS A 34 0.227 9.202 6.925 1.00 0.47 C ATOM 583 O LYS A 34 0.514 9.620 8.044 1.00 0.59 O ATOM 584 CB LYS A 34 -2.177 10.172 6.738 1.00 0.70 C ATOM 585 CG LYS A 34 -2.092 11.039 8.006 1.00 1.15 C ATOM 586 CD LYS A 34 -2.081 10.183 9.279 1.00 1.11 C ATOM 587 CE LYS A 34 -1.044 10.702 10.276 1.00 2.10 C ATOM 588 NZ LYS A 34 -0.665 9.639 11.224 1.00 3.05 N ATOM 0 H LYS A 34 -1.879 8.749 4.709 1.00 0.40 H new ATOM 0 HA LYS A 34 -0.376 10.939 5.921 1.00 0.45 H new ATOM 0 HB2 LYS A 34 -2.852 10.646 6.026 1.00 0.70 H new ATOM 0 HB3 LYS A 34 -2.611 9.206 6.994 1.00 0.70 H new ATOM 0 HG2 LYS A 34 -1.189 11.649 7.970 1.00 1.15 H new ATOM 0 HG3 LYS A 34 -2.939 11.724 8.036 1.00 1.15 H new ATOM 0 HD2 LYS A 34 -3.070 10.194 9.738 1.00 1.11 H new ATOM 0 HD3 LYS A 34 -1.859 9.147 9.024 1.00 1.11 H new ATOM 0 HE2 LYS A 34 -0.161 11.054 9.742 1.00 2.10 H new ATOM 0 HE3 LYS A 34 -1.449 11.556 10.820 1.00 2.10 H new ATOM 0 HZ1 LYS A 34 -0.213 10.063 12.059 1.00 3.05 H new ATOM 0 HZ2 LYS A 34 -1.515 9.117 11.518 1.00 3.05 H new ATOM 0 HZ3 LYS A 34 0.001 8.985 10.765 1.00 3.05 H new ATOM 602 N PHE A 35 0.808 8.115 6.408 1.00 0.41 N ATOM 603 CA PHE A 35 1.867 7.341 7.038 1.00 0.45 C ATOM 604 C PHE A 35 3.216 7.564 6.362 1.00 0.42 C ATOM 605 O PHE A 35 4.240 7.062 6.814 1.00 0.47 O ATOM 606 CB PHE A 35 1.506 5.868 6.932 1.00 0.49 C ATOM 607 CG PHE A 35 2.555 4.888 7.431 1.00 0.40 C ATOM 608 CD1 PHE A 35 2.724 4.656 8.805 1.00 2.06 C ATOM 609 CD2 PHE A 35 3.411 4.242 6.516 1.00 2.08 C ATOM 610 CE1 PHE A 35 3.704 3.756 9.258 1.00 1.93 C ATOM 611 CE2 PHE A 35 4.360 3.310 6.960 1.00 2.23 C ATOM 612 CZ PHE A 35 4.513 3.075 8.335 1.00 0.50 C ATOM 0 H PHE A 35 0.537 7.739 5.499 1.00 0.41 H new ATOM 0 HA PHE A 35 1.956 7.660 8.076 1.00 0.45 H new ATOM 0 HB2 PHE A 35 0.585 5.699 7.490 1.00 0.49 H new ATOM 0 HB3 PHE A 35 1.293 5.641 5.888 1.00 0.49 H new ATOM 0 HD1 PHE A 35 2.098 5.172 9.518 1.00 2.06 H new ATOM 0 HD2 PHE A 35 3.335 4.467 5.462 1.00 2.08 H new ATOM 0 HE1 PHE A 35 3.835 3.588 10.317 1.00 1.93 H new ATOM 0 HE2 PHE A 35 4.970 2.776 6.247 1.00 2.23 H new ATOM 0 HZ PHE A 35 5.253 2.370 8.683 1.00 0.50 H new ATOM 622 N LEU A 36 3.241 8.306 5.265 1.00 0.39 N ATOM 623 CA LEU A 36 4.487 8.649 4.598 1.00 0.46 C ATOM 624 C LEU A 36 5.480 9.279 5.576 1.00 0.56 C ATOM 625 O LEU A 36 6.671 8.999 5.507 1.00 0.51 O ATOM 626 CB LEU A 36 4.181 9.602 3.433 1.00 0.44 C ATOM 627 CG LEU A 36 3.847 8.917 2.103 1.00 0.51 C ATOM 628 CD1 LEU A 36 3.760 9.984 1.007 1.00 1.01 C ATOM 629 CD2 LEU A 36 4.893 7.867 1.758 1.00 0.81 C ATOM 0 H LEU A 36 2.407 8.684 4.816 1.00 0.39 H new ATOM 0 HA LEU A 36 4.950 7.741 4.211 1.00 0.46 H new ATOM 0 HB2 LEU A 36 3.343 10.239 3.716 1.00 0.44 H new ATOM 0 HB3 LEU A 36 5.041 10.254 3.282 1.00 0.44 H new ATOM 0 HG LEU A 36 2.888 8.405 2.187 1.00 0.51 H new ATOM 0 HD11 LEU A 36 3.523 9.509 0.055 1.00 1.01 H new ATOM 0 HD12 LEU A 36 2.979 10.702 1.259 1.00 1.01 H new ATOM 0 HD13 LEU A 36 4.716 10.501 0.926 1.00 1.01 H new ATOM 0 HD21 LEU A 36 4.635 7.394 0.810 1.00 0.81 H new ATOM 0 HD22 LEU A 36 5.871 8.342 1.673 1.00 0.81 H new ATOM 0 HD23 LEU A 36 4.924 7.112 2.544 1.00 0.81 H new ATOM 641 N GLU A 37 4.987 10.086 6.516 1.00 1.00 N ATOM 642 CA GLU A 37 5.812 10.710 7.551 1.00 1.18 C ATOM 643 C GLU A 37 5.783 9.935 8.885 1.00 1.19 C ATOM 644 O GLU A 37 6.162 10.466 9.923 1.00 1.45 O ATOM 645 CB GLU A 37 5.401 12.182 7.724 1.00 1.38 C ATOM 646 CG GLU A 37 5.846 13.026 6.520 1.00 1.41 C ATOM 647 CD GLU A 37 5.972 14.512 6.876 1.00 2.07 C ATOM 648 OE1 GLU A 37 6.797 14.822 7.764 1.00 3.14 O ATOM 649 OE2 GLU A 37 5.254 15.321 6.247 1.00 2.56 O ATOM 0 H GLU A 37 3.998 10.327 6.581 1.00 1.00 H new ATOM 0 HA GLU A 37 6.850 10.675 7.221 1.00 1.18 H new ATOM 0 HB2 GLU A 37 4.319 12.250 7.839 1.00 1.38 H new ATOM 0 HB3 GLU A 37 5.844 12.582 8.636 1.00 1.38 H new ATOM 0 HG2 GLU A 37 6.805 12.658 6.154 1.00 1.41 H new ATOM 0 HG3 GLU A 37 5.128 12.907 5.709 1.00 1.41 H new ATOM 656 N GLU A 38 5.340 8.677 8.879 1.00 1.04 N ATOM 657 CA GLU A 38 5.306 7.793 10.047 1.00 1.10 C ATOM 658 C GLU A 38 6.232 6.582 9.926 1.00 0.92 C ATOM 659 O GLU A 38 6.562 5.967 10.940 1.00 1.02 O ATOM 660 CB GLU A 38 3.897 7.243 10.255 1.00 1.42 C ATOM 661 CG GLU A 38 2.932 8.178 10.982 1.00 1.54 C ATOM 662 CD GLU A 38 1.946 7.374 11.837 1.00 1.86 C ATOM 663 OE1 GLU A 38 2.403 6.678 12.767 1.00 2.51 O ATOM 664 OE2 GLU A 38 0.730 7.492 11.565 1.00 2.63 O ATOM 0 H GLU A 38 4.983 8.230 8.034 1.00 1.04 H new ATOM 0 HA GLU A 38 5.637 8.412 10.881 1.00 1.10 H new ATOM 0 HB2 GLU A 38 3.474 6.996 9.281 1.00 1.42 H new ATOM 0 HB3 GLU A 38 3.968 6.312 10.817 1.00 1.42 H new ATOM 0 HG2 GLU A 38 3.492 8.868 11.614 1.00 1.54 H new ATOM 0 HG3 GLU A 38 2.386 8.781 10.257 1.00 1.54 H new ATOM 671 N HIS A 39 6.653 6.221 8.713 1.00 0.80 N ATOM 672 CA HIS A 39 7.612 5.141 8.497 1.00 0.71 C ATOM 673 C HIS A 39 8.922 5.534 9.215 1.00 0.75 C ATOM 674 O HIS A 39 9.140 6.716 9.481 1.00 1.44 O ATOM 675 CB HIS A 39 7.809 4.993 6.983 1.00 0.78 C ATOM 676 CG HIS A 39 8.091 3.645 6.338 1.00 0.42 C ATOM 677 ND1 HIS A 39 8.665 3.529 5.100 1.00 0.49 N ATOM 678 CD2 HIS A 39 7.836 2.369 6.779 1.00 0.43 C ATOM 679 CE1 HIS A 39 8.840 2.244 4.813 1.00 0.56 C ATOM 680 NE2 HIS A 39 8.340 1.494 5.795 1.00 0.34 N ATOM 0 H HIS A 39 6.338 6.670 7.853 1.00 0.80 H new ATOM 0 HA HIS A 39 7.271 4.185 8.896 1.00 0.71 H new ATOM 0 HB2 HIS A 39 6.910 5.387 6.508 1.00 0.78 H new ATOM 0 HB3 HIS A 39 8.631 5.653 6.706 1.00 0.78 H new ATOM 0 HD1 HIS A 39 8.919 4.308 4.493 1.00 0.49 H new ATOM 0 HD2 HIS A 39 7.345 2.091 7.700 1.00 0.43 H new ATOM 0 HE1 HIS A 39 9.315 1.865 3.920 1.00 0.56 H new ATOM 688 N PRO A 40 9.819 4.592 9.532 1.00 0.76 N ATOM 689 CA PRO A 40 10.976 4.889 10.363 1.00 0.78 C ATOM 690 C PRO A 40 12.034 5.661 9.588 1.00 1.81 C ATOM 691 O PRO A 40 12.773 6.460 10.154 1.00 3.73 O ATOM 692 CB PRO A 40 11.524 3.536 10.805 1.00 1.24 C ATOM 693 CG PRO A 40 10.983 2.544 9.780 1.00 2.16 C ATOM 694 CD PRO A 40 9.804 3.218 9.094 1.00 1.77 C ATOM 0 HA PRO A 40 10.698 5.515 11.211 1.00 0.78 H new ATOM 0 HB2 PRO A 40 12.614 3.536 10.819 1.00 1.24 H new ATOM 0 HB3 PRO A 40 11.192 3.285 11.812 1.00 1.24 H new ATOM 0 HG2 PRO A 40 11.752 2.280 9.055 1.00 2.16 H new ATOM 0 HG3 PRO A 40 10.671 1.619 10.265 1.00 2.16 H new ATOM 0 HD2 PRO A 40 9.895 3.154 8.010 1.00 1.77 H new ATOM 0 HD3 PRO A 40 8.866 2.733 9.365 1.00 1.77 H new ATOM 702 N GLY A 41 12.102 5.415 8.283 1.00 0.79 N ATOM 703 CA GLY A 41 13.049 6.089 7.424 1.00 1.70 C ATOM 704 C GLY A 41 12.737 5.897 5.948 1.00 0.72 C ATOM 705 O GLY A 41 13.603 6.196 5.130 1.00 0.82 O ATOM 0 H GLY A 41 11.503 4.745 7.801 1.00 0.79 H new ATOM 0 HA2 GLY A 41 13.051 7.154 7.656 1.00 1.70 H new ATOM 0 HA3 GLY A 41 14.052 5.716 7.631 1.00 1.70 H new ATOM 709 N GLY A 42 11.547 5.405 5.571 1.00 0.65 N ATOM 710 CA GLY A 42 11.197 5.395 4.164 1.00 0.98 C ATOM 711 C GLY A 42 9.996 6.293 3.942 1.00 0.63 C ATOM 712 O GLY A 42 8.999 6.206 4.635 1.00 1.21 O ATOM 0 H GLY A 42 10.842 5.025 6.202 1.00 0.65 H new ATOM 0 HA2 GLY A 42 12.040 5.740 3.565 1.00 0.98 H new ATOM 0 HA3 GLY A 42 10.971 4.379 3.841 1.00 0.98 H new ATOM 716 N GLU A 43 10.032 7.109 2.917 1.00 0.58 N ATOM 717 CA GLU A 43 8.833 7.780 2.447 1.00 0.44 C ATOM 718 C GLU A 43 8.725 7.535 0.941 1.00 0.42 C ATOM 719 O GLU A 43 7.733 7.029 0.420 1.00 0.46 O ATOM 720 CB GLU A 43 8.909 9.240 2.908 1.00 0.70 C ATOM 721 CG GLU A 43 9.942 10.140 2.213 1.00 1.19 C ATOM 722 CD GLU A 43 9.490 10.653 0.841 1.00 2.11 C ATOM 723 OE1 GLU A 43 8.291 10.503 0.518 1.00 3.12 O ATOM 724 OE2 GLU A 43 10.372 11.167 0.126 1.00 3.18 O ATOM 0 H GLU A 43 10.876 7.328 2.388 1.00 0.58 H new ATOM 0 HA GLU A 43 7.901 7.398 2.864 1.00 0.44 H new ATOM 0 HB2 GLU A 43 7.925 9.689 2.774 1.00 0.70 H new ATOM 0 HB3 GLU A 43 9.120 9.247 3.977 1.00 0.70 H new ATOM 0 HG2 GLU A 43 10.159 10.993 2.856 1.00 1.19 H new ATOM 0 HG3 GLU A 43 10.873 9.585 2.095 1.00 1.19 H new ATOM 731 N GLU A 44 9.857 7.751 0.284 1.00 0.49 N ATOM 732 CA GLU A 44 10.022 7.689 -1.167 1.00 0.55 C ATOM 733 C GLU A 44 9.840 6.254 -1.617 1.00 0.52 C ATOM 734 O GLU A 44 9.232 6.015 -2.647 1.00 0.52 O ATOM 735 CB GLU A 44 11.410 8.175 -1.609 1.00 0.72 C ATOM 736 CG GLU A 44 11.616 8.169 -3.143 1.00 1.18 C ATOM 737 CD GLU A 44 11.344 9.521 -3.808 1.00 2.31 C ATOM 738 OE1 GLU A 44 12.227 10.399 -3.692 1.00 2.92 O ATOM 739 OE2 GLU A 44 10.284 9.644 -4.464 1.00 3.63 O ATOM 0 H GLU A 44 10.725 7.985 0.767 1.00 0.49 H new ATOM 0 HA GLU A 44 9.277 8.343 -1.620 1.00 0.55 H new ATOM 0 HB2 GLU A 44 11.566 9.187 -1.235 1.00 0.72 H new ATOM 0 HB3 GLU A 44 12.169 7.544 -1.148 1.00 0.72 H new ATOM 0 HG2 GLU A 44 12.640 7.867 -3.362 1.00 1.18 H new ATOM 0 HG3 GLU A 44 10.961 7.419 -3.585 1.00 1.18 H new ATOM 746 N VAL A 45 10.305 5.280 -0.834 1.00 0.53 N ATOM 747 CA VAL A 45 10.057 3.883 -1.143 1.00 0.53 C ATOM 748 C VAL A 45 8.560 3.644 -1.311 1.00 0.44 C ATOM 749 O VAL A 45 8.149 2.946 -2.240 1.00 0.45 O ATOM 750 CB VAL A 45 10.661 2.975 -0.064 1.00 0.60 C ATOM 751 CG1 VAL A 45 12.118 2.657 -0.403 1.00 1.05 C ATOM 752 CG2 VAL A 45 10.595 3.566 1.350 1.00 1.00 C ATOM 0 H VAL A 45 10.852 5.437 0.013 1.00 0.53 H new ATOM 0 HA VAL A 45 10.545 3.633 -2.085 1.00 0.53 H new ATOM 0 HB VAL A 45 10.054 2.070 -0.060 1.00 0.60 H new ATOM 0 HG11 VAL A 45 12.539 2.012 0.368 1.00 1.05 H new ATOM 0 HG12 VAL A 45 12.165 2.149 -1.366 1.00 1.05 H new ATOM 0 HG13 VAL A 45 12.690 3.583 -0.453 1.00 1.05 H new ATOM 0 HG21 VAL A 45 11.041 2.867 2.058 1.00 1.00 H new ATOM 0 HG22 VAL A 45 11.143 4.508 1.377 1.00 1.00 H new ATOM 0 HG23 VAL A 45 9.554 3.743 1.622 1.00 1.00 H new ATOM 762 N LEU A 46 7.719 4.267 -0.476 1.00 0.46 N ATOM 763 CA LEU A 46 6.294 4.027 -0.611 1.00 0.38 C ATOM 764 C LEU A 46 5.767 4.700 -1.888 1.00 0.36 C ATOM 765 O LEU A 46 4.753 4.273 -2.437 1.00 0.40 O ATOM 766 CB LEU A 46 5.557 4.507 0.646 1.00 0.42 C ATOM 767 CG LEU A 46 6.262 4.191 1.983 1.00 0.42 C ATOM 768 CD1 LEU A 46 5.313 4.369 3.176 1.00 0.53 C ATOM 769 CD2 LEU A 46 6.853 2.782 2.011 1.00 0.47 C ATOM 0 H LEU A 46 7.992 4.912 0.266 1.00 0.46 H new ATOM 0 HA LEU A 46 6.109 2.957 -0.706 1.00 0.38 H new ATOM 0 HB2 LEU A 46 5.415 5.585 0.575 1.00 0.42 H new ATOM 0 HB3 LEU A 46 4.565 4.055 0.661 1.00 0.42 H new ATOM 0 HG LEU A 46 7.080 4.906 2.066 1.00 0.42 H new ATOM 0 HD11 LEU A 46 5.843 4.138 4.100 1.00 0.53 H new ATOM 0 HD12 LEU A 46 4.959 5.399 3.209 1.00 0.53 H new ATOM 0 HD13 LEU A 46 4.462 3.696 3.068 1.00 0.53 H new ATOM 0 HD21 LEU A 46 7.337 2.610 2.972 1.00 0.47 H new ATOM 0 HD22 LEU A 46 6.057 2.051 1.869 1.00 0.47 H new ATOM 0 HD23 LEU A 46 7.587 2.679 1.211 1.00 0.47 H new ATOM 781 N ARG A 47 6.469 5.719 -2.401 1.00 0.42 N ATOM 782 CA ARG A 47 6.170 6.347 -3.684 1.00 0.51 C ATOM 783 C ARG A 47 6.767 5.605 -4.880 1.00 0.53 C ATOM 784 O ARG A 47 6.203 5.705 -5.965 1.00 0.61 O ATOM 785 CB ARG A 47 6.686 7.795 -3.696 1.00 0.63 C ATOM 786 CG ARG A 47 5.570 8.833 -3.528 1.00 1.30 C ATOM 787 CD ARG A 47 5.735 9.944 -4.569 1.00 1.13 C ATOM 788 NE ARG A 47 5.221 9.529 -5.886 1.00 2.12 N ATOM 789 CZ ARG A 47 5.011 10.362 -6.913 1.00 3.03 C ATOM 790 NH1 ARG A 47 5.436 11.624 -6.832 1.00 3.40 N ATOM 791 NH2 ARG A 47 4.370 9.945 -8.005 1.00 4.39 N ATOM 0 H ARG A 47 7.271 6.132 -1.925 1.00 0.42 H new ATOM 0 HA ARG A 47 5.085 6.316 -3.788 1.00 0.51 H new ATOM 0 HB2 ARG A 47 7.415 7.921 -2.895 1.00 0.63 H new ATOM 0 HB3 ARG A 47 7.208 7.980 -4.635 1.00 0.63 H new ATOM 0 HG2 ARG A 47 4.597 8.356 -3.643 1.00 1.30 H new ATOM 0 HG3 ARG A 47 5.602 9.255 -2.524 1.00 1.30 H new ATOM 0 HD2 ARG A 47 5.207 10.838 -4.236 1.00 1.13 H new ATOM 0 HD3 ARG A 47 6.789 10.210 -4.655 1.00 1.13 H new ATOM 0 HE ARG A 47 5.011 8.541 -6.025 1.00 2.12 H new ATOM 0 HH11 ARG A 47 5.917 11.947 -5.992 1.00 3.40 H new ATOM 0 HH12 ARG A 47 5.280 12.265 -7.610 1.00 3.40 H new ATOM 0 HH21 ARG A 47 4.035 8.984 -8.064 1.00 4.39 H new ATOM 0 HH22 ARG A 47 4.215 10.587 -8.782 1.00 4.39 H new ATOM 805 N GLU A 48 7.857 4.858 -4.721 1.00 0.50 N ATOM 806 CA GLU A 48 8.497 4.124 -5.809 1.00 0.53 C ATOM 807 C GLU A 48 7.631 2.931 -6.197 1.00 0.50 C ATOM 808 O GLU A 48 7.733 2.422 -7.308 1.00 0.58 O ATOM 809 CB GLU A 48 9.898 3.663 -5.367 1.00 0.56 C ATOM 810 CG GLU A 48 11.004 4.628 -5.824 1.00 0.76 C ATOM 811 CD GLU A 48 11.904 3.987 -6.884 1.00 0.92 C ATOM 812 OE1 GLU A 48 11.456 3.918 -8.050 1.00 1.81 O ATOM 813 OE2 GLU A 48 13.023 3.566 -6.512 1.00 2.02 O ATOM 0 H GLU A 48 8.326 4.744 -3.822 1.00 0.50 H new ATOM 0 HA GLU A 48 8.605 4.772 -6.679 1.00 0.53 H new ATOM 0 HB2 GLU A 48 9.923 3.575 -4.281 1.00 0.56 H new ATOM 0 HB3 GLU A 48 10.095 2.670 -5.772 1.00 0.56 H new ATOM 0 HG2 GLU A 48 10.553 5.535 -6.228 1.00 0.76 H new ATOM 0 HG3 GLU A 48 11.606 4.926 -4.966 1.00 0.76 H new ATOM 820 N GLN A 49 6.734 2.522 -5.300 1.00 0.43 N ATOM 821 CA GLN A 49 5.806 1.429 -5.525 1.00 0.42 C ATOM 822 C GLN A 49 4.367 1.906 -5.408 1.00 0.44 C ATOM 823 O GLN A 49 3.438 1.106 -5.323 1.00 0.46 O ATOM 824 CB GLN A 49 6.088 0.344 -4.497 1.00 0.39 C ATOM 825 CG GLN A 49 7.553 -0.101 -4.495 1.00 0.47 C ATOM 826 CD GLN A 49 7.975 -0.785 -5.795 1.00 0.82 C ATOM 827 OE1 GLN A 49 7.251 -0.831 -6.780 1.00 1.60 O ATOM 828 NE2 GLN A 49 9.168 -1.352 -5.817 1.00 0.86 N ATOM 0 H GLN A 49 6.635 2.953 -4.381 1.00 0.43 H new ATOM 0 HA GLN A 49 5.941 1.037 -6.533 1.00 0.42 H new ATOM 0 HB2 GLN A 49 5.823 0.711 -3.505 1.00 0.39 H new ATOM 0 HB3 GLN A 49 5.451 -0.517 -4.699 1.00 0.39 H new ATOM 0 HG2 GLN A 49 8.190 0.767 -4.325 1.00 0.47 H new ATOM 0 HG3 GLN A 49 7.717 -0.785 -3.662 1.00 0.47 H new ATOM 0 HE21 GLN A 49 9.768 -1.311 -4.993 1.00 0.86 H new ATOM 0 HE22 GLN A 49 9.490 -1.831 -6.658 1.00 0.86 H new ATOM 837 N ALA A 50 4.177 3.219 -5.363 1.00 0.49 N ATOM 838 CA ALA A 50 2.856 3.802 -5.289 1.00 0.54 C ATOM 839 C ALA A 50 1.997 3.341 -6.463 1.00 0.52 C ATOM 840 O ALA A 50 2.436 3.333 -7.609 1.00 0.59 O ATOM 841 CB ALA A 50 2.945 5.323 -5.257 1.00 0.65 C ATOM 0 H ALA A 50 4.935 3.901 -5.377 1.00 0.49 H new ATOM 0 HA ALA A 50 2.384 3.464 -4.366 1.00 0.54 H new ATOM 0 HB1 ALA A 50 1.942 5.745 -5.201 1.00 0.65 H new ATOM 0 HB2 ALA A 50 3.519 5.636 -4.385 1.00 0.65 H new ATOM 0 HB3 ALA A 50 3.438 5.678 -6.162 1.00 0.65 H new ATOM 847 N GLY A 51 0.749 2.979 -6.171 1.00 0.48 N ATOM 848 CA GLY A 51 -0.181 2.421 -7.139 1.00 0.50 C ATOM 849 C GLY A 51 0.347 1.143 -7.794 1.00 0.51 C ATOM 850 O GLY A 51 -0.135 0.768 -8.860 1.00 0.50 O ATOM 0 H GLY A 51 0.353 3.069 -5.235 1.00 0.48 H new ATOM 0 HA2 GLY A 51 -1.129 2.207 -6.645 1.00 0.50 H new ATOM 0 HA3 GLY A 51 -0.385 3.163 -7.911 1.00 0.50 H new ATOM 854 N GLY A 52 1.337 0.482 -7.191 1.00 0.58 N ATOM 855 CA GLY A 52 2.041 -0.639 -7.780 1.00 0.58 C ATOM 856 C GLY A 52 2.303 -1.710 -6.732 1.00 0.57 C ATOM 857 O GLY A 52 1.918 -1.572 -5.571 1.00 0.58 O ATOM 0 H GLY A 52 1.673 0.723 -6.259 1.00 0.58 H new ATOM 0 HA2 GLY A 52 1.453 -1.057 -8.597 1.00 0.58 H new ATOM 0 HA3 GLY A 52 2.985 -0.300 -8.207 1.00 0.58 H new ATOM 861 N ASP A 53 2.921 -2.808 -7.162 1.00 0.59 N ATOM 862 CA ASP A 53 3.200 -3.937 -6.289 1.00 0.61 C ATOM 863 C ASP A 53 4.443 -3.642 -5.473 1.00 0.61 C ATOM 864 O ASP A 53 5.559 -3.701 -5.985 1.00 0.78 O ATOM 865 CB ASP A 53 3.369 -5.243 -7.076 1.00 0.70 C ATOM 866 CG ASP A 53 2.352 -6.252 -6.564 1.00 1.64 C ATOM 867 OD1 ASP A 53 2.595 -6.784 -5.455 1.00 3.00 O ATOM 868 OD2 ASP A 53 1.323 -6.427 -7.251 1.00 2.69 O ATOM 0 H ASP A 53 3.240 -2.936 -8.122 1.00 0.59 H new ATOM 0 HA ASP A 53 2.347 -4.075 -5.625 1.00 0.61 H new ATOM 0 HB2 ASP A 53 3.222 -5.065 -8.141 1.00 0.70 H new ATOM 0 HB3 ASP A 53 4.381 -5.630 -6.954 1.00 0.70 H new ATOM 873 N ALA A 54 4.258 -3.316 -4.199 1.00 0.54 N ATOM 874 CA ALA A 54 5.395 -3.062 -3.333 1.00 0.54 C ATOM 875 C ALA A 54 5.797 -4.325 -2.570 1.00 0.62 C ATOM 876 O ALA A 54 6.760 -4.299 -1.806 1.00 0.64 O ATOM 877 CB ALA A 54 5.052 -1.904 -2.401 1.00 0.48 C ATOM 0 H ALA A 54 3.346 -3.223 -3.752 1.00 0.54 H new ATOM 0 HA ALA A 54 6.262 -2.781 -3.930 1.00 0.54 H new ATOM 0 HB1 ALA A 54 5.898 -1.703 -1.744 1.00 0.48 H new ATOM 0 HB2 ALA A 54 4.831 -1.015 -2.992 1.00 0.48 H new ATOM 0 HB3 ALA A 54 4.181 -2.166 -1.800 1.00 0.48 H new ATOM 883 N THR A 55 5.058 -5.426 -2.748 1.00 0.69 N ATOM 884 CA THR A 55 5.207 -6.649 -1.987 1.00 0.73 C ATOM 885 C THR A 55 6.598 -7.238 -2.109 1.00 0.73 C ATOM 886 O THR A 55 7.119 -7.753 -1.125 1.00 0.71 O ATOM 887 CB THR A 55 4.162 -7.648 -2.492 1.00 0.82 C ATOM 888 OG1 THR A 55 2.908 -7.015 -2.641 1.00 1.25 O ATOM 889 CG2 THR A 55 4.024 -8.782 -1.489 1.00 0.91 C ATOM 0 H THR A 55 4.320 -5.481 -3.450 1.00 0.69 H new ATOM 0 HA THR A 55 5.057 -6.427 -0.930 1.00 0.73 H new ATOM 0 HB THR A 55 4.486 -8.035 -3.458 1.00 0.82 H new ATOM 0 HG1 THR A 55 2.722 -6.877 -3.593 1.00 1.25 H new ATOM 0 HG21 THR A 55 3.281 -9.495 -1.846 1.00 0.91 H new ATOM 0 HG22 THR A 55 4.984 -9.285 -1.375 1.00 0.91 H new ATOM 0 HG23 THR A 55 3.708 -8.380 -0.526 1.00 0.91 H new ATOM 897 N GLU A 56 7.204 -7.135 -3.293 1.00 0.77 N ATOM 898 CA GLU A 56 8.572 -7.579 -3.497 1.00 0.81 C ATOM 899 C GLU A 56 9.472 -6.911 -2.464 1.00 0.72 C ATOM 900 O GLU A 56 10.215 -7.595 -1.769 1.00 0.78 O ATOM 901 CB GLU A 56 9.019 -7.239 -4.927 1.00 0.94 C ATOM 902 CG GLU A 56 8.589 -8.315 -5.932 1.00 1.62 C ATOM 903 CD GLU A 56 9.276 -9.659 -5.676 1.00 2.72 C ATOM 904 OE1 GLU A 56 10.517 -9.652 -5.537 1.00 3.58 O ATOM 905 OE2 GLU A 56 8.547 -10.675 -5.625 1.00 3.69 O ATOM 0 H GLU A 56 6.761 -6.745 -4.125 1.00 0.77 H new ATOM 0 HA GLU A 56 8.640 -8.660 -3.371 1.00 0.81 H new ATOM 0 HB2 GLU A 56 8.596 -6.278 -5.221 1.00 0.94 H new ATOM 0 HB3 GLU A 56 10.103 -7.131 -4.952 1.00 0.94 H new ATOM 0 HG2 GLU A 56 7.508 -8.446 -5.880 1.00 1.62 H new ATOM 0 HG3 GLU A 56 8.820 -7.978 -6.942 1.00 1.62 H new ATOM 912 N ASN A 57 9.377 -5.589 -2.297 1.00 0.74 N ATOM 913 CA ASN A 57 10.216 -4.899 -1.340 1.00 0.70 C ATOM 914 C ASN A 57 9.827 -5.318 0.061 1.00 0.59 C ATOM 915 O ASN A 57 10.675 -5.741 0.824 1.00 0.58 O ATOM 916 CB ASN A 57 10.069 -3.386 -1.472 1.00 0.79 C ATOM 917 CG ASN A 57 10.349 -2.927 -2.884 1.00 0.93 C ATOM 918 OD1 ASN A 57 9.511 -3.104 -3.755 1.00 2.30 O ATOM 919 ND2 ASN A 57 11.507 -2.338 -3.150 1.00 1.46 N ATOM 0 H ASN A 57 8.732 -4.989 -2.811 1.00 0.74 H new ATOM 0 HA ASN A 57 11.254 -5.164 -1.538 1.00 0.70 H new ATOM 0 HB2 ASN A 57 9.060 -3.090 -1.185 1.00 0.79 H new ATOM 0 HB3 ASN A 57 10.754 -2.891 -0.784 1.00 0.79 H new ATOM 0 HD21 ASN A 57 11.713 -2.022 -4.098 1.00 1.46 H new ATOM 0 HD22 ASN A 57 12.192 -2.201 -2.407 1.00 1.46 H new ATOM 926 N PHE A 58 8.551 -5.186 0.408 1.00 0.58 N ATOM 927 CA PHE A 58 8.064 -5.550 1.744 1.00 0.51 C ATOM 928 C PHE A 58 8.584 -6.912 2.243 1.00 0.48 C ATOM 929 O PHE A 58 8.890 -7.043 3.429 1.00 0.42 O ATOM 930 CB PHE A 58 6.539 -5.497 1.733 1.00 0.63 C ATOM 931 CG PHE A 58 5.857 -5.550 3.087 1.00 0.68 C ATOM 932 CD1 PHE A 58 5.800 -4.393 3.885 1.00 2.25 C ATOM 933 CD2 PHE A 58 5.204 -6.721 3.512 1.00 1.91 C ATOM 934 CE1 PHE A 58 5.100 -4.406 5.103 1.00 2.44 C ATOM 935 CE2 PHE A 58 4.485 -6.729 4.720 1.00 1.96 C ATOM 936 CZ PHE A 58 4.433 -5.571 5.516 1.00 1.25 C ATOM 0 H PHE A 58 7.829 -4.828 -0.217 1.00 0.58 H new ATOM 0 HA PHE A 58 8.461 -4.828 2.457 1.00 0.51 H new ATOM 0 HB2 PHE A 58 6.232 -4.580 1.230 1.00 0.63 H new ATOM 0 HB3 PHE A 58 6.172 -6.329 1.132 1.00 0.63 H new ATOM 0 HD1 PHE A 58 6.297 -3.491 3.560 1.00 2.25 H new ATOM 0 HD2 PHE A 58 5.255 -7.616 2.909 1.00 1.91 H new ATOM 0 HE1 PHE A 58 5.075 -3.521 5.721 1.00 2.44 H new ATOM 0 HE2 PHE A 58 3.972 -7.625 5.037 1.00 1.96 H new ATOM 0 HZ PHE A 58 3.881 -5.577 6.444 1.00 1.25 H new ATOM 946 N GLU A 59 8.724 -7.906 1.363 1.00 0.64 N ATOM 947 CA GLU A 59 9.280 -9.209 1.714 1.00 0.74 C ATOM 948 C GLU A 59 10.809 -9.182 1.743 1.00 0.77 C ATOM 949 O GLU A 59 11.397 -9.710 2.682 1.00 0.84 O ATOM 950 CB GLU A 59 8.784 -10.260 0.709 1.00 0.95 C ATOM 951 CG GLU A 59 7.544 -10.987 1.245 1.00 1.13 C ATOM 952 CD GLU A 59 7.913 -12.047 2.288 1.00 1.36 C ATOM 953 OE1 GLU A 59 8.216 -13.185 1.867 1.00 2.13 O ATOM 954 OE2 GLU A 59 7.862 -11.711 3.494 1.00 2.38 O ATOM 0 H GLU A 59 8.453 -7.826 0.383 1.00 0.64 H new ATOM 0 HA GLU A 59 8.941 -9.468 2.717 1.00 0.74 H new ATOM 0 HB2 GLU A 59 8.547 -9.778 -0.240 1.00 0.95 H new ATOM 0 HB3 GLU A 59 9.576 -10.982 0.511 1.00 0.95 H new ATOM 0 HG2 GLU A 59 6.861 -10.262 1.689 1.00 1.13 H new ATOM 0 HG3 GLU A 59 7.014 -11.460 0.418 1.00 1.13 H new ATOM 961 N ASP A 60 11.458 -8.565 0.751 1.00 0.81 N ATOM 962 CA ASP A 60 12.921 -8.507 0.644 1.00 0.92 C ATOM 963 C ASP A 60 13.509 -7.871 1.908 1.00 0.87 C ATOM 964 O ASP A 60 14.490 -8.343 2.476 1.00 1.04 O ATOM 965 CB ASP A 60 13.299 -7.706 -0.616 1.00 0.94 C ATOM 966 CG ASP A 60 14.732 -7.950 -1.097 1.00 1.68 C ATOM 967 OD1 ASP A 60 15.666 -7.723 -0.301 1.00 3.10 O ATOM 968 OD2 ASP A 60 14.882 -8.323 -2.282 1.00 1.82 O ATOM 0 H ASP A 60 10.977 -8.086 -0.010 1.00 0.81 H new ATOM 0 HA ASP A 60 13.333 -9.512 0.555 1.00 0.92 H new ATOM 0 HB2 ASP A 60 12.608 -7.962 -1.419 1.00 0.94 H new ATOM 0 HB3 ASP A 60 13.170 -6.643 -0.412 1.00 0.94 H new ATOM 973 N VAL A 61 12.836 -6.827 2.401 1.00 0.69 N ATOM 974 CA VAL A 61 13.172 -6.133 3.630 1.00 0.77 C ATOM 975 C VAL A 61 13.087 -7.068 4.825 1.00 0.74 C ATOM 976 O VAL A 61 13.936 -6.988 5.710 1.00 1.01 O ATOM 977 CB VAL A 61 12.292 -4.875 3.799 1.00 0.85 C ATOM 978 CG1 VAL A 61 12.568 -4.170 5.133 1.00 1.79 C ATOM 979 CG2 VAL A 61 12.527 -3.856 2.671 1.00 1.88 C ATOM 0 H VAL A 61 12.018 -6.436 1.935 1.00 0.69 H new ATOM 0 HA VAL A 61 14.207 -5.796 3.571 1.00 0.77 H new ATOM 0 HB VAL A 61 11.261 -5.227 3.768 1.00 0.85 H new ATOM 0 HG11 VAL A 61 11.931 -3.289 5.218 1.00 1.79 H new ATOM 0 HG12 VAL A 61 12.355 -4.852 5.956 1.00 1.79 H new ATOM 0 HG13 VAL A 61 13.614 -3.867 5.175 1.00 1.79 H new ATOM 0 HG21 VAL A 61 11.889 -2.986 2.828 1.00 1.88 H new ATOM 0 HG22 VAL A 61 13.572 -3.545 2.674 1.00 1.88 H new ATOM 0 HG23 VAL A 61 12.287 -4.314 1.711 1.00 1.88 H new ATOM 989 N GLY A 62 12.096 -7.960 4.879 1.00 0.69 N ATOM 990 CA GLY A 62 12.030 -8.880 5.998 1.00 1.01 C ATOM 991 C GLY A 62 11.348 -8.187 7.169 1.00 1.09 C ATOM 992 O GLY A 62 11.699 -8.444 8.318 1.00 2.01 O ATOM 0 H GLY A 62 11.356 -8.059 4.184 1.00 0.69 H new ATOM 0 HA2 GLY A 62 11.477 -9.776 5.717 1.00 1.01 H new ATOM 0 HA3 GLY A 62 13.032 -9.200 6.282 1.00 1.01 H new ATOM 996 N HIS A 63 10.396 -7.293 6.855 1.00 0.50 N ATOM 997 CA HIS A 63 9.688 -6.434 7.795 1.00 0.41 C ATOM 998 C HIS A 63 9.240 -7.185 9.046 1.00 0.53 C ATOM 999 O HIS A 63 8.821 -8.341 8.982 1.00 1.20 O ATOM 1000 CB HIS A 63 8.448 -5.836 7.115 1.00 0.46 C ATOM 1001 CG HIS A 63 8.673 -4.563 6.346 1.00 0.43 C ATOM 1002 ND1 HIS A 63 8.990 -4.479 5.016 1.00 0.46 N ATOM 1003 CD2 HIS A 63 8.445 -3.297 6.811 1.00 0.38 C ATOM 1004 CE1 HIS A 63 8.969 -3.181 4.674 1.00 0.42 C ATOM 1005 NE2 HIS A 63 8.623 -2.424 5.732 1.00 0.37 N ATOM 0 H HIS A 63 10.091 -7.149 5.892 1.00 0.50 H new ATOM 0 HA HIS A 63 10.383 -5.651 8.098 1.00 0.41 H new ATOM 0 HB2 HIS A 63 8.035 -6.581 6.435 1.00 0.46 H new ATOM 0 HB3 HIS A 63 7.693 -5.648 7.879 1.00 0.46 H new ATOM 0 HD1 HIS A 63 9.203 -5.261 4.397 1.00 0.46 H new ATOM 0 HD2 HIS A 63 8.178 -3.023 7.821 1.00 0.38 H new ATOM 0 HE1 HIS A 63 9.197 -2.799 3.690 1.00 0.42 H new ATOM 1013 N SER A 64 9.261 -6.477 10.176 1.00 0.47 N ATOM 1014 CA SER A 64 8.803 -6.976 11.456 1.00 0.52 C ATOM 1015 C SER A 64 7.283 -7.160 11.486 1.00 0.48 C ATOM 1016 O SER A 64 6.533 -6.625 10.668 1.00 0.46 O ATOM 1017 CB SER A 64 9.240 -5.983 12.535 1.00 0.67 C ATOM 1018 OG SER A 64 10.649 -5.899 12.541 1.00 1.80 O ATOM 0 H SER A 64 9.607 -5.518 10.219 1.00 0.47 H new ATOM 0 HA SER A 64 9.242 -7.958 11.635 1.00 0.52 H new ATOM 0 HB2 SER A 64 8.806 -5.002 12.342 1.00 0.67 H new ATOM 0 HB3 SER A 64 8.878 -6.305 13.511 1.00 0.67 H new ATOM 0 HG SER A 64 10.936 -5.263 13.229 1.00 1.80 H new ATOM 1024 N THR A 65 6.795 -7.899 12.478 1.00 0.61 N ATOM 1025 CA THR A 65 5.382 -8.163 12.632 1.00 0.71 C ATOM 1026 C THR A 65 4.608 -6.892 12.986 1.00 0.68 C ATOM 1027 O THR A 65 3.489 -6.718 12.512 1.00 0.71 O ATOM 1028 CB THR A 65 5.260 -9.233 13.713 1.00 0.90 C ATOM 1029 OG1 THR A 65 6.116 -10.302 13.354 1.00 1.02 O ATOM 1030 CG2 THR A 65 3.838 -9.750 13.899 1.00 1.12 C ATOM 0 H THR A 65 7.377 -8.330 13.196 1.00 0.61 H new ATOM 0 HA THR A 65 4.943 -8.513 11.698 1.00 0.71 H new ATOM 0 HB THR A 65 5.542 -8.787 14.667 1.00 0.90 H new ATOM 0 HG1 THR A 65 6.061 -11.007 14.032 1.00 1.02 H new ATOM 0 HG21 THR A 65 3.826 -10.508 14.683 1.00 1.12 H new ATOM 0 HG22 THR A 65 3.185 -8.925 14.182 1.00 1.12 H new ATOM 0 HG23 THR A 65 3.485 -10.188 12.965 1.00 1.12 H new ATOM 1038 N ASP A 66 5.211 -5.965 13.735 1.00 0.69 N ATOM 1039 CA ASP A 66 4.557 -4.693 14.047 1.00 0.78 C ATOM 1040 C ASP A 66 4.258 -3.941 12.750 1.00 0.68 C ATOM 1041 O ASP A 66 3.225 -3.287 12.605 1.00 0.77 O ATOM 1042 CB ASP A 66 5.458 -3.839 14.950 1.00 0.92 C ATOM 1043 CG ASP A 66 5.624 -4.428 16.351 1.00 1.54 C ATOM 1044 OD1 ASP A 66 4.643 -5.017 16.851 1.00 2.46 O ATOM 1045 OD2 ASP A 66 6.751 -4.315 16.879 1.00 2.44 O ATOM 0 H ASP A 66 6.144 -6.070 14.134 1.00 0.69 H new ATOM 0 HA ASP A 66 3.624 -4.893 14.574 1.00 0.78 H new ATOM 0 HB2 ASP A 66 6.439 -3.738 14.485 1.00 0.92 H new ATOM 0 HB3 ASP A 66 5.038 -2.836 15.030 1.00 0.92 H new ATOM 1050 N ALA A 67 5.131 -4.081 11.750 1.00 0.56 N ATOM 1051 CA ALA A 67 4.864 -3.540 10.431 1.00 0.55 C ATOM 1052 C ALA A 67 3.765 -4.333 9.736 1.00 0.58 C ATOM 1053 O ALA A 67 2.937 -3.741 9.044 1.00 0.77 O ATOM 1054 CB ALA A 67 6.135 -3.551 9.590 1.00 0.59 C ATOM 0 H ALA A 67 6.025 -4.565 11.836 1.00 0.56 H new ATOM 0 HA ALA A 67 4.525 -2.510 10.544 1.00 0.55 H new ATOM 0 HB1 ALA A 67 5.921 -3.143 8.602 1.00 0.59 H new ATOM 0 HB2 ALA A 67 6.898 -2.944 10.076 1.00 0.59 H new ATOM 0 HB3 ALA A 67 6.496 -4.575 9.489 1.00 0.59 H new ATOM 1060 N ARG A 68 3.700 -5.659 9.925 1.00 0.51 N ATOM 1061 CA ARG A 68 2.559 -6.366 9.364 1.00 0.57 C ATOM 1062 C ARG A 68 1.236 -5.759 9.939 1.00 0.63 C ATOM 1063 O ARG A 68 0.183 -5.949 9.340 1.00 0.75 O ATOM 1064 CB ARG A 68 2.532 -7.873 9.643 1.00 0.67 C ATOM 1065 CG ARG A 68 2.492 -8.620 8.298 1.00 1.22 C ATOM 1066 CD ARG A 68 3.917 -9.005 7.904 1.00 1.99 C ATOM 1067 NE ARG A 68 4.244 -10.298 8.510 1.00 2.47 N ATOM 1068 CZ ARG A 68 5.321 -11.038 8.235 1.00 3.47 C ATOM 1069 NH1 ARG A 68 6.322 -10.530 7.518 1.00 4.37 N ATOM 1070 NH2 ARG A 68 5.375 -12.294 8.683 1.00 4.18 N ATOM 0 H ARG A 68 4.380 -6.227 10.430 1.00 0.51 H new ATOM 0 HA ARG A 68 2.650 -6.240 8.285 1.00 0.57 H new ATOM 0 HB2 ARG A 68 3.413 -8.168 10.214 1.00 0.67 H new ATOM 0 HB3 ARG A 68 1.661 -8.131 10.245 1.00 0.67 H new ATOM 0 HG2 ARG A 68 1.870 -9.511 8.380 1.00 1.22 H new ATOM 0 HG3 ARG A 68 2.046 -7.989 7.529 1.00 1.22 H new ATOM 0 HD2 ARG A 68 4.005 -9.064 6.819 1.00 1.99 H new ATOM 0 HD3 ARG A 68 4.620 -8.243 8.240 1.00 1.99 H new ATOM 0 HE ARG A 68 3.592 -10.665 9.203 1.00 2.47 H new ATOM 0 HH11 ARG A 68 6.269 -9.571 7.176 1.00 4.37 H new ATOM 0 HH12 ARG A 68 7.142 -11.100 7.311 1.00 4.37 H new ATOM 0 HH21 ARG A 68 4.601 -12.675 9.227 1.00 4.18 H new ATOM 0 HH22 ARG A 68 6.190 -12.873 8.482 1.00 4.18 H new ATOM 1084 N GLU A 69 1.255 -5.120 11.132 1.00 0.64 N ATOM 1085 CA GLU A 69 0.061 -4.614 11.835 1.00 0.76 C ATOM 1086 C GLU A 69 -0.347 -3.207 11.418 1.00 0.72 C ATOM 1087 O GLU A 69 -1.528 -2.964 11.190 1.00 0.75 O ATOM 1088 CB GLU A 69 0.236 -4.562 13.366 1.00 0.93 C ATOM 1089 CG GLU A 69 -0.126 -5.884 14.036 1.00 1.11 C ATOM 1090 CD GLU A 69 -0.543 -5.695 15.501 1.00 1.38 C ATOM 1091 OE1 GLU A 69 -0.046 -4.740 16.136 1.00 2.23 O ATOM 1092 OE2 GLU A 69 -1.385 -6.503 15.954 1.00 2.07 O ATOM 0 H GLU A 69 2.121 -4.940 11.640 1.00 0.64 H new ATOM 0 HA GLU A 69 -0.707 -5.334 11.551 1.00 0.76 H new ATOM 0 HB2 GLU A 69 1.269 -4.308 13.603 1.00 0.93 H new ATOM 0 HB3 GLU A 69 -0.389 -3.768 13.774 1.00 0.93 H new ATOM 0 HG2 GLU A 69 -0.940 -6.357 13.486 1.00 1.11 H new ATOM 0 HG3 GLU A 69 0.728 -6.560 13.987 1.00 1.11 H new ATOM 1099 N LEU A 70 0.585 -2.256 11.354 1.00 0.68 N ATOM 1100 CA LEU A 70 0.292 -0.893 10.950 1.00 0.71 C ATOM 1101 C LEU A 70 -0.440 -0.872 9.599 1.00 0.66 C ATOM 1102 O LEU A 70 -1.354 -0.072 9.409 1.00 0.70 O ATOM 1103 CB LEU A 70 1.634 -0.163 10.903 1.00 0.84 C ATOM 1104 CG LEU A 70 2.141 0.303 12.268 1.00 0.76 C ATOM 1105 CD1 LEU A 70 3.663 0.140 12.361 1.00 2.20 C ATOM 1106 CD2 LEU A 70 1.787 1.764 12.478 1.00 1.05 C ATOM 0 H LEU A 70 1.566 -2.416 11.583 1.00 0.68 H new ATOM 0 HA LEU A 70 -0.378 -0.396 11.651 1.00 0.71 H new ATOM 0 HB2 LEU A 70 2.378 -0.823 10.457 1.00 0.84 H new ATOM 0 HB3 LEU A 70 1.541 0.703 10.247 1.00 0.84 H new ATOM 0 HG LEU A 70 1.667 -0.308 13.037 1.00 0.76 H new ATOM 0 HD11 LEU A 70 4.006 0.477 13.339 1.00 2.20 H new ATOM 0 HD12 LEU A 70 3.925 -0.909 12.226 1.00 2.20 H new ATOM 0 HD13 LEU A 70 4.141 0.737 11.584 1.00 2.20 H new ATOM 0 HD21 LEU A 70 2.151 2.090 13.452 1.00 1.05 H new ATOM 0 HD22 LEU A 70 2.251 2.367 11.697 1.00 1.05 H new ATOM 0 HD23 LEU A 70 0.705 1.886 12.436 1.00 1.05 H new ATOM 1118 N SER A 71 -0.132 -1.811 8.699 1.00 0.68 N ATOM 1119 CA SER A 71 -0.892 -2.039 7.470 1.00 0.75 C ATOM 1120 C SER A 71 -2.376 -2.186 7.731 1.00 0.66 C ATOM 1121 O SER A 71 -3.189 -1.618 7.010 1.00 0.76 O ATOM 1122 CB SER A 71 -0.279 -3.237 6.744 1.00 0.84 C ATOM 1123 OG SER A 71 -0.914 -4.430 7.140 1.00 1.95 O ATOM 0 H SER A 71 0.663 -2.441 8.807 1.00 0.68 H new ATOM 0 HA SER A 71 -0.820 -1.166 6.822 1.00 0.75 H new ATOM 0 HB2 SER A 71 -0.377 -3.106 5.666 1.00 0.84 H new ATOM 0 HB3 SER A 71 0.787 -3.296 6.962 1.00 0.84 H new ATOM 0 HG SER A 71 -0.435 -4.818 7.902 1.00 1.95 H new ATOM 1129 N LYS A 72 -2.770 -2.911 8.761 1.00 0.61 N ATOM 1130 CA LYS A 72 -4.175 -3.111 9.051 1.00 0.64 C ATOM 1131 C LYS A 72 -4.900 -1.779 9.271 1.00 0.58 C ATOM 1132 O LYS A 72 -6.097 -1.695 9.023 1.00 0.70 O ATOM 1133 CB LYS A 72 -4.271 -4.020 10.276 1.00 0.73 C ATOM 1134 CG LYS A 72 -5.593 -4.789 10.311 1.00 0.89 C ATOM 1135 CD LYS A 72 -5.327 -6.287 10.146 1.00 2.10 C ATOM 1136 CE LYS A 72 -6.629 -7.041 10.414 1.00 2.26 C ATOM 1137 NZ LYS A 72 -6.501 -8.481 10.107 1.00 3.54 N ATOM 0 H LYS A 72 -2.134 -3.372 9.412 1.00 0.61 H new ATOM 0 HA LYS A 72 -4.670 -3.582 8.202 1.00 0.64 H new ATOM 0 HB2 LYS A 72 -3.440 -4.726 10.271 1.00 0.73 H new ATOM 0 HB3 LYS A 72 -4.175 -3.421 11.182 1.00 0.73 H new ATOM 0 HG2 LYS A 72 -6.107 -4.604 11.254 1.00 0.89 H new ATOM 0 HG3 LYS A 72 -6.250 -4.437 9.515 1.00 0.89 H new ATOM 0 HD2 LYS A 72 -4.966 -6.499 9.140 1.00 2.10 H new ATOM 0 HD3 LYS A 72 -4.551 -6.613 10.838 1.00 2.10 H new ATOM 0 HE2 LYS A 72 -6.913 -6.916 11.459 1.00 2.26 H new ATOM 0 HE3 LYS A 72 -7.429 -6.610 9.812 1.00 2.26 H new ATOM 0 HZ1 LYS A 72 -7.404 -8.959 10.301 1.00 3.54 H new ATOM 0 HZ2 LYS A 72 -6.254 -8.602 9.104 1.00 3.54 H new ATOM 0 HZ3 LYS A 72 -5.755 -8.897 10.700 1.00 3.54 H new ATOM 1151 N THR A 73 -4.183 -0.735 9.694 1.00 0.51 N ATOM 1152 CA THR A 73 -4.748 0.596 9.896 1.00 0.48 C ATOM 1153 C THR A 73 -4.722 1.423 8.599 1.00 0.50 C ATOM 1154 O THR A 73 -5.395 2.443 8.485 1.00 0.72 O ATOM 1155 CB THR A 73 -4.033 1.288 11.074 1.00 0.56 C ATOM 1156 OG1 THR A 73 -2.880 2.008 10.695 1.00 2.46 O ATOM 1157 CG2 THR A 73 -3.615 0.288 12.161 1.00 2.12 C ATOM 0 H THR A 73 -3.187 -0.793 9.907 1.00 0.51 H new ATOM 0 HA THR A 73 -5.802 0.505 10.160 1.00 0.48 H new ATOM 0 HB THR A 73 -4.775 1.988 11.459 1.00 0.56 H new ATOM 0 HG1 THR A 73 -2.256 1.408 10.235 1.00 2.46 H new ATOM 0 HG21 THR A 73 -3.115 0.819 12.971 1.00 2.12 H new ATOM 0 HG22 THR A 73 -4.499 -0.218 12.550 1.00 2.12 H new ATOM 0 HG23 THR A 73 -2.934 -0.449 11.735 1.00 2.12 H new ATOM 1165 N PHE A 74 -3.955 0.958 7.611 1.00 0.47 N ATOM 1166 CA PHE A 74 -3.738 1.553 6.301 1.00 0.48 C ATOM 1167 C PHE A 74 -4.573 0.875 5.220 1.00 0.43 C ATOM 1168 O PHE A 74 -4.689 1.405 4.122 1.00 0.47 O ATOM 1169 CB PHE A 74 -2.251 1.385 5.969 1.00 0.53 C ATOM 1170 CG PHE A 74 -1.286 1.959 6.970 1.00 0.49 C ATOM 1171 CD1 PHE A 74 -1.703 2.921 7.910 1.00 1.79 C ATOM 1172 CD2 PHE A 74 0.031 1.467 7.001 1.00 1.58 C ATOM 1173 CE1 PHE A 74 -0.841 3.310 8.938 1.00 1.85 C ATOM 1174 CE2 PHE A 74 0.914 1.921 7.979 1.00 1.62 C ATOM 1175 CZ PHE A 74 0.446 2.774 8.982 1.00 0.78 C ATOM 0 H PHE A 74 -3.432 0.089 7.719 1.00 0.47 H new ATOM 0 HA PHE A 74 -4.036 2.601 6.328 1.00 0.48 H new ATOM 0 HB2 PHE A 74 -2.041 0.321 5.859 1.00 0.53 H new ATOM 0 HB3 PHE A 74 -2.060 1.849 5.001 1.00 0.53 H new ATOM 0 HD1 PHE A 74 -2.688 3.358 7.836 1.00 1.79 H new ATOM 0 HD2 PHE A 74 0.357 0.741 6.271 1.00 1.58 H new ATOM 0 HE1 PHE A 74 -1.166 4.016 9.688 1.00 1.85 H new ATOM 0 HE2 PHE A 74 1.950 1.616 7.962 1.00 1.62 H new ATOM 0 HZ PHE A 74 1.095 3.024 9.809 1.00 0.78 H new ATOM 1185 N ILE A 75 -5.142 -0.304 5.466 1.00 0.45 N ATOM 1186 CA ILE A 75 -5.987 -0.958 4.485 1.00 0.41 C ATOM 1187 C ILE A 75 -7.151 -0.021 4.170 1.00 0.47 C ATOM 1188 O ILE A 75 -7.861 0.433 5.066 1.00 0.63 O ATOM 1189 CB ILE A 75 -6.388 -2.359 5.002 1.00 0.48 C ATOM 1190 CG1 ILE A 75 -5.875 -3.435 4.038 1.00 0.67 C ATOM 1191 CG2 ILE A 75 -7.896 -2.571 5.182 1.00 0.73 C ATOM 1192 CD1 ILE A 75 -5.644 -4.771 4.756 1.00 0.99 C ATOM 0 H ILE A 75 -5.029 -0.821 6.338 1.00 0.45 H new ATOM 0 HA ILE A 75 -5.472 -1.144 3.542 1.00 0.41 H new ATOM 0 HB ILE A 75 -5.933 -2.436 5.990 1.00 0.48 H new ATOM 0 HG12 ILE A 75 -6.594 -3.574 3.231 1.00 0.67 H new ATOM 0 HG13 ILE A 75 -4.944 -3.101 3.581 1.00 0.67 H new ATOM 0 HG21 ILE A 75 -8.080 -3.581 5.547 1.00 0.73 H new ATOM 0 HG22 ILE A 75 -8.282 -1.849 5.902 1.00 0.73 H new ATOM 0 HG23 ILE A 75 -8.399 -2.434 4.225 1.00 0.73 H new ATOM 0 HD11 ILE A 75 -5.281 -5.510 4.042 1.00 0.99 H new ATOM 0 HD12 ILE A 75 -4.905 -4.636 5.546 1.00 0.99 H new ATOM 0 HD13 ILE A 75 -6.582 -5.117 5.191 1.00 0.99 H new ATOM 1204 N ILE A 76 -7.339 0.270 2.886 1.00 0.47 N ATOM 1205 CA ILE A 76 -8.444 1.088 2.413 1.00 0.59 C ATOM 1206 C ILE A 76 -9.380 0.255 1.554 1.00 0.60 C ATOM 1207 O ILE A 76 -10.242 0.806 0.884 1.00 0.92 O ATOM 1208 CB ILE A 76 -7.943 2.344 1.683 1.00 0.67 C ATOM 1209 CG1 ILE A 76 -6.933 2.062 0.559 1.00 0.65 C ATOM 1210 CG2 ILE A 76 -7.314 3.302 2.678 1.00 0.67 C ATOM 1211 CD1 ILE A 76 -7.663 1.585 -0.676 1.00 1.08 C ATOM 0 H ILE A 76 -6.723 -0.059 2.142 1.00 0.47 H new ATOM 0 HA ILE A 76 -9.010 1.442 3.275 1.00 0.59 H new ATOM 0 HB ILE A 76 -8.823 2.780 1.211 1.00 0.67 H new ATOM 0 HG12 ILE A 76 -6.366 2.965 0.332 1.00 0.65 H new ATOM 0 HG13 ILE A 76 -6.215 1.308 0.883 1.00 0.65 H new ATOM 0 HG21 ILE A 76 -6.961 4.190 2.154 1.00 0.67 H new ATOM 0 HG22 ILE A 76 -8.055 3.591 3.423 1.00 0.67 H new ATOM 0 HG23 ILE A 76 -6.474 2.814 3.172 1.00 0.67 H new ATOM 0 HD11 ILE A 76 -6.943 1.386 -1.470 1.00 1.08 H new ATOM 0 HD12 ILE A 76 -8.210 0.671 -0.445 1.00 1.08 H new ATOM 0 HD13 ILE A 76 -8.363 2.353 -1.005 1.00 1.08 H new ATOM 1223 N GLY A 77 -9.211 -1.065 1.532 1.00 0.44 N ATOM 1224 CA GLY A 77 -10.043 -1.947 0.745 1.00 0.50 C ATOM 1225 C GLY A 77 -9.220 -3.150 0.354 1.00 0.39 C ATOM 1226 O GLY A 77 -8.099 -3.324 0.825 1.00 0.37 O ATOM 0 H GLY A 77 -8.487 -1.547 2.065 1.00 0.44 H new ATOM 0 HA2 GLY A 77 -10.918 -2.255 1.318 1.00 0.50 H new ATOM 0 HA3 GLY A 77 -10.409 -1.432 -0.143 1.00 0.50 H new ATOM 1230 N GLU A 78 -9.771 -3.982 -0.519 1.00 0.48 N ATOM 1231 CA GLU A 78 -9.044 -5.107 -1.060 1.00 0.50 C ATOM 1232 C GLU A 78 -9.189 -5.017 -2.573 1.00 0.55 C ATOM 1233 O GLU A 78 -10.056 -4.277 -3.051 1.00 0.61 O ATOM 1234 CB GLU A 78 -9.547 -6.422 -0.442 1.00 0.56 C ATOM 1235 CG GLU A 78 -9.764 -6.285 1.080 1.00 2.04 C ATOM 1236 CD GLU A 78 -9.808 -7.635 1.803 1.00 2.36 C ATOM 1237 OE1 GLU A 78 -10.614 -8.487 1.374 1.00 2.37 O ATOM 1238 OE2 GLU A 78 -9.033 -7.801 2.777 1.00 3.47 O ATOM 0 H GLU A 78 -10.726 -3.892 -0.866 1.00 0.48 H new ATOM 0 HA GLU A 78 -7.983 -5.087 -0.811 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -10.482 -6.715 -0.919 1.00 0.56 H new ATOM 0 HB3 GLU A 78 -8.827 -7.216 -0.638 1.00 0.56 H new ATOM 0 HG2 GLU A 78 -8.963 -5.679 1.502 1.00 2.04 H new ATOM 0 HG3 GLU A 78 -10.697 -5.751 1.262 1.00 2.04 H new ATOM 1245 N LEU A 79 -8.323 -5.691 -3.335 1.00 0.66 N ATOM 1246 CA LEU A 79 -8.504 -5.690 -4.771 1.00 0.76 C ATOM 1247 C LEU A 79 -9.873 -6.269 -5.098 1.00 0.59 C ATOM 1248 O LEU A 79 -10.424 -7.054 -4.324 1.00 0.81 O ATOM 1249 CB LEU A 79 -7.409 -6.517 -5.458 1.00 1.22 C ATOM 1250 CG LEU A 79 -6.092 -5.780 -5.719 1.00 0.68 C ATOM 1251 CD1 LEU A 79 -6.316 -4.335 -6.166 1.00 1.37 C ATOM 1252 CD2 LEU A 79 -5.152 -5.841 -4.515 1.00 1.72 C ATOM 0 H LEU A 79 -7.523 -6.222 -2.991 1.00 0.66 H new ATOM 0 HA LEU A 79 -8.436 -4.666 -5.138 1.00 0.76 H new ATOM 0 HB2 LEU A 79 -7.200 -7.392 -4.843 1.00 1.22 H new ATOM 0 HB3 LEU A 79 -7.796 -6.881 -6.410 1.00 1.22 H new ATOM 0 HG LEU A 79 -5.608 -6.305 -6.543 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -5.353 -3.854 -6.339 1.00 1.37 H new ATOM 0 HD12 LEU A 79 -6.897 -4.325 -7.088 1.00 1.37 H new ATOM 0 HD13 LEU A 79 -6.858 -3.794 -5.390 1.00 1.37 H new ATOM 0 HD21 LEU A 79 -4.231 -5.306 -4.745 1.00 1.72 H new ATOM 0 HD22 LEU A 79 -5.634 -5.380 -3.653 1.00 1.72 H new ATOM 0 HD23 LEU A 79 -4.920 -6.881 -4.287 1.00 1.72 H new ATOM 1264 N HIS A 80 -10.415 -5.874 -6.250 1.00 0.49 N ATOM 1265 CA HIS A 80 -11.722 -6.339 -6.685 1.00 0.65 C ATOM 1266 C HIS A 80 -11.875 -7.855 -6.529 1.00 1.17 C ATOM 1267 O HIS A 80 -10.943 -8.615 -6.782 1.00 1.40 O ATOM 1268 CB HIS A 80 -11.956 -5.948 -8.151 1.00 0.69 C ATOM 1269 CG HIS A 80 -13.116 -5.015 -8.370 1.00 0.78 C ATOM 1270 ND1 HIS A 80 -13.900 -4.961 -9.500 1.00 1.39 N ATOM 1271 CD2 HIS A 80 -13.580 -4.069 -7.496 1.00 0.88 C ATOM 1272 CE1 HIS A 80 -14.828 -4.009 -9.299 1.00 1.44 C ATOM 1273 NE2 HIS A 80 -14.679 -3.449 -8.091 1.00 1.06 N ATOM 0 H HIS A 80 -9.962 -5.230 -6.898 1.00 0.49 H new ATOM 0 HA HIS A 80 -12.466 -5.861 -6.048 1.00 0.65 H new ATOM 0 HB2 HIS A 80 -11.051 -5.479 -8.538 1.00 0.69 H new ATOM 0 HB3 HIS A 80 -12.120 -6.854 -8.734 1.00 0.69 H new ATOM 0 HD2 HIS A 80 -13.170 -3.844 -6.523 1.00 0.88 H new ATOM 0 HE1 HIS A 80 -15.589 -3.733 -10.014 1.00 1.44 H new ATOM 0 HE2 HIS A 80 -15.257 -2.713 -7.685 1.00 1.06 H new ATOM 1281 N PRO A 81 -13.076 -8.334 -6.209 1.00 1.62 N ATOM 1282 CA PRO A 81 -13.262 -9.753 -6.005 1.00 2.17 C ATOM 1283 C PRO A 81 -13.147 -10.509 -7.330 1.00 2.26 C ATOM 1284 O PRO A 81 -12.617 -11.616 -7.378 1.00 2.57 O ATOM 1285 CB PRO A 81 -14.628 -9.881 -5.329 1.00 2.67 C ATOM 1286 CG PRO A 81 -15.383 -8.604 -5.716 1.00 2.48 C ATOM 1287 CD PRO A 81 -14.291 -7.573 -6.001 1.00 1.82 C ATOM 0 HA PRO A 81 -12.494 -10.203 -5.375 1.00 2.17 H new ATOM 0 HB2 PRO A 81 -15.156 -10.771 -5.671 1.00 2.67 H new ATOM 0 HB3 PRO A 81 -14.527 -9.967 -4.247 1.00 2.67 H new ATOM 0 HG2 PRO A 81 -16.011 -8.766 -6.592 1.00 2.48 H new ATOM 0 HG3 PRO A 81 -16.038 -8.273 -4.910 1.00 2.48 H new ATOM 0 HD2 PRO A 81 -14.535 -6.978 -6.881 1.00 1.82 H new ATOM 0 HD3 PRO A 81 -14.180 -6.880 -5.167 1.00 1.82 H new ATOM 1295 N ASP A 82 -13.574 -9.884 -8.430 1.00 2.49 N ATOM 1296 CA ASP A 82 -13.415 -10.457 -9.760 1.00 2.66 C ATOM 1297 C ASP A 82 -12.010 -10.180 -10.318 1.00 2.47 C ATOM 1298 O ASP A 82 -11.636 -10.770 -11.327 1.00 2.61 O ATOM 1299 CB ASP A 82 -14.500 -9.907 -10.702 1.00 3.14 C ATOM 1300 CG ASP A 82 -15.843 -10.633 -10.550 1.00 4.31 C ATOM 1301 OD1 ASP A 82 -15.865 -11.869 -10.757 1.00 4.77 O ATOM 1302 OD2 ASP A 82 -16.845 -9.943 -10.258 1.00 5.40 O ATOM 0 H ASP A 82 -14.035 -8.974 -8.420 1.00 2.49 H new ATOM 0 HA ASP A 82 -13.531 -11.538 -9.687 1.00 2.66 H new ATOM 0 HB2 ASP A 82 -14.642 -8.845 -10.504 1.00 3.14 H new ATOM 0 HB3 ASP A 82 -14.159 -9.996 -11.733 1.00 3.14 H new ATOM 1307 N ASP A 83 -11.191 -9.326 -9.691 1.00 2.27 N ATOM 1308 CA ASP A 83 -9.835 -9.047 -10.188 1.00 2.28 C ATOM 1309 C ASP A 83 -8.951 -10.282 -10.074 1.00 2.27 C ATOM 1310 O ASP A 83 -7.989 -10.427 -10.819 1.00 2.88 O ATOM 1311 CB ASP A 83 -9.208 -7.841 -9.466 1.00 2.36 C ATOM 1312 CG ASP A 83 -7.685 -7.757 -9.608 1.00 3.08 C ATOM 1313 OD1 ASP A 83 -7.213 -7.661 -10.758 1.00 3.52 O ATOM 1314 OD2 ASP A 83 -7.016 -7.735 -8.553 1.00 4.27 O ATOM 0 H ASP A 83 -11.441 -8.818 -8.843 1.00 2.27 H new ATOM 0 HA ASP A 83 -9.914 -8.787 -11.244 1.00 2.28 H new ATOM 0 HB2 ASP A 83 -9.651 -6.925 -9.857 1.00 2.36 H new ATOM 0 HB3 ASP A 83 -9.462 -7.891 -8.407 1.00 2.36 H new ATOM 1319 N ARG A 84 -9.331 -11.240 -9.224 1.00 2.18 N ATOM 1320 CA ARG A 84 -8.533 -12.431 -8.978 1.00 2.61 C ATOM 1321 C ARG A 84 -8.074 -13.081 -10.280 1.00 2.91 C ATOM 1322 O ARG A 84 -6.932 -13.524 -10.357 1.00 3.44 O ATOM 1323 CB ARG A 84 -9.342 -13.404 -8.117 1.00 3.31 C ATOM 1324 CG ARG A 84 -8.528 -14.675 -7.839 1.00 4.21 C ATOM 1325 CD ARG A 84 -9.259 -15.597 -6.857 1.00 4.82 C ATOM 1326 NE ARG A 84 -9.500 -16.929 -7.435 1.00 6.00 N ATOM 1327 CZ ARG A 84 -8.587 -17.902 -7.565 1.00 6.60 C ATOM 1328 NH1 ARG A 84 -7.332 -17.707 -7.159 1.00 6.57 N ATOM 1329 NH2 ARG A 84 -8.934 -19.072 -8.106 1.00 7.82 N ATOM 0 H ARG A 84 -10.200 -11.206 -8.691 1.00 2.18 H new ATOM 0 HA ARG A 84 -7.627 -12.148 -8.442 1.00 2.61 H new ATOM 0 HB2 ARG A 84 -9.615 -12.926 -7.176 1.00 3.31 H new ATOM 0 HB3 ARG A 84 -10.271 -13.663 -8.625 1.00 3.31 H new ATOM 0 HG2 ARG A 84 -8.346 -15.206 -8.774 1.00 4.21 H new ATOM 0 HG3 ARG A 84 -7.554 -14.404 -7.432 1.00 4.21 H new ATOM 0 HD2 ARG A 84 -8.670 -15.697 -5.945 1.00 4.82 H new ATOM 0 HD3 ARG A 84 -10.210 -15.146 -6.574 1.00 4.82 H new ATOM 0 HE ARG A 84 -10.444 -17.129 -7.765 1.00 6.00 H new ATOM 0 HH11 ARG A 84 -7.062 -16.814 -6.747 1.00 6.57 H new ATOM 0 HH12 ARG A 84 -6.642 -18.451 -7.260 1.00 6.57 H new ATOM 0 HH21 ARG A 84 -9.892 -19.225 -8.420 1.00 7.82 H new ATOM 0 HH22 ARG A 84 -8.241 -19.813 -8.206 1.00 7.82 H new ATOM 1343 N SER A 85 -8.965 -13.165 -11.273 1.00 2.98 N ATOM 1344 CA SER A 85 -8.616 -13.628 -12.612 1.00 3.75 C ATOM 1345 C SER A 85 -9.782 -13.420 -13.593 1.00 4.46 C ATOM 1346 O SER A 85 -9.958 -14.243 -14.490 1.00 5.03 O ATOM 1347 CB SER A 85 -8.189 -15.108 -12.559 1.00 3.92 C ATOM 1348 OG SER A 85 -7.654 -15.547 -13.792 1.00 5.15 O ATOM 0 H SER A 85 -9.948 -12.913 -11.167 1.00 2.98 H new ATOM 0 HA SER A 85 -7.777 -13.037 -12.978 1.00 3.75 H new ATOM 0 HB2 SER A 85 -7.447 -15.244 -11.772 1.00 3.92 H new ATOM 0 HB3 SER A 85 -9.049 -15.725 -12.296 1.00 3.92 H new ATOM 0 HG SER A 85 -8.236 -15.255 -14.524 1.00 5.15 H new ATOM 1354 N LYS A 86 -10.613 -12.381 -13.431 1.00 4.79 N ATOM 1355 CA LYS A 86 -11.795 -12.207 -14.285 1.00 5.95 C ATOM 1356 C LYS A 86 -11.861 -10.818 -14.909 1.00 7.08 C ATOM 1357 O LYS A 86 -11.880 -10.701 -16.128 1.00 7.86 O ATOM 1358 CB LYS A 86 -13.079 -12.488 -13.493 1.00 6.05 C ATOM 1359 CG LYS A 86 -13.913 -13.603 -14.135 1.00 6.74 C ATOM 1360 CD LYS A 86 -15.366 -13.407 -13.707 1.00 7.81 C ATOM 1361 CE LYS A 86 -16.178 -14.694 -13.804 1.00 8.42 C ATOM 1362 NZ LYS A 86 -17.439 -14.555 -13.044 1.00 9.42 N ATOM 0 H LYS A 86 -10.490 -11.656 -12.724 1.00 4.79 H new ATOM 0 HA LYS A 86 -11.706 -12.927 -15.098 1.00 5.95 H new ATOM 0 HB2 LYS A 86 -12.822 -12.769 -12.472 1.00 6.05 H new ATOM 0 HB3 LYS A 86 -13.675 -11.577 -13.432 1.00 6.05 H new ATOM 0 HG2 LYS A 86 -13.827 -13.567 -15.221 1.00 6.74 H new ATOM 0 HG3 LYS A 86 -13.551 -14.581 -13.819 1.00 6.74 H new ATOM 0 HD2 LYS A 86 -15.394 -13.039 -12.681 1.00 7.81 H new ATOM 0 HD3 LYS A 86 -15.826 -12.642 -14.332 1.00 7.81 H new ATOM 0 HE2 LYS A 86 -16.396 -14.918 -14.848 1.00 8.42 H new ATOM 0 HE3 LYS A 86 -15.598 -15.530 -13.413 1.00 8.42 H new ATOM 0 HZ1 LYS A 86 -17.986 -15.436 -13.115 1.00 9.42 H new ATOM 0 HZ2 LYS A 86 -17.223 -14.362 -12.045 1.00 9.42 H new ATOM 0 HZ3 LYS A 86 -17.996 -13.769 -13.436 1.00 9.42 H new ATOM 1376 N LEU A 87 -11.920 -9.776 -14.075 1.00 7.46 N ATOM 1377 CA LEU A 87 -11.968 -8.376 -14.485 1.00 8.69 C ATOM 1378 C LEU A 87 -13.097 -8.097 -15.470 1.00 10.42 C ATOM 1379 O LEU A 87 -12.890 -7.460 -16.498 1.00 11.29 O ATOM 1380 CB LEU A 87 -10.598 -7.945 -15.033 1.00 8.56 C ATOM 1381 CG LEU A 87 -9.523 -8.031 -13.946 1.00 7.28 C ATOM 1382 CD1 LEU A 87 -8.121 -7.941 -14.552 1.00 7.48 C ATOM 1383 CD2 LEU A 87 -9.723 -6.882 -12.954 1.00 7.26 C ATOM 0 H LEU A 87 -11.936 -9.891 -13.062 1.00 7.46 H new ATOM 0 HA LEU A 87 -12.191 -7.772 -13.606 1.00 8.69 H new ATOM 0 HB2 LEU A 87 -10.322 -8.581 -15.874 1.00 8.56 H new ATOM 0 HB3 LEU A 87 -10.658 -6.924 -15.411 1.00 8.56 H new ATOM 0 HG LEU A 87 -9.616 -8.991 -13.438 1.00 7.28 H new ATOM 0 HD11 LEU A 87 -7.377 -8.005 -13.758 1.00 7.48 H new ATOM 0 HD12 LEU A 87 -7.974 -8.762 -15.254 1.00 7.48 H new ATOM 0 HD13 LEU A 87 -8.012 -6.992 -15.077 1.00 7.48 H new ATOM 0 HD21 LEU A 87 -8.961 -6.936 -12.176 1.00 7.26 H new ATOM 0 HD22 LEU A 87 -9.640 -5.930 -13.478 1.00 7.26 H new ATOM 0 HD23 LEU A 87 -10.711 -6.961 -12.500 1.00 7.26 H new ATOM 1395 N SER A 88 -14.312 -8.545 -15.150 1.00 11.25 N ATOM 1396 CA SER A 88 -15.462 -8.234 -15.978 1.00 13.02 C ATOM 1397 C SER A 88 -16.725 -8.359 -15.134 1.00 13.59 C ATOM 1398 O SER A 88 -16.729 -9.082 -14.139 1.00 13.26 O ATOM 1399 CB SER A 88 -15.480 -9.214 -17.156 1.00 13.45 C ATOM 1400 OG SER A 88 -15.945 -8.580 -18.332 1.00 15.03 O ATOM 0 H SER A 88 -14.517 -9.118 -14.331 1.00 11.25 H new ATOM 0 HA SER A 88 -15.410 -7.216 -16.365 1.00 13.02 H new ATOM 0 HB2 SER A 88 -14.477 -9.608 -17.322 1.00 13.45 H new ATOM 0 HB3 SER A 88 -16.120 -10.063 -16.918 1.00 13.45 H new ATOM 0 HG SER A 88 -15.947 -9.223 -19.072 1.00 15.03 H new ATOM 1406 N LYS A 89 -17.815 -7.712 -15.555 1.00 14.70 N ATOM 1407 CA LYS A 89 -19.103 -7.798 -14.875 1.00 15.63 C ATOM 1408 C LYS A 89 -20.188 -8.002 -15.935 1.00 16.63 C ATOM 1409 O LYS A 89 -20.860 -7.052 -16.326 1.00 17.66 O ATOM 1410 CB LYS A 89 -19.293 -6.554 -13.976 1.00 16.07 C ATOM 1411 CG LYS A 89 -19.427 -6.947 -12.497 1.00 16.46 C ATOM 1412 CD LYS A 89 -20.875 -7.322 -12.145 1.00 17.36 C ATOM 1413 CE LYS A 89 -20.943 -8.630 -11.348 1.00 17.58 C ATOM 1414 NZ LYS A 89 -21.951 -9.556 -11.915 1.00 18.27 N ATOM 0 H LYS A 89 -17.825 -7.113 -16.380 1.00 14.70 H new ATOM 0 HA LYS A 89 -19.163 -8.652 -14.200 1.00 15.63 H new ATOM 0 HB2 LYS A 89 -18.445 -5.881 -14.100 1.00 16.07 H new ATOM 0 HB3 LYS A 89 -20.182 -6.008 -14.291 1.00 16.07 H new ATOM 0 HG2 LYS A 89 -18.769 -7.789 -12.282 1.00 16.46 H new ATOM 0 HG3 LYS A 89 -19.101 -6.119 -11.868 1.00 16.46 H new ATOM 0 HD2 LYS A 89 -21.329 -6.518 -11.565 1.00 17.36 H new ATOM 0 HD3 LYS A 89 -21.458 -7.423 -13.061 1.00 17.36 H new ATOM 0 HE2 LYS A 89 -19.964 -9.110 -11.349 1.00 17.58 H new ATOM 0 HE3 LYS A 89 -21.190 -8.412 -10.309 1.00 17.58 H new ATOM 0 HZ1 LYS A 89 -21.973 -10.431 -11.354 1.00 18.27 H new ATOM 0 HZ2 LYS A 89 -22.888 -9.106 -11.891 1.00 18.27 H new ATOM 0 HZ3 LYS A 89 -21.700 -9.782 -12.899 1.00 18.27 H new ATOM 1428 N PRO A 90 -20.319 -9.228 -16.460 1.00 16.50 N ATOM 1429 CA PRO A 90 -21.351 -9.562 -17.421 1.00 17.58 C ATOM 1430 C PRO A 90 -22.701 -9.669 -16.710 1.00 18.46 C ATOM 1431 O PRO A 90 -22.788 -9.509 -15.487 1.00 18.55 O ATOM 1432 CB PRO A 90 -20.905 -10.888 -18.043 1.00 17.26 C ATOM 1433 CG PRO A 90 -20.082 -11.559 -16.942 1.00 16.16 C ATOM 1434 CD PRO A 90 -19.553 -10.405 -16.087 1.00 15.58 C ATOM 0 HA PRO A 90 -21.481 -8.805 -18.195 1.00 17.58 H new ATOM 0 HB2 PRO A 90 -21.759 -11.500 -18.331 1.00 17.26 H new ATOM 0 HB3 PRO A 90 -20.311 -10.726 -18.942 1.00 17.26 H new ATOM 0 HG2 PRO A 90 -20.694 -12.240 -16.351 1.00 16.16 H new ATOM 0 HG3 PRO A 90 -19.265 -12.146 -17.362 1.00 16.16 H new ATOM 0 HD2 PRO A 90 -19.670 -10.624 -15.026 1.00 15.58 H new ATOM 0 HD3 PRO A 90 -18.489 -10.247 -16.264 1.00 15.58 H new ATOM 1442 N MET A 91 -23.748 -9.967 -17.484 1.00 19.31 N ATOM 1443 CA MET A 91 -25.111 -10.094 -17.005 1.00 20.36 C ATOM 1444 C MET A 91 -25.708 -11.358 -17.624 1.00 20.73 C ATOM 1445 O MET A 91 -25.268 -11.772 -18.695 1.00 20.41 O ATOM 1446 CB MET A 91 -25.903 -8.851 -17.437 1.00 21.37 C ATOM 1447 CG MET A 91 -27.140 -8.675 -16.557 1.00 22.52 C ATOM 1448 SD MET A 91 -28.525 -7.815 -17.340 1.00 24.10 S ATOM 1449 CE MET A 91 -29.862 -8.667 -16.461 1.00 25.18 C ATOM 0 H MET A 91 -23.660 -10.129 -18.487 1.00 19.31 H new ATOM 0 HA MET A 91 -25.147 -10.169 -15.918 1.00 20.36 H new ATOM 0 HB2 MET A 91 -25.270 -7.966 -17.367 1.00 21.37 H new ATOM 0 HB3 MET A 91 -26.202 -8.947 -18.481 1.00 21.37 H new ATOM 0 HG2 MET A 91 -27.480 -9.659 -16.234 1.00 22.52 H new ATOM 0 HG3 MET A 91 -26.853 -8.127 -15.660 1.00 22.52 H new ATOM 0 HE1 MET A 91 -30.824 -8.281 -16.799 1.00 25.18 H new ATOM 0 HE2 MET A 91 -29.808 -9.736 -16.665 1.00 25.18 H new ATOM 0 HE3 MET A 91 -29.759 -8.496 -15.389 1.00 25.18 H new ATOM 1459 N GLU A 92 -26.717 -11.949 -16.986 1.00 21.63 N ATOM 1460 CA GLU A 92 -27.477 -13.068 -17.521 1.00 22.36 C ATOM 1461 C GLU A 92 -28.904 -12.972 -16.974 1.00 23.58 C ATOM 1462 O GLU A 92 -29.159 -12.156 -16.086 1.00 23.89 O ATOM 1463 CB GLU A 92 -26.772 -14.386 -17.162 1.00 21.99 C ATOM 1464 CG GLU A 92 -26.720 -14.696 -15.654 1.00 22.67 C ATOM 1465 CD GLU A 92 -27.834 -15.640 -15.195 1.00 24.05 C ATOM 1466 OE1 GLU A 92 -27.976 -16.707 -15.830 1.00 24.15 O ATOM 1467 OE2 GLU A 92 -28.507 -15.295 -14.199 1.00 25.13 O ATOM 0 H GLU A 92 -27.033 -11.653 -16.062 1.00 21.63 H new ATOM 0 HA GLU A 92 -27.533 -13.039 -18.609 1.00 22.36 H new ATOM 0 HB2 GLU A 92 -27.281 -15.205 -17.670 1.00 21.99 H new ATOM 0 HB3 GLU A 92 -25.753 -14.355 -17.548 1.00 21.99 H new ATOM 0 HG2 GLU A 92 -25.754 -15.140 -15.414 1.00 22.67 H new ATOM 0 HG3 GLU A 92 -26.790 -13.763 -15.095 1.00 22.67 H new ATOM 1474 N THR A 93 -29.836 -13.762 -17.508 1.00 24.42 N ATOM 1475 CA THR A 93 -31.196 -13.858 -16.993 1.00 25.70 C ATOM 1476 C THR A 93 -31.837 -15.126 -17.551 1.00 26.48 C ATOM 1477 O THR A 93 -31.308 -15.729 -18.486 1.00 26.18 O ATOM 1478 CB THR A 93 -32.010 -12.592 -17.342 1.00 26.31 C ATOM 1479 OG1 THR A 93 -33.356 -12.708 -16.917 1.00 27.50 O ATOM 1480 CG2 THR A 93 -32.038 -12.235 -18.832 1.00 26.07 C ATOM 0 H THR A 93 -29.663 -14.358 -18.318 1.00 24.42 H new ATOM 0 HA THR A 93 -31.180 -13.921 -15.905 1.00 25.70 H new ATOM 0 HB THR A 93 -31.485 -11.798 -16.812 1.00 26.31 H new ATOM 0 HG1 THR A 93 -33.870 -13.203 -17.589 1.00 27.50 H new ATOM 0 HG21 THR A 93 -32.633 -11.333 -18.979 1.00 26.07 H new ATOM 0 HG22 THR A 93 -31.021 -12.060 -19.184 1.00 26.07 H new ATOM 0 HG23 THR A 93 -32.480 -13.057 -19.395 1.00 26.07 H new ATOM 1488 N LEU A 94 -32.992 -15.494 -16.990 1.00 27.63 N ATOM 1489 CA LEU A 94 -33.915 -16.425 -17.617 1.00 28.67 C ATOM 1490 C LEU A 94 -34.369 -15.826 -18.939 1.00 28.72 C ATOM 1491 O LEU A 94 -34.605 -16.618 -19.875 1.00 29.13 O ATOM 1492 CB LEU A 94 -35.116 -16.668 -16.689 1.00 29.99 C ATOM 1493 CG LEU A 94 -35.989 -17.823 -17.206 1.00 30.99 C ATOM 1494 CD1 LEU A 94 -36.543 -18.608 -16.013 1.00 32.30 C ATOM 1495 CD2 LEU A 94 -37.166 -17.351 -18.068 1.00 31.61 C ATOM 1496 OXT LEU A 94 -34.517 -14.581 -18.943 1.00 28.54 O ATOM 0 H LEU A 94 -33.308 -15.149 -16.084 1.00 27.63 H new ATOM 0 HA LEU A 94 -33.429 -17.383 -17.798 1.00 28.67 H new ATOM 0 HB2 LEU A 94 -34.762 -16.897 -15.684 1.00 29.99 H new ATOM 0 HB3 LEU A 94 -35.714 -15.760 -16.617 1.00 29.99 H new ATOM 0 HG LEU A 94 -35.351 -18.444 -17.834 1.00 30.99 H new ATOM 0 HD11 LEU A 94 -37.163 -19.429 -16.374 1.00 32.30 H new ATOM 0 HD12 LEU A 94 -35.717 -19.009 -15.426 1.00 32.30 H new ATOM 0 HD13 LEU A 94 -37.144 -17.946 -15.389 1.00 32.30 H new ATOM 0 HD21 LEU A 94 -37.742 -18.214 -18.401 1.00 31.61 H new ATOM 0 HD22 LEU A 94 -37.806 -16.692 -17.481 1.00 31.61 H new ATOM 0 HD23 LEU A 94 -36.788 -16.811 -18.936 1.00 31.61 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.420 -0.456 5.804 1.00 0.33 FE HETATM 1510 CHA HEM A 95 11.231 -0.422 7.769 1.00 0.50 C HETATM 1511 CHB HEM A 95 6.387 -0.363 8.561 1.00 0.34 C HETATM 1512 CHC HEM A 95 5.646 -0.809 3.720 1.00 0.35 C HETATM 1513 CHD HEM A 95 10.453 -0.234 2.922 1.00 0.39 C HETATM 1514 NA HEM A 95 8.746 -0.427 7.801 1.00 0.38 N HETATM 1515 C1A HEM A 95 9.974 -0.473 8.380 1.00 0.46 C HETATM 1516 C2A HEM A 95 9.771 -0.624 9.803 1.00 0.50 C HETATM 1517 C3A HEM A 95 8.418 -0.480 10.040 1.00 0.44 C HETATM 1518 C4A HEM A 95 7.770 -0.410 8.751 1.00 0.38 C HETATM 1519 CMA HEM A 95 7.710 -0.461 11.377 1.00 0.48 C HETATM 1520 CAA HEM A 95 10.858 -0.945 10.816 1.00 0.59 C HETATM 1521 CBA HEM A 95 11.578 -2.288 10.603 1.00 1.60 C HETATM 1522 CGA HEM A 95 10.908 -3.202 9.579 1.00 3.23 C HETATM 1523 O1A HEM A 95 11.561 -3.482 8.551 1.00 4.14 O HETATM 1524 O2A HEM A 95 9.747 -3.594 9.829 1.00 4.47 O HETATM 1525 NB HEM A 95 6.407 -0.554 6.080 1.00 0.32 N HETATM 1526 C1B HEM A 95 5.796 -0.475 7.303 1.00 0.32 C HETATM 1527 C2B HEM A 95 4.376 -0.579 7.088 1.00 0.34 C HETATM 1528 C3B HEM A 95 4.192 -0.757 5.744 1.00 0.35 C HETATM 1529 C4B HEM A 95 5.469 -0.708 5.089 1.00 0.34 C HETATM 1530 CMB HEM A 95 3.328 -0.602 8.153 1.00 0.38 C HETATM 1531 CAB HEM A 95 2.865 -0.991 5.061 1.00 0.39 C HETATM 1532 CBB HEM A 95 2.287 -2.210 5.102 1.00 0.95 C HETATM 1533 NC HEM A 95 8.105 -0.481 3.710 1.00 0.33 N HETATM 1534 C1C HEM A 95 6.887 -0.674 3.119 1.00 0.34 C HETATM 1535 C2C HEM A 95 7.097 -0.770 1.699 1.00 0.37 C HETATM 1536 C3C HEM A 95 8.422 -0.507 1.477 1.00 0.37 C HETATM 1537 C4C HEM A 95 9.084 -0.391 2.749 1.00 0.35 C HETATM 1538 CMC HEM A 95 6.085 -1.219 0.694 1.00 0.46 C HETATM 1539 CAC HEM A 95 9.102 -0.511 0.123 1.00 0.41 C HETATM 1540 CBC HEM A 95 8.566 0.130 -0.941 1.00 0.58 C HETATM 1541 ND HEM A 95 10.475 -0.300 5.414 1.00 0.40 N HETATM 1542 C1D HEM A 95 11.059 -0.207 4.178 1.00 0.41 C HETATM 1543 C2D HEM A 95 12.480 -0.093 4.380 1.00 0.48 C HETATM 1544 C3D HEM A 95 12.707 -0.114 5.739 1.00 0.52 C HETATM 1545 C4D HEM A 95 11.426 -0.291 6.389 1.00 0.47 C HETATM 1546 CMD HEM A 95 13.523 0.017 3.294 1.00 0.55 C HETATM 1547 CAD HEM A 95 14.056 0.018 6.416 1.00 0.62 C HETATM 1548 CBD HEM A 95 14.905 1.215 5.947 1.00 2.15 C HETATM 1549 CGD HEM A 95 16.235 0.780 5.332 1.00 2.98 C HETATM 1550 O1D HEM A 95 16.988 0.078 6.041 1.00 3.12 O HETATM 1551 O2D HEM A 95 16.479 1.162 4.167 1.00 4.38 O HETATM 0 HMA1 HEM A 95 6.790 0.117 11.293 1.00 0.48 H new HETATM 0 HMA2 HEM A 95 8.358 -0.005 12.125 1.00 0.48 H new HETATM 0 HMA3 HEM A 95 7.472 -1.481 11.677 1.00 0.48 H new HETATM 0 HMB1 HEM A 95 3.739 -1.050 9.058 1.00 0.38 H new HETATM 0 HMB2 HEM A 95 2.475 -1.189 7.812 1.00 0.38 H new HETATM 0 HMB3 HEM A 95 3.005 0.417 8.367 1.00 0.38 H new HETATM 0 HMC1 HEM A 95 5.404 -1.933 1.157 1.00 0.46 H new HETATM 0 HMC2 HEM A 95 6.592 -1.694 -0.146 1.00 0.46 H new HETATM 0 HMC3 HEM A 95 5.520 -0.358 0.337 1.00 0.46 H new HETATM 0 HMD1 HEM A 95 13.178 -0.508 2.403 1.00 0.55 H new HETATM 0 HMD2 HEM A 95 14.456 -0.428 3.639 1.00 0.55 H new HETATM 0 HMD3 HEM A 95 13.689 1.067 3.054 1.00 0.55 H new HETATM 0 HBB1 HEM A 95 1.329 -2.376 4.608 1.00 0.95 H new HETATM 0 HBB2 HEM A 95 2.778 -3.028 5.629 1.00 0.95 H new HETATM 0 HBC1 HEM A 95 9.077 0.110 -1.903 1.00 0.58 H new HETATM 0 HBC2 HEM A 95 7.623 0.666 -0.836 1.00 0.58 H new HETATM 0 HBA1 HEM A 95 11.636 -2.811 11.557 1.00 1.60 H new HETATM 0 HBA2 HEM A 95 12.602 -2.092 10.284 1.00 1.60 H new HETATM 0 HAA1 HEM A 95 10.416 -0.942 11.812 1.00 0.59 H new HETATM 0 HAA2 HEM A 95 11.599 -0.146 10.794 1.00 0.59 H new HETATM 0 HBD1 HEM A 95 15.097 1.874 6.793 1.00 2.15 H new HETATM 0 HBD2 HEM A 95 14.341 1.793 5.215 1.00 2.15 H new HETATM 0 HAD1 HEM A 95 14.622 -0.898 6.247 1.00 0.62 H new HETATM 0 HAD2 HEM A 95 13.899 0.102 7.491 1.00 0.62 H new HETATM 0 HHA HEM A 95 12.105 -0.488 8.400 1.00 0.50 H new HETATM 0 HHB HEM A 95 5.750 -0.235 9.423 1.00 0.34 H new HETATM 0 HHC HEM A 95 4.785 -1.000 3.097 1.00 0.35 H new HETATM 0 HHD HEM A 95 11.076 -0.128 2.046 1.00 0.39 H new HETATM 0 HAB HEM A 95 2.373 -0.173 4.534 1.00 0.39 H new HETATM 0 HAC HEM A 95 10.046 -1.043 0.003 1.00 0.41 H new