USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=22 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 17 HIS : no HD1:sc= 0.0129 X(o=0.032,f=-0.25) USER MOD Set 1.2: A 20 SER OG : rot -155:sc= 0.0186 USER MOD Single : A 1 ASP N :NH3+ 129:sc= 0.209 (180deg=0.0114) 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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.000773) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -6.28 K(o=-6.3,f=-8.9!) USER MOD Single : A 16 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.38) 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 21 THR OG1 : rot -140:sc= -0.152 USER MOD Single : A 26 HIS : no HD1:sc= -0.385 X(o=-0.38,f=-0.049) USER MOD Single : A 27 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.39) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 33 THR OG1 : rot 91:sc= 0.0416 USER MOD Single : A 34 LYS NZ :NH3+ 138:sc= 2.47 (180deg=0.945) USER MOD Single : A 49 GLN : amide:sc= -0.229 K(o=-0.23,f=-2.1) USER MOD Single : A 55 THR OG1 : rot 91:sc= 0.424 USER MOD Single : A 57 ASN : amide:sc= -0.944 X(o=-0.94,f=-0.74) USER MOD Single : A 64 SER OG : rot 144:sc= 1.21 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.175 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1.6) USER MOD Single : A 85 SER OG : rot 180:sc= 0 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 56:sc= 0.575 USER MOD Single : A 95 HEM CMA :methyl 150:sc= -0.613 (180deg=-0.613) USER MOD Single : A 95 HEM CMB :methyl -30:sc= -7.1! (180deg=-9.29!) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -4.44! (180deg=-5.76!) USER MOD Single : A 95 HEM CMD :methyl 150:sc= -0.266 (180deg=-0.266) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.894 2.947 6.232 1.00 10.18 N ATOM 2 CA ASP A 1 -19.740 2.400 5.168 1.00 9.70 C ATOM 3 C ASP A 1 -19.972 0.949 5.569 1.00 8.57 C ATOM 4 O ASP A 1 -19.065 0.399 6.187 1.00 8.41 O ATOM 5 CB ASP A 1 -19.016 2.606 3.834 1.00 10.44 C ATOM 6 CG ASP A 1 -20.021 2.633 2.702 1.00 11.41 C ATOM 7 OD1 ASP A 1 -21.034 1.921 2.870 1.00 11.56 O ATOM 8 OD2 ASP A 1 -19.792 3.428 1.765 1.00 12.33 O ATOM 0 H1 ASP A 1 -18.067 3.417 5.811 1.00 10.18 H new ATOM 0 H2 ASP A 1 -19.438 3.637 6.788 1.00 10.18 H new ATOM 0 H3 ASP A 1 -18.575 2.176 6.853 1.00 10.18 H new ATOM 0 HA ASP A 1 -20.710 2.881 5.040 1.00 9.70 H new ATOM 0 HB2 ASP A 1 -18.454 3.540 3.856 1.00 10.44 H new ATOM 0 HB3 ASP A 1 -18.296 1.804 3.673 1.00 10.44 H new ATOM 15 N LYS A 2 -21.176 0.371 5.445 1.00 8.26 N ATOM 16 CA LYS A 2 -21.345 -1.013 5.922 1.00 7.62 C ATOM 17 C LYS A 2 -20.530 -1.939 5.027 1.00 6.20 C ATOM 18 O LYS A 2 -19.964 -2.923 5.497 1.00 5.78 O ATOM 19 CB LYS A 2 -22.815 -1.462 5.918 1.00 8.66 C ATOM 20 CG LYS A 2 -23.597 -0.854 7.091 1.00 9.77 C ATOM 21 CD LYS A 2 -25.116 -0.852 6.850 1.00 11.01 C ATOM 22 CE LYS A 2 -25.832 -2.023 7.538 1.00 11.43 C ATOM 23 NZ LYS A 2 -26.888 -1.550 8.462 1.00 12.71 N ATOM 0 H LYS A 2 -22.005 0.808 5.043 1.00 8.26 H new ATOM 0 HA LYS A 2 -20.998 -1.058 6.954 1.00 7.62 H new ATOM 0 HB2 LYS A 2 -23.283 -1.169 4.978 1.00 8.66 H new ATOM 0 HB3 LYS A 2 -22.864 -2.550 5.973 1.00 8.66 H new ATOM 0 HG2 LYS A 2 -23.377 -1.415 7.999 1.00 9.77 H new ATOM 0 HG3 LYS A 2 -23.258 0.168 7.258 1.00 9.77 H new ATOM 0 HD2 LYS A 2 -25.535 0.087 7.212 1.00 11.01 H new ATOM 0 HD3 LYS A 2 -25.309 -0.894 5.778 1.00 11.01 H new ATOM 0 HE2 LYS A 2 -26.273 -2.674 6.783 1.00 11.43 H new ATOM 0 HE3 LYS A 2 -25.106 -2.620 8.090 1.00 11.43 H new ATOM 0 HZ1 LYS A 2 -27.350 -2.368 8.909 1.00 12.71 H new ATOM 0 HZ2 LYS A 2 -26.463 -0.949 9.196 1.00 12.71 H new ATOM 0 HZ3 LYS A 2 -27.594 -1.001 7.931 1.00 12.71 H new ATOM 37 N ASP A 3 -20.492 -1.602 3.742 1.00 6.05 N ATOM 38 CA ASP A 3 -19.636 -2.232 2.758 1.00 5.08 C ATOM 39 C ASP A 3 -18.180 -1.884 3.062 1.00 4.24 C ATOM 40 O ASP A 3 -17.876 -1.120 3.977 1.00 4.90 O ATOM 41 CB ASP A 3 -20.034 -1.743 1.358 1.00 5.83 C ATOM 42 CG ASP A 3 -21.322 -2.397 0.853 1.00 6.75 C ATOM 43 OD1 ASP A 3 -22.251 -2.568 1.675 1.00 7.06 O ATOM 44 OD2 ASP A 3 -21.351 -2.730 -0.351 1.00 7.69 O ATOM 0 H ASP A 3 -21.074 -0.862 3.351 1.00 6.05 H new ATOM 0 HA ASP A 3 -19.750 -3.315 2.795 1.00 5.08 H new ATOM 0 HB2 ASP A 3 -20.163 -0.661 1.378 1.00 5.83 H new ATOM 0 HB3 ASP A 3 -19.225 -1.955 0.659 1.00 5.83 H new ATOM 49 N VAL A 4 -17.256 -2.445 2.287 1.00 3.01 N ATOM 50 CA VAL A 4 -15.836 -2.247 2.508 1.00 2.35 C ATOM 51 C VAL A 4 -15.366 -1.112 1.597 1.00 1.85 C ATOM 52 O VAL A 4 -15.906 -0.008 1.625 1.00 2.53 O ATOM 53 CB VAL A 4 -15.104 -3.591 2.331 1.00 1.97 C ATOM 54 CG1 VAL A 4 -13.685 -3.503 2.916 1.00 2.29 C ATOM 55 CG2 VAL A 4 -15.852 -4.741 3.020 1.00 2.56 C ATOM 0 H VAL A 4 -17.474 -3.046 1.493 1.00 3.01 H new ATOM 0 HA VAL A 4 -15.604 -1.932 3.526 1.00 2.35 H new ATOM 0 HB VAL A 4 -15.059 -3.796 1.261 1.00 1.97 H new ATOM 0 HG11 VAL A 4 -13.178 -4.459 2.785 1.00 2.29 H new ATOM 0 HG12 VAL A 4 -13.127 -2.722 2.400 1.00 2.29 H new ATOM 0 HG13 VAL A 4 -13.743 -3.266 3.978 1.00 2.29 H new ATOM 0 HG21 VAL A 4 -15.304 -5.672 2.872 1.00 2.56 H new ATOM 0 HG22 VAL A 4 -15.934 -4.534 4.087 1.00 2.56 H new ATOM 0 HG23 VAL A 4 -16.849 -4.835 2.591 1.00 2.56 H new ATOM 65 N LYS A 5 -14.342 -1.373 0.789 1.00 1.12 N ATOM 66 CA LYS A 5 -13.876 -0.440 -0.224 1.00 0.81 C ATOM 67 C LYS A 5 -13.868 -1.079 -1.593 1.00 0.84 C ATOM 68 O LYS A 5 -14.518 -0.561 -2.487 1.00 1.83 O ATOM 69 CB LYS A 5 -12.510 0.138 0.128 1.00 1.07 C ATOM 70 CG LYS A 5 -12.608 1.652 0.355 1.00 1.84 C ATOM 71 CD LYS A 5 -12.839 2.004 1.827 1.00 2.45 C ATOM 72 CE LYS A 5 -13.992 3.002 1.938 1.00 2.61 C ATOM 73 NZ LYS A 5 -13.633 4.159 2.781 1.00 3.88 N ATOM 0 H LYS A 5 -13.811 -2.244 0.822 1.00 1.12 H new ATOM 0 HA LYS A 5 -14.580 0.391 -0.250 1.00 0.81 H new ATOM 0 HB2 LYS A 5 -12.124 -0.346 1.025 1.00 1.07 H new ATOM 0 HB3 LYS A 5 -11.803 -0.070 -0.675 1.00 1.07 H new ATOM 0 HG2 LYS A 5 -11.691 2.129 0.009 1.00 1.84 H new ATOM 0 HG3 LYS A 5 -13.424 2.055 -0.245 1.00 1.84 H new ATOM 0 HD2 LYS A 5 -13.068 1.103 2.396 1.00 2.45 H new ATOM 0 HD3 LYS A 5 -11.932 2.430 2.257 1.00 2.45 H new ATOM 0 HE2 LYS A 5 -14.270 3.349 0.943 1.00 2.61 H new ATOM 0 HE3 LYS A 5 -14.866 2.503 2.357 1.00 2.61 H new ATOM 0 HZ1 LYS A 5 -14.439 4.814 2.833 1.00 3.88 H new ATOM 0 HZ2 LYS A 5 -13.392 3.830 3.738 1.00 3.88 H new ATOM 0 HZ3 LYS A 5 -12.815 4.649 2.367 1.00 3.88 H new ATOM 87 N TYR A 6 -13.163 -2.207 -1.709 1.00 0.80 N ATOM 88 CA TYR A 6 -13.028 -3.000 -2.912 1.00 0.66 C ATOM 89 C TYR A 6 -12.724 -2.124 -4.129 1.00 0.55 C ATOM 90 O TYR A 6 -13.632 -1.689 -4.828 1.00 0.63 O ATOM 91 CB TYR A 6 -14.284 -3.860 -3.070 1.00 0.82 C ATOM 92 CG TYR A 6 -14.211 -5.253 -2.472 1.00 0.84 C ATOM 93 CD1 TYR A 6 -13.573 -5.494 -1.238 1.00 2.08 C ATOM 94 CD2 TYR A 6 -14.788 -6.327 -3.177 1.00 1.75 C ATOM 95 CE1 TYR A 6 -13.488 -6.801 -0.729 1.00 2.18 C ATOM 96 CE2 TYR A 6 -14.697 -7.638 -2.682 1.00 2.07 C ATOM 97 CZ TYR A 6 -14.030 -7.881 -1.459 1.00 1.55 C ATOM 98 OH TYR A 6 -13.892 -9.149 -0.982 1.00 2.03 O ATOM 0 H TYR A 6 -12.649 -2.603 -0.922 1.00 0.80 H new ATOM 0 HA TYR A 6 -12.171 -3.669 -2.831 1.00 0.66 H new ATOM 0 HB2 TYR A 6 -15.122 -3.333 -2.614 1.00 0.82 H new ATOM 0 HB3 TYR A 6 -14.506 -3.953 -4.133 1.00 0.82 H new ATOM 0 HD1 TYR A 6 -13.148 -4.671 -0.682 1.00 2.08 H new ATOM 0 HD2 TYR A 6 -15.305 -6.141 -4.107 1.00 1.75 H new ATOM 0 HE1 TYR A 6 -13.008 -6.980 0.222 1.00 2.18 H new ATOM 0 HE2 TYR A 6 -15.135 -8.457 -3.233 1.00 2.07 H new ATOM 0 HH TYR A 6 -14.320 -9.779 -1.599 1.00 2.03 H new ATOM 108 N TYR A 7 -11.446 -1.865 -4.414 1.00 0.44 N ATOM 109 CA TYR A 7 -11.079 -1.022 -5.524 1.00 0.39 C ATOM 110 C TYR A 7 -10.540 -1.868 -6.675 1.00 0.46 C ATOM 111 O TYR A 7 -10.178 -3.032 -6.496 1.00 0.51 O ATOM 112 CB TYR A 7 -10.036 -0.039 -5.010 1.00 0.36 C ATOM 113 CG TYR A 7 -10.584 1.154 -4.260 1.00 0.46 C ATOM 114 CD1 TYR A 7 -11.523 2.008 -4.867 1.00 1.78 C ATOM 115 CD2 TYR A 7 -10.108 1.446 -2.970 1.00 1.71 C ATOM 116 CE1 TYR A 7 -11.969 3.162 -4.202 1.00 1.88 C ATOM 117 CE2 TYR A 7 -10.546 2.595 -2.298 1.00 1.78 C ATOM 118 CZ TYR A 7 -11.478 3.460 -2.909 1.00 0.89 C ATOM 119 OH TYR A 7 -11.819 4.623 -2.284 1.00 1.16 O ATOM 0 H TYR A 7 -10.657 -2.233 -3.883 1.00 0.44 H new ATOM 0 HA TYR A 7 -11.941 -0.479 -5.913 1.00 0.39 H new ATOM 0 HB2 TYR A 7 -9.349 -0.574 -4.355 1.00 0.36 H new ATOM 0 HB3 TYR A 7 -9.453 0.322 -5.857 1.00 0.36 H new ATOM 0 HD1 TYR A 7 -11.903 1.775 -5.851 1.00 1.78 H new ATOM 0 HD2 TYR A 7 -9.401 0.782 -2.495 1.00 1.71 H new ATOM 0 HE1 TYR A 7 -12.684 3.819 -4.676 1.00 1.88 H new ATOM 0 HE2 TYR A 7 -10.169 2.819 -1.311 1.00 1.78 H new ATOM 0 HH TYR A 7 -11.391 4.659 -1.403 1.00 1.16 H new ATOM 129 N THR A 8 -10.472 -1.273 -7.864 1.00 0.58 N ATOM 130 CA THR A 8 -10.048 -1.952 -9.076 1.00 0.67 C ATOM 131 C THR A 8 -8.608 -1.561 -9.353 1.00 0.68 C ATOM 132 O THR A 8 -8.179 -0.493 -8.925 1.00 0.70 O ATOM 133 CB THR A 8 -10.939 -1.511 -10.240 1.00 0.76 C ATOM 134 OG1 THR A 8 -10.863 -0.115 -10.416 1.00 0.93 O ATOM 135 CG2 THR A 8 -12.393 -1.896 -9.999 1.00 0.74 C ATOM 0 H THR A 8 -10.714 -0.293 -8.010 1.00 0.58 H new ATOM 0 HA THR A 8 -10.128 -3.033 -8.960 1.00 0.67 H new ATOM 0 HB THR A 8 -10.580 -2.018 -11.135 1.00 0.76 H new ATOM 0 HG1 THR A 8 -11.436 0.152 -11.165 1.00 0.93 H new ATOM 0 HG21 THR A 8 -13.001 -1.569 -10.843 1.00 0.74 H new ATOM 0 HG22 THR A 8 -12.470 -2.978 -9.894 1.00 0.74 H new ATOM 0 HG23 THR A 8 -12.750 -1.416 -9.088 1.00 0.74 H new ATOM 143 N LEU A 9 -7.853 -2.364 -10.104 1.00 0.70 N ATOM 144 CA LEU A 9 -6.460 -2.022 -10.368 1.00 0.70 C ATOM 145 C LEU A 9 -6.375 -0.671 -11.048 1.00 0.73 C ATOM 146 O LEU A 9 -5.566 0.162 -10.657 1.00 0.65 O ATOM 147 CB LEU A 9 -5.763 -3.073 -11.234 1.00 0.83 C ATOM 148 CG LEU A 9 -5.754 -4.472 -10.618 1.00 0.90 C ATOM 149 CD1 LEU A 9 -5.439 -4.460 -9.125 1.00 1.05 C ATOM 150 CD2 LEU A 9 -7.080 -5.193 -10.831 1.00 1.10 C ATOM 0 H LEU A 9 -8.174 -3.234 -10.530 1.00 0.70 H new ATOM 0 HA LEU A 9 -5.949 -1.988 -9.406 1.00 0.70 H new ATOM 0 HB2 LEU A 9 -6.257 -3.117 -12.204 1.00 0.83 H new ATOM 0 HB3 LEU A 9 -4.735 -2.759 -11.414 1.00 0.83 H new ATOM 0 HG LEU A 9 -4.958 -5.007 -11.136 1.00 0.90 H new ATOM 0 HD11 LEU A 9 -5.447 -5.481 -8.743 1.00 1.05 H new ATOM 0 HD12 LEU A 9 -4.455 -4.020 -8.964 1.00 1.05 H new ATOM 0 HD13 LEU A 9 -6.190 -3.870 -8.599 1.00 1.05 H new ATOM 0 HD21 LEU A 9 -7.032 -6.183 -10.378 1.00 1.10 H new ATOM 0 HD22 LEU A 9 -7.884 -4.621 -10.368 1.00 1.10 H new ATOM 0 HD23 LEU A 9 -7.273 -5.291 -11.899 1.00 1.10 H new ATOM 162 N GLU A 10 -7.225 -0.438 -12.044 1.00 0.89 N ATOM 163 CA GLU A 10 -7.187 0.809 -12.787 1.00 1.05 C ATOM 164 C GLU A 10 -7.407 2.015 -11.865 1.00 0.97 C ATOM 165 O GLU A 10 -6.929 3.107 -12.166 1.00 1.11 O ATOM 166 CB GLU A 10 -8.228 0.754 -13.908 1.00 1.33 C ATOM 167 CG GLU A 10 -7.729 1.560 -15.107 1.00 1.35 C ATOM 168 CD GLU A 10 -8.877 1.883 -16.055 1.00 1.65 C ATOM 169 OE1 GLU A 10 -9.327 0.942 -16.742 1.00 2.46 O ATOM 170 OE2 GLU A 10 -9.283 3.067 -16.060 1.00 2.40 O ATOM 0 H GLU A 10 -7.943 -1.094 -12.351 1.00 0.89 H new ATOM 0 HA GLU A 10 -6.199 0.935 -13.229 1.00 1.05 H new ATOM 0 HB2 GLU A 10 -8.408 -0.280 -14.201 1.00 1.33 H new ATOM 0 HB3 GLU A 10 -9.178 1.156 -13.556 1.00 1.33 H new ATOM 0 HG2 GLU A 10 -7.265 2.484 -14.762 1.00 1.35 H new ATOM 0 HG3 GLU A 10 -6.961 0.996 -15.637 1.00 1.35 H new ATOM 177 N GLU A 11 -8.071 1.800 -10.724 1.00 0.93 N ATOM 178 CA GLU A 11 -8.287 2.798 -9.692 1.00 0.88 C ATOM 179 C GLU A 11 -7.033 2.949 -8.824 1.00 0.73 C ATOM 180 O GLU A 11 -6.518 4.047 -8.675 1.00 0.82 O ATOM 181 CB GLU A 11 -9.531 2.388 -8.886 1.00 0.92 C ATOM 182 CG GLU A 11 -10.097 3.445 -7.947 1.00 1.00 C ATOM 183 CD GLU A 11 -10.496 4.731 -8.684 1.00 1.18 C ATOM 184 OE1 GLU A 11 -9.597 5.493 -9.104 1.00 2.29 O ATOM 185 OE2 GLU A 11 -11.721 4.925 -8.843 1.00 1.69 O ATOM 0 H GLU A 11 -8.482 0.895 -10.494 1.00 0.93 H new ATOM 0 HA GLU A 11 -8.469 3.780 -10.128 1.00 0.88 H new ATOM 0 HB2 GLU A 11 -10.313 2.097 -9.587 1.00 0.92 H new ATOM 0 HB3 GLU A 11 -9.284 1.504 -8.299 1.00 0.92 H new ATOM 0 HG2 GLU A 11 -10.968 3.040 -7.432 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -9.356 3.682 -7.183 1.00 1.00 H new ATOM 192 N ILE A 12 -6.441 1.873 -8.288 1.00 0.56 N ATOM 193 CA ILE A 12 -5.232 2.049 -7.479 1.00 0.44 C ATOM 194 C ILE A 12 -4.130 2.746 -8.291 1.00 0.48 C ATOM 195 O ILE A 12 -3.388 3.580 -7.766 1.00 0.49 O ATOM 196 CB ILE A 12 -4.773 0.711 -6.876 1.00 0.45 C ATOM 197 CG1 ILE A 12 -5.924 0.184 -5.995 1.00 0.40 C ATOM 198 CG2 ILE A 12 -3.487 0.917 -6.053 1.00 0.57 C ATOM 199 CD1 ILE A 12 -6.606 -1.064 -6.561 1.00 0.61 C ATOM 0 H ILE A 12 -6.763 0.911 -8.394 1.00 0.56 H new ATOM 0 HA ILE A 12 -5.465 2.703 -6.639 1.00 0.44 H new ATOM 0 HB ILE A 12 -4.543 -0.014 -7.657 1.00 0.45 H new ATOM 0 HG12 ILE A 12 -5.536 -0.043 -5.002 1.00 0.40 H new ATOM 0 HG13 ILE A 12 -6.668 0.971 -5.874 1.00 0.40 H new ATOM 0 HG21 ILE A 12 -3.169 -0.036 -5.630 1.00 0.57 H new ATOM 0 HG22 ILE A 12 -2.700 1.307 -6.699 1.00 0.57 H new ATOM 0 HG23 ILE A 12 -3.680 1.625 -5.247 1.00 0.57 H new ATOM 0 HD11 ILE A 12 -7.405 -1.378 -5.889 1.00 0.61 H new ATOM 0 HD12 ILE A 12 -7.024 -0.837 -7.542 1.00 0.61 H new ATOM 0 HD13 ILE A 12 -5.875 -1.867 -6.656 1.00 0.61 H new ATOM 211 N LYS A 13 -4.095 2.518 -9.604 1.00 0.53 N ATOM 212 CA LYS A 13 -3.211 3.224 -10.523 1.00 0.57 C ATOM 213 C LYS A 13 -3.756 4.617 -10.895 1.00 0.70 C ATOM 214 O LYS A 13 -3.530 5.096 -12.007 1.00 1.33 O ATOM 215 CB LYS A 13 -2.983 2.347 -11.767 1.00 0.72 C ATOM 216 CG LYS A 13 -2.155 1.093 -11.437 1.00 1.12 C ATOM 217 CD LYS A 13 -2.879 -0.245 -11.587 1.00 1.24 C ATOM 218 CE LYS A 13 -1.903 -1.376 -11.928 1.00 2.41 C ATOM 219 NZ LYS A 13 -1.787 -2.363 -10.832 1.00 3.94 N ATOM 0 H LYS A 13 -4.689 1.827 -10.063 1.00 0.53 H new ATOM 0 HA LYS A 13 -2.255 3.401 -10.030 1.00 0.57 H new ATOM 0 HB2 LYS A 13 -3.945 2.048 -12.183 1.00 0.72 H new ATOM 0 HB3 LYS A 13 -2.472 2.929 -12.534 1.00 0.72 H new ATOM 0 HG2 LYS A 13 -1.276 1.082 -12.081 1.00 1.12 H new ATOM 0 HG3 LYS A 13 -1.797 1.177 -10.411 1.00 1.12 H new ATOM 0 HD2 LYS A 13 -3.403 -0.482 -10.661 1.00 1.24 H new ATOM 0 HD3 LYS A 13 -3.634 -0.166 -12.369 1.00 1.24 H new ATOM 0 HE2 LYS A 13 -2.236 -1.880 -12.835 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -0.921 -0.954 -12.140 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -1.010 -3.022 -11.039 1.00 3.94 H new ATOM 0 HZ2 LYS A 13 -1.593 -1.868 -9.938 1.00 3.94 H new ATOM 0 HZ3 LYS A 13 -2.677 -2.894 -10.747 1.00 3.94 H new ATOM 233 N LYS A 14 -4.442 5.303 -9.974 1.00 0.58 N ATOM 234 CA LYS A 14 -4.853 6.701 -10.111 1.00 0.68 C ATOM 235 C LYS A 14 -4.408 7.542 -8.920 1.00 0.76 C ATOM 236 O LYS A 14 -4.062 8.706 -9.099 1.00 1.44 O ATOM 237 CB LYS A 14 -6.386 6.822 -10.263 1.00 0.71 C ATOM 238 CG LYS A 14 -6.774 7.400 -11.626 1.00 1.31 C ATOM 239 CD LYS A 14 -6.935 6.230 -12.597 1.00 2.88 C ATOM 240 CE LYS A 14 -6.674 6.626 -14.047 1.00 4.13 C ATOM 241 NZ LYS A 14 -5.806 5.616 -14.686 1.00 6.00 N ATOM 0 H LYS A 14 -4.734 4.888 -9.089 1.00 0.58 H new ATOM 0 HA LYS A 14 -4.367 7.078 -11.011 1.00 0.68 H new ATOM 0 HB2 LYS A 14 -6.843 5.840 -10.140 1.00 0.71 H new ATOM 0 HB3 LYS A 14 -6.781 7.459 -9.471 1.00 0.71 H new ATOM 0 HG2 LYS A 14 -7.703 7.966 -11.551 1.00 1.31 H new ATOM 0 HG3 LYS A 14 -6.008 8.090 -11.981 1.00 1.31 H new ATOM 0 HD2 LYS A 14 -6.249 5.432 -12.314 1.00 2.88 H new ATOM 0 HD3 LYS A 14 -7.945 5.828 -12.511 1.00 2.88 H new ATOM 0 HE2 LYS A 14 -7.617 6.706 -14.589 1.00 4.13 H new ATOM 0 HE3 LYS A 14 -6.199 7.606 -14.087 1.00 4.13 H new ATOM 0 HZ1 LYS A 14 -5.628 5.886 -15.674 1.00 6.00 H new ATOM 0 HZ2 LYS A 14 -4.902 5.561 -14.174 1.00 6.00 H new ATOM 0 HZ3 LYS A 14 -6.275 4.688 -14.660 1.00 6.00 H new ATOM 255 N HIS A 15 -4.387 6.983 -7.710 1.00 0.49 N ATOM 256 CA HIS A 15 -4.073 7.736 -6.516 1.00 0.68 C ATOM 257 C HIS A 15 -2.709 7.235 -6.070 1.00 1.03 C ATOM 258 O HIS A 15 -2.573 6.091 -5.632 1.00 2.59 O ATOM 259 CB HIS A 15 -5.154 7.589 -5.435 1.00 1.35 C ATOM 260 CG HIS A 15 -6.436 6.933 -5.856 1.00 1.16 C ATOM 261 ND1 HIS A 15 -7.675 7.528 -5.944 1.00 1.92 N ATOM 262 CD2 HIS A 15 -6.574 5.620 -6.193 1.00 0.98 C ATOM 263 CE1 HIS A 15 -8.540 6.584 -6.353 1.00 2.13 C ATOM 264 NE2 HIS A 15 -7.913 5.413 -6.493 1.00 1.66 N ATOM 0 H HIS A 15 -4.588 5.998 -7.540 1.00 0.49 H new ATOM 0 HA HIS A 15 -4.046 8.808 -6.711 1.00 0.68 H new ATOM 0 HB2 HIS A 15 -4.734 7.017 -4.608 1.00 1.35 H new ATOM 0 HB3 HIS A 15 -5.389 8.581 -5.050 1.00 1.35 H new ATOM 0 HD1 HIS A 15 -7.895 8.502 -5.738 1.00 1.92 H new ATOM 0 HD2 HIS A 15 -5.789 4.879 -6.221 1.00 0.98 H new ATOM 0 HE1 HIS A 15 -9.591 6.749 -6.541 1.00 2.13 H new ATOM 272 N ASN A 16 -1.679 8.045 -6.311 1.00 0.85 N ATOM 273 CA ASN A 16 -0.289 7.703 -6.039 1.00 0.90 C ATOM 274 C ASN A 16 0.609 8.928 -6.211 1.00 0.95 C ATOM 275 O ASN A 16 1.606 8.893 -6.924 1.00 1.45 O ATOM 276 CB ASN A 16 0.145 6.524 -6.923 1.00 1.15 C ATOM 277 CG ASN A 16 -0.492 6.514 -8.306 1.00 1.41 C ATOM 278 OD1 ASN A 16 -0.022 7.158 -9.232 1.00 2.05 O ATOM 279 ND2 ASN A 16 -1.603 5.805 -8.462 1.00 2.30 N ATOM 0 H ASN A 16 -1.793 8.977 -6.709 1.00 0.85 H new ATOM 0 HA ASN A 16 -0.189 7.384 -5.001 1.00 0.90 H new ATOM 0 HB2 ASN A 16 1.229 6.548 -7.035 1.00 1.15 H new ATOM 0 HB3 ASN A 16 -0.103 5.592 -6.414 1.00 1.15 H new ATOM 0 HD21 ASN A 16 -2.077 5.792 -9.365 1.00 2.30 H new ATOM 0 HD22 ASN A 16 -1.982 5.273 -7.679 1.00 2.30 H new ATOM 286 N HIS A 17 0.261 10.039 -5.558 1.00 0.80 N ATOM 287 CA HIS A 17 0.971 11.300 -5.747 1.00 1.11 C ATOM 288 C HIS A 17 1.113 12.042 -4.419 1.00 1.09 C ATOM 289 O HIS A 17 0.765 13.218 -4.306 1.00 2.47 O ATOM 290 CB HIS A 17 0.277 12.124 -6.841 1.00 1.50 C ATOM 291 CG HIS A 17 -1.199 12.325 -6.619 1.00 1.43 C ATOM 292 ND1 HIS A 17 -1.760 13.312 -5.844 1.00 2.93 N ATOM 293 CD2 HIS A 17 -2.216 11.576 -7.149 1.00 1.37 C ATOM 294 CE1 HIS A 17 -3.096 13.163 -5.913 1.00 3.83 C ATOM 295 NE2 HIS A 17 -3.418 12.123 -6.701 1.00 2.77 N ATOM 0 H HIS A 17 -0.511 10.088 -4.893 1.00 0.80 H new ATOM 0 HA HIS A 17 1.988 11.110 -6.091 1.00 1.11 H new ATOM 0 HB2 HIS A 17 0.759 13.099 -6.907 1.00 1.50 H new ATOM 0 HB3 HIS A 17 0.425 11.630 -7.801 1.00 1.50 H new ATOM 0 HD2 HIS A 17 -2.107 10.718 -7.796 1.00 1.37 H new ATOM 0 HE1 HIS A 17 -3.811 13.793 -5.405 1.00 3.83 H new ATOM 0 HE2 HIS A 17 -4.358 11.797 -6.927 1.00 2.77 H new ATOM 303 N SER A 18 1.614 11.338 -3.399 1.00 1.84 N ATOM 304 CA SER A 18 1.863 11.835 -2.050 1.00 1.88 C ATOM 305 C SER A 18 0.557 11.937 -1.269 1.00 1.84 C ATOM 306 O SER A 18 0.372 11.225 -0.291 1.00 3.16 O ATOM 307 CB SER A 18 2.645 13.159 -2.068 1.00 2.04 C ATOM 308 OG SER A 18 3.717 13.106 -1.148 1.00 3.02 O ATOM 0 H SER A 18 1.869 10.356 -3.502 1.00 1.84 H new ATOM 0 HA SER A 18 2.497 11.116 -1.531 1.00 1.88 H new ATOM 0 HB2 SER A 18 3.026 13.351 -3.071 1.00 2.04 H new ATOM 0 HB3 SER A 18 1.981 13.986 -1.816 1.00 2.04 H new ATOM 0 HG SER A 18 4.209 13.953 -1.169 1.00 3.02 H new ATOM 314 N LYS A 19 -0.382 12.766 -1.732 1.00 0.98 N ATOM 315 CA LYS A 19 -1.724 12.978 -1.187 1.00 0.90 C ATOM 316 C LYS A 19 -2.696 11.836 -1.502 1.00 0.96 C ATOM 317 O LYS A 19 -3.899 12.060 -1.572 1.00 1.82 O ATOM 318 CB LYS A 19 -2.224 14.339 -1.700 1.00 1.31 C ATOM 319 CG LYS A 19 -1.980 15.415 -0.634 1.00 2.46 C ATOM 320 CD LYS A 19 -1.516 16.731 -1.262 1.00 3.25 C ATOM 321 CE LYS A 19 -2.004 17.911 -0.416 1.00 4.20 C ATOM 322 NZ LYS A 19 -2.758 18.883 -1.236 1.00 4.77 N ATOM 0 H LYS A 19 -0.212 13.346 -2.554 1.00 0.98 H new ATOM 0 HA LYS A 19 -1.673 12.984 -0.098 1.00 0.90 H new ATOM 0 HB2 LYS A 19 -1.707 14.603 -2.622 1.00 1.31 H new ATOM 0 HB3 LYS A 19 -3.287 14.281 -1.936 1.00 1.31 H new ATOM 0 HG2 LYS A 19 -2.897 15.584 -0.069 1.00 2.46 H new ATOM 0 HG3 LYS A 19 -1.229 15.064 0.074 1.00 2.46 H new ATOM 0 HD2 LYS A 19 -0.428 16.747 -1.332 1.00 3.25 H new ATOM 0 HD3 LYS A 19 -1.902 16.816 -2.278 1.00 3.25 H new ATOM 0 HE2 LYS A 19 -2.637 17.545 0.392 1.00 4.20 H new ATOM 0 HE3 LYS A 19 -1.151 18.407 0.047 1.00 4.20 H new ATOM 0 HZ1 LYS A 19 -3.076 19.671 -0.636 1.00 4.77 H new ATOM 0 HZ2 LYS A 19 -2.145 19.249 -1.992 1.00 4.77 H new ATOM 0 HZ3 LYS A 19 -3.585 18.414 -1.658 1.00 4.77 H new ATOM 336 N SER A 20 -2.170 10.624 -1.661 1.00 0.71 N ATOM 337 CA SER A 20 -2.887 9.404 -1.980 1.00 0.71 C ATOM 338 C SER A 20 -1.870 8.344 -2.399 1.00 0.73 C ATOM 339 O SER A 20 -2.053 7.705 -3.422 1.00 1.33 O ATOM 340 CB SER A 20 -3.905 9.647 -3.086 1.00 1.03 C ATOM 341 OG SER A 20 -3.292 10.291 -4.184 1.00 3.09 O ATOM 0 H SER A 20 -1.167 10.464 -1.563 1.00 0.71 H new ATOM 0 HA SER A 20 -3.438 9.060 -1.105 1.00 0.71 H new ATOM 0 HB2 SER A 20 -4.337 8.699 -3.407 1.00 1.03 H new ATOM 0 HB3 SER A 20 -4.724 10.259 -2.708 1.00 1.03 H new ATOM 0 HG SER A 20 -3.968 10.789 -4.690 1.00 3.09 H new ATOM 347 N THR A 21 -0.745 8.201 -1.704 1.00 0.62 N ATOM 348 CA THR A 21 0.160 7.083 -1.893 1.00 0.49 C ATOM 349 C THR A 21 -0.531 5.786 -1.466 1.00 0.38 C ATOM 350 O THR A 21 -0.355 5.299 -0.349 1.00 0.47 O ATOM 351 CB THR A 21 1.453 7.407 -1.143 1.00 0.53 C ATOM 352 OG1 THR A 21 2.095 8.413 -1.906 1.00 0.87 O ATOM 353 CG2 THR A 21 2.400 6.226 -0.967 1.00 0.49 C ATOM 0 H THR A 21 -0.439 8.863 -0.992 1.00 0.62 H new ATOM 0 HA THR A 21 0.427 6.926 -2.938 1.00 0.49 H new ATOM 0 HB THR A 21 1.198 7.714 -0.129 1.00 0.53 H new ATOM 0 HG1 THR A 21 3.060 8.244 -1.925 1.00 0.87 H new ATOM 0 HG21 THR A 21 3.289 6.550 -0.425 1.00 0.49 H new ATOM 0 HG22 THR A 21 1.899 5.438 -0.404 1.00 0.49 H new ATOM 0 HG23 THR A 21 2.691 5.844 -1.946 1.00 0.49 H new ATOM 361 N TRP A 22 -1.339 5.227 -2.370 1.00 0.31 N ATOM 362 CA TRP A 22 -1.822 3.870 -2.219 1.00 0.31 C ATOM 363 C TRP A 22 -0.752 2.913 -2.677 1.00 0.32 C ATOM 364 O TRP A 22 0.309 3.344 -3.114 1.00 0.43 O ATOM 365 CB TRP A 22 -3.100 3.691 -3.028 1.00 0.36 C ATOM 366 CG TRP A 22 -4.258 4.429 -2.457 1.00 0.39 C ATOM 367 CD1 TRP A 22 -4.256 5.168 -1.328 1.00 0.35 C ATOM 368 CD2 TRP A 22 -5.638 4.390 -2.890 1.00 0.52 C ATOM 369 NE1 TRP A 22 -5.500 5.715 -1.118 1.00 0.46 N ATOM 370 CE2 TRP A 22 -6.400 5.262 -2.057 1.00 0.58 C ATOM 371 CE3 TRP A 22 -6.327 3.632 -3.852 1.00 0.56 C ATOM 372 CZ2 TRP A 22 -7.775 5.438 -2.231 1.00 0.71 C ATOM 373 CZ3 TRP A 22 -7.708 3.789 -4.027 1.00 0.66 C ATOM 374 CH2 TRP A 22 -8.415 4.724 -3.255 1.00 0.76 C ATOM 0 H TRP A 22 -1.668 5.701 -3.211 1.00 0.31 H new ATOM 0 HA TRP A 22 -2.050 3.665 -1.173 1.00 0.31 H new ATOM 0 HB2 TRP A 22 -2.928 4.031 -4.049 1.00 0.36 H new ATOM 0 HB3 TRP A 22 -3.343 2.630 -3.082 1.00 0.36 H new ATOM 0 HD1 TRP A 22 -3.401 5.309 -0.683 1.00 0.35 H new ATOM 0 HE1 TRP A 22 -5.726 6.368 -0.368 1.00 0.46 H new ATOM 0 HE3 TRP A 22 -5.787 2.922 -4.462 1.00 0.56 H new ATOM 0 HZ2 TRP A 22 -8.332 6.108 -1.592 1.00 0.71 H new ATOM 0 HZ3 TRP A 22 -8.230 3.189 -4.758 1.00 0.66 H new ATOM 0 HH2 TRP A 22 -9.463 4.896 -3.451 1.00 0.76 H new ATOM 385 N LEU A 23 -1.020 1.619 -2.565 1.00 0.31 N ATOM 386 CA LEU A 23 -0.183 0.552 -3.075 1.00 0.33 C ATOM 387 C LEU A 23 -0.920 -0.758 -2.858 1.00 0.38 C ATOM 388 O LEU A 23 -1.899 -0.802 -2.109 1.00 0.44 O ATOM 389 CB LEU A 23 1.206 0.600 -2.424 1.00 0.30 C ATOM 390 CG LEU A 23 1.187 0.795 -0.900 1.00 0.33 C ATOM 391 CD1 LEU A 23 0.960 -0.525 -0.191 1.00 0.43 C ATOM 392 CD2 LEU A 23 2.546 1.336 -0.459 1.00 0.38 C ATOM 0 H LEU A 23 -1.859 1.275 -2.098 1.00 0.31 H new ATOM 0 HA LEU A 23 0.001 0.662 -4.144 1.00 0.33 H new ATOM 0 HB2 LEU A 23 1.733 -0.326 -2.653 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.777 1.412 -2.875 1.00 0.30 H new ATOM 0 HG LEU A 23 0.381 1.485 -0.648 1.00 0.33 H new ATOM 0 HD11 LEU A 23 0.950 -0.362 0.887 1.00 0.43 H new ATOM 0 HD12 LEU A 23 0.004 -0.946 -0.503 1.00 0.43 H new ATOM 0 HD13 LEU A 23 1.762 -1.218 -0.446 1.00 0.43 H new ATOM 0 HD21 LEU A 23 2.547 1.480 0.622 1.00 0.38 H new ATOM 0 HD22 LEU A 23 3.326 0.625 -0.732 1.00 0.38 H new ATOM 0 HD23 LEU A 23 2.735 2.290 -0.952 1.00 0.38 H new ATOM 404 N ILE A 24 -0.451 -1.825 -3.493 1.00 0.39 N ATOM 405 CA ILE A 24 -1.031 -3.139 -3.375 1.00 0.43 C ATOM 406 C ILE A 24 0.009 -3.946 -2.619 1.00 0.45 C ATOM 407 O ILE A 24 1.097 -4.189 -3.144 1.00 0.48 O ATOM 408 CB ILE A 24 -1.281 -3.741 -4.770 1.00 0.48 C ATOM 409 CG1 ILE A 24 -2.225 -2.864 -5.602 1.00 0.50 C ATOM 410 CG2 ILE A 24 -1.823 -5.172 -4.649 1.00 0.58 C ATOM 411 CD1 ILE A 24 -3.345 -2.225 -4.786 1.00 2.16 C ATOM 0 H ILE A 24 0.358 -1.791 -4.113 1.00 0.39 H new ATOM 0 HA ILE A 24 -1.994 -3.128 -2.865 1.00 0.43 H new ATOM 0 HB ILE A 24 -0.326 -3.777 -5.294 1.00 0.48 H new ATOM 0 HG12 ILE A 24 -1.645 -2.078 -6.085 1.00 0.50 H new ATOM 0 HG13 ILE A 24 -2.665 -3.469 -6.395 1.00 0.50 H new ATOM 0 HG21 ILE A 24 -1.994 -5.582 -5.644 1.00 0.58 H new ATOM 0 HG22 ILE A 24 -1.099 -5.792 -4.121 1.00 0.58 H new ATOM 0 HG23 ILE A 24 -2.762 -5.160 -4.096 1.00 0.58 H new ATOM 0 HD11 ILE A 24 -3.972 -1.620 -5.440 1.00 2.16 H new ATOM 0 HD12 ILE A 24 -3.950 -3.006 -4.324 1.00 2.16 H new ATOM 0 HD13 ILE A 24 -2.914 -1.593 -4.010 1.00 2.16 H new ATOM 423 N LEU A 25 -0.301 -4.313 -1.378 1.00 0.52 N ATOM 424 CA LEU A 25 0.513 -5.210 -0.590 1.00 0.55 C ATOM 425 C LEU A 25 -0.303 -6.458 -0.335 1.00 0.69 C ATOM 426 O LEU A 25 -1.150 -6.459 0.541 1.00 1.16 O ATOM 427 CB LEU A 25 0.936 -4.525 0.719 1.00 0.56 C ATOM 428 CG LEU A 25 2.195 -3.702 0.485 1.00 0.47 C ATOM 429 CD1 LEU A 25 2.411 -2.712 1.626 1.00 0.56 C ATOM 430 CD2 LEU A 25 3.396 -4.625 0.409 1.00 0.60 C ATOM 0 H LEU A 25 -1.137 -3.987 -0.893 1.00 0.52 H new ATOM 0 HA LEU A 25 1.429 -5.477 -1.116 1.00 0.55 H new ATOM 0 HB2 LEU A 25 0.133 -3.883 1.081 1.00 0.56 H new ATOM 0 HB3 LEU A 25 1.118 -5.274 1.490 1.00 0.56 H new ATOM 0 HG LEU A 25 2.078 -3.153 -0.449 1.00 0.47 H new ATOM 0 HD11 LEU A 25 3.316 -2.134 1.440 1.00 0.56 H new ATOM 0 HD12 LEU A 25 1.556 -2.038 1.690 1.00 0.56 H new ATOM 0 HD13 LEU A 25 2.515 -3.256 2.565 1.00 0.56 H new ATOM 0 HD21 LEU A 25 4.298 -4.036 0.241 1.00 0.60 H new ATOM 0 HD22 LEU A 25 3.491 -5.176 1.345 1.00 0.60 H new ATOM 0 HD23 LEU A 25 3.264 -5.327 -0.414 1.00 0.60 H new ATOM 442 N HIS A 26 -0.071 -7.528 -1.090 1.00 0.55 N ATOM 443 CA HIS A 26 -0.761 -8.800 -0.876 1.00 0.60 C ATOM 444 C HIS A 26 -2.243 -8.725 -1.264 1.00 0.65 C ATOM 445 O HIS A 26 -3.117 -8.819 -0.408 1.00 1.19 O ATOM 446 CB HIS A 26 -0.607 -9.302 0.577 1.00 0.66 C ATOM 447 CG HIS A 26 0.786 -9.196 1.136 1.00 1.07 C ATOM 448 ND1 HIS A 26 1.813 -10.089 0.931 1.00 1.82 N ATOM 449 CD2 HIS A 26 1.253 -8.202 1.956 1.00 1.32 C ATOM 450 CE1 HIS A 26 2.883 -9.630 1.607 1.00 2.35 C ATOM 451 NE2 HIS A 26 2.589 -8.487 2.246 1.00 2.05 N ATOM 0 H HIS A 26 0.595 -7.540 -1.862 1.00 0.55 H new ATOM 0 HA HIS A 26 -0.280 -9.523 -1.535 1.00 0.60 H new ATOM 0 HB2 HIS A 26 -1.284 -8.735 1.216 1.00 0.66 H new ATOM 0 HB3 HIS A 26 -0.923 -10.344 0.622 1.00 0.66 H new ATOM 0 HD2 HIS A 26 0.690 -7.352 2.313 1.00 1.32 H new ATOM 0 HE1 HIS A 26 3.847 -10.116 1.632 1.00 2.35 H new ATOM 0 HE2 HIS A 26 3.218 -7.935 2.829 1.00 2.05 H new ATOM 459 N HIS A 27 -2.534 -8.678 -2.569 1.00 0.61 N ATOM 460 CA HIS A 27 -3.872 -8.535 -3.153 1.00 0.69 C ATOM 461 C HIS A 27 -4.853 -7.704 -2.320 1.00 0.67 C ATOM 462 O HIS A 27 -6.034 -8.028 -2.197 1.00 0.81 O ATOM 463 CB HIS A 27 -4.471 -9.928 -3.395 1.00 0.82 C ATOM 464 CG HIS A 27 -3.502 -10.938 -3.947 1.00 2.07 C ATOM 465 ND1 HIS A 27 -3.209 -12.153 -3.372 1.00 2.50 N ATOM 466 CD2 HIS A 27 -2.728 -10.804 -5.068 1.00 3.82 C ATOM 467 CE1 HIS A 27 -2.287 -12.752 -4.147 1.00 3.75 C ATOM 468 NE2 HIS A 27 -1.966 -11.968 -5.188 1.00 4.63 N ATOM 0 H HIS A 27 -1.807 -8.742 -3.281 1.00 0.61 H new ATOM 0 HA HIS A 27 -3.732 -7.986 -4.084 1.00 0.69 H new ATOM 0 HB2 HIS A 27 -4.872 -10.305 -2.454 1.00 0.82 H new ATOM 0 HB3 HIS A 27 -5.310 -9.834 -4.085 1.00 0.82 H new ATOM 0 HD2 HIS A 27 -2.710 -9.955 -5.736 1.00 3.82 H new ATOM 0 HE1 HIS A 27 -1.864 -13.728 -3.958 1.00 3.75 H new ATOM 0 HE2 HIS A 27 -1.294 -12.181 -5.925 1.00 4.63 H new ATOM 476 N LYS A 28 -4.376 -6.582 -1.789 1.00 0.61 N ATOM 477 CA LYS A 28 -5.152 -5.696 -0.948 1.00 0.55 C ATOM 478 C LYS A 28 -4.733 -4.280 -1.264 1.00 0.46 C ATOM 479 O LYS A 28 -3.611 -4.079 -1.715 1.00 0.46 O ATOM 480 CB LYS A 28 -4.845 -6.014 0.511 1.00 0.63 C ATOM 481 CG LYS A 28 -5.857 -6.968 1.143 1.00 0.84 C ATOM 482 CD LYS A 28 -5.156 -8.131 1.843 1.00 1.12 C ATOM 483 CE LYS A 28 -6.008 -8.595 3.019 1.00 1.29 C ATOM 484 NZ LYS A 28 -5.324 -9.674 3.756 1.00 2.14 N ATOM 0 H LYS A 28 -3.419 -6.263 -1.938 1.00 0.61 H new ATOM 0 HA LYS A 28 -6.221 -5.819 -1.123 1.00 0.55 H new ATOM 0 HB2 LYS A 28 -3.850 -6.453 0.579 1.00 0.63 H new ATOM 0 HB3 LYS A 28 -4.824 -5.086 1.082 1.00 0.63 H new ATOM 0 HG2 LYS A 28 -6.473 -6.426 1.861 1.00 0.84 H new ATOM 0 HG3 LYS A 28 -6.527 -7.353 0.374 1.00 0.84 H new ATOM 0 HD2 LYS A 28 -5.002 -8.953 1.143 1.00 1.12 H new ATOM 0 HD3 LYS A 28 -4.171 -7.821 2.192 1.00 1.12 H new ATOM 0 HE2 LYS A 28 -6.204 -7.757 3.688 1.00 1.29 H new ATOM 0 HE3 LYS A 28 -6.974 -8.948 2.659 1.00 1.29 H new ATOM 0 HZ1 LYS A 28 -5.917 -9.979 4.554 1.00 2.14 H new ATOM 0 HZ2 LYS A 28 -5.159 -10.479 3.119 1.00 2.14 H new ATOM 0 HZ3 LYS A 28 -4.413 -9.325 4.116 1.00 2.14 H new ATOM 498 N VAL A 29 -5.595 -3.307 -1.000 1.00 0.49 N ATOM 499 CA VAL A 29 -5.342 -1.920 -1.286 1.00 0.42 C ATOM 500 C VAL A 29 -5.040 -1.290 0.056 1.00 0.38 C ATOM 501 O VAL A 29 -5.817 -1.402 1.003 1.00 0.41 O ATOM 502 CB VAL A 29 -6.616 -1.361 -1.904 1.00 0.39 C ATOM 503 CG1 VAL A 29 -6.772 0.154 -1.834 1.00 0.67 C ATOM 504 CG2 VAL A 29 -6.845 -1.866 -3.317 1.00 0.60 C ATOM 0 H VAL A 29 -6.506 -3.474 -0.572 1.00 0.49 H new ATOM 0 HA VAL A 29 -4.518 -1.737 -1.975 1.00 0.42 H new ATOM 0 HB VAL A 29 -7.401 -1.756 -1.260 1.00 0.39 H new ATOM 0 HG11 VAL A 29 -7.712 0.445 -2.302 1.00 0.67 H new ATOM 0 HG12 VAL A 29 -6.772 0.472 -0.791 1.00 0.67 H new ATOM 0 HG13 VAL A 29 -5.943 0.630 -2.358 1.00 0.67 H new ATOM 0 HG21 VAL A 29 -7.766 -1.438 -3.712 1.00 0.60 H new ATOM 0 HG22 VAL A 29 -6.008 -1.571 -3.949 1.00 0.60 H new ATOM 0 HG23 VAL A 29 -6.926 -2.953 -3.306 1.00 0.60 H new ATOM 514 N TYR A 30 -3.902 -0.623 0.129 1.00 0.44 N ATOM 515 CA TYR A 30 -3.421 0.027 1.307 1.00 0.41 C ATOM 516 C TYR A 30 -3.218 1.489 0.979 1.00 0.37 C ATOM 517 O TYR A 30 -3.077 1.858 -0.188 1.00 0.48 O ATOM 518 CB TYR A 30 -2.092 -0.620 1.633 1.00 0.50 C ATOM 519 CG TYR A 30 -2.189 -1.956 2.312 1.00 0.53 C ATOM 520 CD1 TYR A 30 -2.393 -3.127 1.569 1.00 1.95 C ATOM 521 CD2 TYR A 30 -2.081 -2.018 3.705 1.00 1.57 C ATOM 522 CE1 TYR A 30 -2.419 -4.362 2.236 1.00 1.97 C ATOM 523 CE2 TYR A 30 -2.146 -3.251 4.365 1.00 1.60 C ATOM 524 CZ TYR A 30 -2.255 -4.444 3.628 1.00 0.67 C ATOM 525 OH TYR A 30 -2.271 -5.656 4.252 1.00 0.80 O ATOM 0 H TYR A 30 -3.273 -0.523 -0.668 1.00 0.44 H new ATOM 0 HA TYR A 30 -4.109 -0.059 2.148 1.00 0.41 H new ATOM 0 HB2 TYR A 30 -1.526 -0.738 0.709 1.00 0.50 H new ATOM 0 HB3 TYR A 30 -1.523 0.055 2.272 1.00 0.50 H new ATOM 0 HD1 TYR A 30 -2.528 -3.080 0.499 1.00 1.95 H new ATOM 0 HD2 TYR A 30 -1.947 -1.110 4.274 1.00 1.57 H new ATOM 0 HE1 TYR A 30 -2.568 -5.268 1.667 1.00 1.97 H new ATOM 0 HE2 TYR A 30 -2.112 -3.286 5.444 1.00 1.60 H new ATOM 0 HH TYR A 30 -2.143 -5.530 5.215 1.00 0.80 H new ATOM 535 N ASP A 31 -3.157 2.302 2.025 1.00 0.31 N ATOM 536 CA ASP A 31 -3.005 3.729 1.934 1.00 0.28 C ATOM 537 C ASP A 31 -2.036 4.145 3.009 1.00 0.30 C ATOM 538 O ASP A 31 -2.342 4.060 4.197 1.00 0.47 O ATOM 539 CB ASP A 31 -4.344 4.419 2.145 1.00 0.36 C ATOM 540 CG ASP A 31 -4.251 5.901 1.834 1.00 0.42 C ATOM 541 OD1 ASP A 31 -3.106 6.378 1.698 1.00 1.65 O ATOM 542 OD2 ASP A 31 -5.306 6.534 1.622 1.00 1.77 O ATOM 0 H ASP A 31 -3.215 1.966 2.986 1.00 0.31 H new ATOM 0 HA ASP A 31 -2.636 4.012 0.948 1.00 0.28 H new ATOM 0 HB2 ASP A 31 -5.099 3.957 1.508 1.00 0.36 H new ATOM 0 HB3 ASP A 31 -4.669 4.281 3.176 1.00 0.36 H new ATOM 547 N LEU A 32 -0.846 4.547 2.586 1.00 0.26 N ATOM 548 CA LEU A 32 0.159 4.996 3.513 1.00 0.35 C ATOM 549 C LEU A 32 0.437 6.478 3.281 1.00 0.29 C ATOM 550 O LEU A 32 1.480 6.975 3.677 1.00 0.39 O ATOM 551 CB LEU A 32 1.416 4.124 3.455 1.00 0.53 C ATOM 552 CG LEU A 32 1.401 2.820 2.660 1.00 0.33 C ATOM 553 CD1 LEU A 32 2.814 2.237 2.755 1.00 0.38 C ATOM 554 CD2 LEU A 32 0.359 1.863 3.230 1.00 0.51 C ATOM 0 H LEU A 32 -0.562 4.568 1.607 1.00 0.26 H new ATOM 0 HA LEU A 32 -0.213 4.886 4.532 1.00 0.35 H new ATOM 0 HB2 LEU A 32 2.220 4.740 3.053 1.00 0.53 H new ATOM 0 HB3 LEU A 32 1.687 3.876 4.481 1.00 0.53 H new ATOM 0 HG LEU A 32 1.129 2.988 1.618 1.00 0.33 H new ATOM 0 HD11 LEU A 32 2.859 1.299 2.201 1.00 0.38 H new ATOM 0 HD12 LEU A 32 3.528 2.943 2.331 1.00 0.38 H new ATOM 0 HD13 LEU A 32 3.062 2.053 3.800 1.00 0.38 H new ATOM 0 HD21 LEU A 32 0.360 0.938 2.653 1.00 0.51 H new ATOM 0 HD22 LEU A 32 0.598 1.642 4.270 1.00 0.51 H new ATOM 0 HD23 LEU A 32 -0.627 2.324 3.175 1.00 0.51 H new ATOM 566 N THR A 33 -0.487 7.221 2.680 1.00 0.25 N ATOM 567 CA THR A 33 -0.400 8.658 2.528 1.00 0.23 C ATOM 568 C THR A 33 -0.115 9.325 3.872 1.00 0.27 C ATOM 569 O THR A 33 0.890 10.009 4.029 1.00 0.41 O ATOM 570 CB THR A 33 -1.757 9.109 1.980 1.00 0.36 C ATOM 571 OG1 THR A 33 -1.923 8.597 0.688 1.00 1.28 O ATOM 572 CG2 THR A 33 -1.947 10.611 1.888 1.00 0.86 C ATOM 0 H THR A 33 -1.336 6.824 2.277 1.00 0.25 H new ATOM 0 HA THR A 33 0.412 8.938 1.857 1.00 0.23 H new ATOM 0 HB THR A 33 -2.490 8.733 2.694 1.00 0.36 H new ATOM 0 HG1 THR A 33 -2.363 7.723 0.737 1.00 1.28 H new ATOM 0 HG21 THR A 33 -2.938 10.829 1.489 1.00 0.86 H new ATOM 0 HG22 THR A 33 -1.851 11.051 2.880 1.00 0.86 H new ATOM 0 HG23 THR A 33 -1.189 11.034 1.228 1.00 0.86 H new ATOM 580 N LYS A 34 -0.973 9.116 4.875 1.00 0.34 N ATOM 581 CA LYS A 34 -0.755 9.728 6.185 1.00 0.39 C ATOM 582 C LYS A 34 0.380 9.026 6.939 1.00 0.39 C ATOM 583 O LYS A 34 0.742 9.447 8.037 1.00 0.48 O ATOM 584 CB LYS A 34 -2.073 9.749 6.977 1.00 0.50 C ATOM 585 CG LYS A 34 -1.975 10.628 8.239 1.00 1.16 C ATOM 586 CD LYS A 34 -2.131 9.807 9.529 1.00 1.32 C ATOM 587 CE LYS A 34 -1.363 10.425 10.703 1.00 2.17 C ATOM 588 NZ LYS A 34 0.091 10.201 10.560 1.00 3.19 N ATOM 0 H LYS A 34 -1.810 8.538 4.806 1.00 0.34 H new ATOM 0 HA LYS A 34 -0.437 10.762 6.052 1.00 0.39 H new ATOM 0 HB2 LYS A 34 -2.874 10.121 6.338 1.00 0.50 H new ATOM 0 HB3 LYS A 34 -2.340 8.732 7.264 1.00 0.50 H new ATOM 0 HG2 LYS A 34 -1.013 11.140 8.250 1.00 1.16 H new ATOM 0 HG3 LYS A 34 -2.746 11.398 8.205 1.00 1.16 H new ATOM 0 HD2 LYS A 34 -3.188 9.734 9.786 1.00 1.32 H new ATOM 0 HD3 LYS A 34 -1.774 8.792 9.357 1.00 1.32 H new ATOM 0 HE2 LYS A 34 -1.567 11.495 10.753 1.00 2.17 H new ATOM 0 HE3 LYS A 34 -1.711 9.990 11.640 1.00 2.17 H new ATOM 0 HZ1 LYS A 34 0.603 11.068 10.819 1.00 3.19 H new ATOM 0 HZ2 LYS A 34 0.386 9.425 11.186 1.00 3.19 H new ATOM 0 HZ3 LYS A 34 0.309 9.952 9.574 1.00 3.19 H new ATOM 602 N PHE A 35 0.946 7.967 6.358 1.00 0.32 N ATOM 603 CA PHE A 35 2.055 7.216 6.905 1.00 0.31 C ATOM 604 C PHE A 35 3.364 7.581 6.209 1.00 0.28 C ATOM 605 O PHE A 35 4.431 7.152 6.638 1.00 0.30 O ATOM 606 CB PHE A 35 1.790 5.734 6.686 1.00 0.32 C ATOM 607 CG PHE A 35 2.785 4.796 7.339 1.00 0.31 C ATOM 608 CD1 PHE A 35 2.907 4.783 8.736 1.00 1.99 C ATOM 609 CD2 PHE A 35 3.582 3.929 6.568 1.00 2.16 C ATOM 610 CE1 PHE A 35 3.866 3.970 9.361 1.00 2.02 C ATOM 611 CE2 PHE A 35 4.471 3.041 7.196 1.00 2.14 C ATOM 612 CZ PHE A 35 4.659 3.114 8.585 1.00 0.33 C ATOM 0 H PHE A 35 0.626 7.603 5.461 1.00 0.32 H new ATOM 0 HA PHE A 35 2.145 7.450 7.966 1.00 0.31 H new ATOM 0 HB2 PHE A 35 0.794 5.500 7.062 1.00 0.32 H new ATOM 0 HB3 PHE A 35 1.780 5.538 5.614 1.00 0.32 H new ATOM 0 HD1 PHE A 35 2.258 5.403 9.336 1.00 1.99 H new ATOM 0 HD2 PHE A 35 3.510 3.947 5.491 1.00 2.16 H new ATOM 0 HE1 PHE A 35 3.992 4.004 10.433 1.00 2.02 H new ATOM 0 HE2 PHE A 35 5.007 2.306 6.613 1.00 2.14 H new ATOM 0 HZ PHE A 35 5.418 2.508 9.058 1.00 0.33 H new ATOM 622 N LEU A 36 3.298 8.353 5.122 1.00 0.30 N ATOM 623 CA LEU A 36 4.477 8.762 4.376 1.00 0.36 C ATOM 624 C LEU A 36 5.501 9.401 5.310 1.00 0.43 C ATOM 625 O LEU A 36 6.671 9.044 5.291 1.00 0.52 O ATOM 626 CB LEU A 36 4.087 9.717 3.237 1.00 0.37 C ATOM 627 CG LEU A 36 3.655 9.038 1.931 1.00 0.43 C ATOM 628 CD1 LEU A 36 3.496 10.100 0.846 1.00 1.00 C ATOM 629 CD2 LEU A 36 4.657 7.983 1.474 1.00 0.60 C ATOM 0 H LEU A 36 2.422 8.709 4.739 1.00 0.30 H new ATOM 0 HA LEU A 36 4.935 7.879 3.930 1.00 0.36 H new ATOM 0 HB2 LEU A 36 3.273 10.355 3.582 1.00 0.37 H new ATOM 0 HB3 LEU A 36 4.935 10.369 3.025 1.00 0.37 H new ATOM 0 HG LEU A 36 2.707 8.531 2.112 1.00 0.43 H new ATOM 0 HD11 LEU A 36 3.189 9.625 -0.086 1.00 1.00 H new ATOM 0 HD12 LEU A 36 2.739 10.822 1.152 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.446 10.612 0.696 1.00 1.00 H new ATOM 0 HD21 LEU A 36 4.310 7.529 0.546 1.00 0.60 H new ATOM 0 HD22 LEU A 36 5.628 8.451 1.308 1.00 0.60 H new ATOM 0 HD23 LEU A 36 4.751 7.214 2.241 1.00 0.60 H new ATOM 641 N GLU A 37 5.038 10.318 6.159 1.00 0.69 N ATOM 642 CA GLU A 37 5.877 11.030 7.117 1.00 0.82 C ATOM 643 C GLU A 37 5.883 10.330 8.489 1.00 0.79 C ATOM 644 O GLU A 37 6.233 10.935 9.497 1.00 1.10 O ATOM 645 CB GLU A 37 5.382 12.481 7.215 1.00 1.02 C ATOM 646 CG GLU A 37 5.675 13.279 5.933 1.00 1.22 C ATOM 647 CD GLU A 37 6.785 14.316 6.137 1.00 1.83 C ATOM 648 OE1 GLU A 37 6.588 15.204 6.998 1.00 2.77 O ATOM 649 OE2 GLU A 37 7.803 14.222 5.420 1.00 2.90 O ATOM 0 H GLU A 37 4.056 10.590 6.200 1.00 0.69 H new ATOM 0 HA GLU A 37 6.911 11.028 6.772 1.00 0.82 H new ATOM 0 HB2 GLU A 37 4.309 12.486 7.407 1.00 1.02 H new ATOM 0 HB3 GLU A 37 5.860 12.970 8.064 1.00 1.02 H new ATOM 0 HG2 GLU A 37 5.964 12.592 5.138 1.00 1.22 H new ATOM 0 HG3 GLU A 37 4.766 13.783 5.605 1.00 1.22 H new ATOM 656 N GLU A 38 5.468 9.064 8.555 1.00 0.62 N ATOM 657 CA GLU A 38 5.348 8.291 9.783 1.00 0.66 C ATOM 658 C GLU A 38 6.245 7.051 9.798 1.00 0.61 C ATOM 659 O GLU A 38 6.581 6.551 10.870 1.00 0.80 O ATOM 660 CB GLU A 38 3.891 7.862 9.905 1.00 0.88 C ATOM 661 CG GLU A 38 3.584 7.185 11.237 1.00 2.18 C ATOM 662 CD GLU A 38 2.084 6.949 11.430 1.00 2.16 C ATOM 663 OE1 GLU A 38 1.322 7.931 11.277 1.00 2.12 O ATOM 664 OE2 GLU A 38 1.707 5.790 11.706 1.00 3.29 O ATOM 0 H GLU A 38 5.198 8.535 7.726 1.00 0.62 H new ATOM 0 HA GLU A 38 5.667 8.913 10.619 1.00 0.66 H new ATOM 0 HB2 GLU A 38 3.249 8.735 9.790 1.00 0.88 H new ATOM 0 HB3 GLU A 38 3.649 7.179 9.091 1.00 0.88 H new ATOM 0 HG2 GLU A 38 4.110 6.232 11.289 1.00 2.18 H new ATOM 0 HG3 GLU A 38 3.961 7.802 12.052 1.00 2.18 H new ATOM 671 N HIS A 39 6.647 6.563 8.622 1.00 0.56 N ATOM 672 CA HIS A 39 7.552 5.430 8.470 1.00 0.58 C ATOM 673 C HIS A 39 8.867 5.775 9.199 1.00 0.76 C ATOM 674 O HIS A 39 9.158 6.948 9.429 1.00 1.46 O ATOM 675 CB HIS A 39 7.777 5.211 6.968 1.00 0.76 C ATOM 676 CG HIS A 39 7.985 3.833 6.358 1.00 0.38 C ATOM 677 ND1 HIS A 39 8.561 3.680 5.127 1.00 0.50 N ATOM 678 CD2 HIS A 39 7.690 2.570 6.822 1.00 0.39 C ATOM 679 CE1 HIS A 39 8.677 2.382 4.861 1.00 0.59 C ATOM 680 NE2 HIS A 39 8.150 1.659 5.849 1.00 0.36 N ATOM 0 H HIS A 39 6.343 6.956 7.731 1.00 0.56 H new ATOM 0 HA HIS A 39 7.148 4.513 8.899 1.00 0.58 H new ATOM 0 HB2 HIS A 39 6.919 5.650 6.459 1.00 0.76 H new ATOM 0 HB3 HIS A 39 8.648 5.806 6.695 1.00 0.76 H new ATOM 0 HD1 HIS A 39 8.854 4.439 4.512 1.00 0.50 H new ATOM 0 HD2 HIS A 39 7.200 2.325 7.753 1.00 0.39 H new ATOM 0 HE1 HIS A 39 9.133 1.972 3.972 1.00 0.59 H new ATOM 688 N PRO A 40 9.692 4.785 9.553 1.00 0.68 N ATOM 689 CA PRO A 40 10.862 5.009 10.384 1.00 0.79 C ATOM 690 C PRO A 40 11.968 5.700 9.604 1.00 1.83 C ATOM 691 O PRO A 40 12.762 6.452 10.163 1.00 3.73 O ATOM 692 CB PRO A 40 11.317 3.625 10.839 1.00 1.06 C ATOM 693 CG PRO A 40 10.677 2.656 9.849 1.00 1.90 C ATOM 694 CD PRO A 40 9.588 3.417 9.118 1.00 1.58 C ATOM 0 HA PRO A 40 10.626 5.658 11.227 1.00 0.79 H new ATOM 0 HB2 PRO A 40 12.404 3.542 10.826 1.00 1.06 H new ATOM 0 HB3 PRO A 40 10.994 3.418 11.859 1.00 1.06 H new ATOM 0 HG2 PRO A 40 11.419 2.277 9.147 1.00 1.90 H new ATOM 0 HG3 PRO A 40 10.261 1.793 10.369 1.00 1.90 H new ATOM 0 HD2 PRO A 40 9.718 3.341 8.038 1.00 1.58 H new ATOM 0 HD3 PRO A 40 8.605 3.008 9.350 1.00 1.58 H new ATOM 702 N GLY A 41 12.008 5.442 8.301 1.00 0.80 N ATOM 703 CA GLY A 41 12.981 6.047 7.428 1.00 1.67 C ATOM 704 C GLY A 41 12.672 5.807 5.959 1.00 0.68 C ATOM 705 O GLY A 41 13.573 6.003 5.150 1.00 0.80 O ATOM 0 H GLY A 41 11.363 4.807 7.830 1.00 0.80 H new ATOM 0 HA2 GLY A 41 13.018 7.120 7.618 1.00 1.67 H new ATOM 0 HA3 GLY A 41 13.969 5.648 7.658 1.00 1.67 H new ATOM 709 N GLY A 42 11.453 5.385 5.575 1.00 0.68 N ATOM 710 CA GLY A 42 11.147 5.388 4.154 1.00 1.00 C ATOM 711 C GLY A 42 9.976 6.302 3.870 1.00 0.60 C ATOM 712 O GLY A 42 9.038 6.408 4.639 1.00 1.26 O ATOM 0 H GLY A 42 10.711 5.058 6.194 1.00 0.68 H new ATOM 0 HA2 GLY A 42 12.019 5.717 3.588 1.00 1.00 H new ATOM 0 HA3 GLY A 42 10.915 4.376 3.823 1.00 1.00 H new ATOM 716 N GLU A 43 9.974 6.897 2.702 1.00 0.70 N ATOM 717 CA GLU A 43 8.883 7.731 2.249 1.00 0.46 C ATOM 718 C GLU A 43 8.779 7.558 0.742 1.00 0.42 C ATOM 719 O GLU A 43 7.761 7.151 0.187 1.00 0.39 O ATOM 720 CB GLU A 43 9.172 9.174 2.683 1.00 0.86 C ATOM 721 CG GLU A 43 10.627 9.681 2.591 1.00 1.81 C ATOM 722 CD GLU A 43 10.750 10.865 1.638 1.00 2.23 C ATOM 723 OE1 GLU A 43 10.469 12.001 2.074 1.00 2.64 O ATOM 724 OE2 GLU A 43 11.121 10.593 0.476 1.00 3.45 O ATOM 0 H GLU A 43 10.737 6.816 2.030 1.00 0.70 H new ATOM 0 HA GLU A 43 7.922 7.456 2.683 1.00 0.46 H new ATOM 0 HB2 GLU A 43 8.549 9.835 2.080 1.00 0.86 H new ATOM 0 HB3 GLU A 43 8.845 9.284 3.717 1.00 0.86 H new ATOM 0 HG2 GLU A 43 10.974 9.973 3.582 1.00 1.81 H new ATOM 0 HG3 GLU A 43 11.274 8.872 2.252 1.00 1.81 H new ATOM 731 N GLU A 44 9.929 7.754 0.121 1.00 0.49 N ATOM 732 CA GLU A 44 10.139 7.596 -1.322 1.00 0.62 C ATOM 733 C GLU A 44 9.889 6.147 -1.694 1.00 0.56 C ATOM 734 O GLU A 44 9.309 5.884 -2.736 1.00 0.59 O ATOM 735 CB GLU A 44 11.555 7.961 -1.794 1.00 0.84 C ATOM 736 CG GLU A 44 11.662 7.987 -3.337 1.00 1.23 C ATOM 737 CD GLU A 44 11.594 9.392 -3.936 1.00 2.21 C ATOM 738 OE1 GLU A 44 10.459 9.852 -4.197 1.00 3.37 O ATOM 739 OE2 GLU A 44 12.668 9.967 -4.213 1.00 3.19 O ATOM 0 H GLU A 44 10.775 8.037 0.616 1.00 0.49 H new ATOM 0 HA GLU A 44 9.447 8.284 -1.808 1.00 0.62 H new ATOM 0 HB2 GLU A 44 11.830 8.937 -1.395 1.00 0.84 H new ATOM 0 HB3 GLU A 44 12.268 7.241 -1.393 1.00 0.84 H new ATOM 0 HG2 GLU A 44 12.601 7.520 -3.635 1.00 1.23 H new ATOM 0 HG3 GLU A 44 10.858 7.383 -3.758 1.00 1.23 H new ATOM 746 N VAL A 45 10.265 5.188 -0.844 1.00 0.55 N ATOM 747 CA VAL A 45 9.932 3.809 -1.122 1.00 0.56 C ATOM 748 C VAL A 45 8.424 3.675 -1.274 1.00 0.43 C ATOM 749 O VAL A 45 7.979 2.976 -2.185 1.00 0.44 O ATOM 750 CB VAL A 45 10.479 2.881 -0.035 1.00 0.68 C ATOM 751 CG1 VAL A 45 11.963 2.581 -0.268 1.00 1.09 C ATOM 752 CG2 VAL A 45 10.258 3.418 1.380 1.00 1.04 C ATOM 0 H VAL A 45 10.787 5.345 0.018 1.00 0.55 H new ATOM 0 HA VAL A 45 10.402 3.507 -2.058 1.00 0.56 H new ATOM 0 HB VAL A 45 9.911 1.954 -0.111 1.00 0.68 H new ATOM 0 HG11 VAL A 45 12.328 1.920 0.518 1.00 1.09 H new ATOM 0 HG12 VAL A 45 12.089 2.098 -1.237 1.00 1.09 H new ATOM 0 HG13 VAL A 45 12.529 3.512 -0.251 1.00 1.09 H new ATOM 0 HG21 VAL A 45 10.668 2.714 2.104 1.00 1.04 H new ATOM 0 HG22 VAL A 45 10.758 4.381 1.486 1.00 1.04 H new ATOM 0 HG23 VAL A 45 9.190 3.542 1.559 1.00 1.04 H new ATOM 762 N LEU A 46 7.614 4.383 -0.468 1.00 0.42 N ATOM 763 CA LEU A 46 6.194 4.196 -0.700 1.00 0.36 C ATOM 764 C LEU A 46 5.765 4.869 -2.006 1.00 0.40 C ATOM 765 O LEU A 46 4.776 4.457 -2.601 1.00 0.52 O ATOM 766 CB LEU A 46 5.401 4.709 0.493 1.00 0.40 C ATOM 767 CG LEU A 46 6.101 4.481 1.848 1.00 0.41 C ATOM 768 CD1 LEU A 46 5.151 4.835 2.982 1.00 0.62 C ATOM 769 CD2 LEU A 46 6.630 3.060 2.055 1.00 0.48 C ATOM 0 H LEU A 46 7.889 5.025 0.275 1.00 0.42 H new ATOM 0 HA LEU A 46 5.986 3.131 -0.807 1.00 0.36 H new ATOM 0 HB2 LEU A 46 5.217 5.776 0.364 1.00 0.40 H new ATOM 0 HB3 LEU A 46 4.428 4.218 0.510 1.00 0.40 H new ATOM 0 HG LEU A 46 6.974 5.134 1.846 1.00 0.41 H new ATOM 0 HD11 LEU A 46 5.649 4.673 3.938 1.00 0.62 H new ATOM 0 HD12 LEU A 46 4.859 5.882 2.898 1.00 0.62 H new ATOM 0 HD13 LEU A 46 4.264 4.205 2.923 1.00 0.62 H new ATOM 0 HD21 LEU A 46 7.107 2.988 3.033 1.00 0.48 H new ATOM 0 HD22 LEU A 46 5.803 2.352 2.002 1.00 0.48 H new ATOM 0 HD23 LEU A 46 7.358 2.826 1.278 1.00 0.48 H new ATOM 781 N ARG A 47 6.512 5.871 -2.486 1.00 0.45 N ATOM 782 CA ARG A 47 6.240 6.528 -3.760 1.00 0.59 C ATOM 783 C ARG A 47 6.714 5.698 -4.953 1.00 0.51 C ATOM 784 O ARG A 47 6.095 5.762 -6.010 1.00 0.56 O ATOM 785 CB ARG A 47 6.886 7.920 -3.774 1.00 0.79 C ATOM 786 CG ARG A 47 6.353 8.746 -4.952 1.00 1.44 C ATOM 787 CD ARG A 47 6.936 10.163 -4.952 1.00 1.68 C ATOM 788 NE ARG A 47 8.151 10.252 -5.766 1.00 2.87 N ATOM 789 CZ ARG A 47 8.233 10.200 -7.097 1.00 3.24 C ATOM 790 NH1 ARG A 47 7.122 10.095 -7.831 1.00 3.44 N ATOM 791 NH2 ARG A 47 9.427 10.251 -7.684 1.00 4.57 N ATOM 0 H ARG A 47 7.324 6.247 -1.996 1.00 0.45 H new ATOM 0 HA ARG A 47 5.159 6.630 -3.859 1.00 0.59 H new ATOM 0 HB2 ARG A 47 6.676 8.435 -2.836 1.00 0.79 H new ATOM 0 HB3 ARG A 47 7.969 7.824 -3.849 1.00 0.79 H new ATOM 0 HG2 ARG A 47 6.603 8.249 -5.889 1.00 1.44 H new ATOM 0 HG3 ARG A 47 5.266 8.799 -4.899 1.00 1.44 H new ATOM 0 HD2 ARG A 47 6.192 10.862 -5.333 1.00 1.68 H new ATOM 0 HD3 ARG A 47 7.161 10.463 -3.929 1.00 1.68 H new ATOM 0 HE ARG A 47 9.030 10.366 -5.260 1.00 2.87 H new ATOM 0 HH11 ARG A 47 6.211 10.055 -7.374 1.00 3.44 H new ATOM 0 HH12 ARG A 47 7.185 10.055 -8.848 1.00 3.44 H new ATOM 0 HH21 ARG A 47 10.271 10.329 -7.117 1.00 4.57 H new ATOM 0 HH22 ARG A 47 9.497 10.212 -8.701 1.00 4.57 H new ATOM 805 N GLU A 48 7.768 4.895 -4.808 1.00 0.42 N ATOM 806 CA GLU A 48 8.342 4.135 -5.910 1.00 0.42 C ATOM 807 C GLU A 48 7.417 2.987 -6.294 1.00 0.39 C ATOM 808 O GLU A 48 7.465 2.500 -7.418 1.00 0.47 O ATOM 809 CB GLU A 48 9.730 3.585 -5.526 1.00 0.45 C ATOM 810 CG GLU A 48 10.857 4.354 -6.229 1.00 0.58 C ATOM 811 CD GLU A 48 12.124 3.502 -6.345 1.00 1.17 C ATOM 812 OE1 GLU A 48 12.056 2.474 -7.056 1.00 1.85 O ATOM 813 OE2 GLU A 48 13.142 3.886 -5.730 1.00 2.48 O ATOM 0 H GLU A 48 8.247 4.755 -3.918 1.00 0.42 H new ATOM 0 HA GLU A 48 8.456 4.802 -6.764 1.00 0.42 H new ATOM 0 HB2 GLU A 48 9.862 3.651 -4.446 1.00 0.45 H new ATOM 0 HB3 GLU A 48 9.789 2.529 -5.790 1.00 0.45 H new ATOM 0 HG2 GLU A 48 10.528 4.657 -7.223 1.00 0.58 H new ATOM 0 HG3 GLU A 48 11.079 5.266 -5.674 1.00 0.58 H new ATOM 820 N GLN A 49 6.552 2.581 -5.365 1.00 0.36 N ATOM 821 CA GLN A 49 5.595 1.512 -5.574 1.00 0.39 C ATOM 822 C GLN A 49 4.168 2.026 -5.404 1.00 0.45 C ATOM 823 O GLN A 49 3.217 1.246 -5.378 1.00 0.49 O ATOM 824 CB GLN A 49 5.894 0.403 -4.575 1.00 0.38 C ATOM 825 CG GLN A 49 7.364 -0.041 -4.576 1.00 0.44 C ATOM 826 CD GLN A 49 7.813 -0.645 -5.907 1.00 0.85 C ATOM 827 OE1 GLN A 49 7.020 -0.867 -6.812 1.00 1.60 O ATOM 828 NE2 GLN A 49 9.099 -0.939 -6.056 1.00 0.91 N ATOM 0 H GLN A 49 6.501 2.996 -4.435 1.00 0.36 H new ATOM 0 HA GLN A 49 5.682 1.127 -6.590 1.00 0.39 H new ATOM 0 HB2 GLN A 49 5.626 0.744 -3.575 1.00 0.38 H new ATOM 0 HB3 GLN A 49 5.263 -0.457 -4.799 1.00 0.38 H new ATOM 0 HG2 GLN A 49 7.995 0.816 -4.343 1.00 0.44 H new ATOM 0 HG3 GLN A 49 7.516 -0.773 -3.783 1.00 0.44 H new ATOM 0 HE21 GLN A 49 9.756 -0.752 -5.299 1.00 0.91 H new ATOM 0 HE22 GLN A 49 9.430 -1.352 -6.928 1.00 0.91 H new ATOM 837 N ALA A 50 4.012 3.341 -5.250 1.00 0.49 N ATOM 838 CA ALA A 50 2.710 3.951 -5.071 1.00 0.58 C ATOM 839 C ALA A 50 1.802 3.603 -6.243 1.00 0.64 C ATOM 840 O ALA A 50 2.226 3.645 -7.395 1.00 0.77 O ATOM 841 CB ALA A 50 2.828 5.467 -4.962 1.00 0.70 C ATOM 0 H ALA A 50 4.787 4.005 -5.247 1.00 0.49 H new ATOM 0 HA ALA A 50 2.283 3.563 -4.146 1.00 0.58 H new ATOM 0 HB1 ALA A 50 1.837 5.900 -4.828 1.00 0.70 H new ATOM 0 HB2 ALA A 50 3.454 5.723 -4.107 1.00 0.70 H new ATOM 0 HB3 ALA A 50 3.277 5.863 -5.873 1.00 0.70 H new ATOM 847 N GLY A 51 0.533 3.295 -5.963 1.00 0.60 N ATOM 848 CA GLY A 51 -0.425 2.910 -6.976 1.00 0.72 C ATOM 849 C GLY A 51 0.094 1.694 -7.734 1.00 0.77 C ATOM 850 O GLY A 51 -0.236 1.507 -8.895 1.00 0.93 O ATOM 0 H GLY A 51 0.149 3.309 -5.018 1.00 0.60 H new ATOM 0 HA2 GLY A 51 -1.385 2.681 -6.514 1.00 0.72 H new ATOM 0 HA3 GLY A 51 -0.592 3.737 -7.666 1.00 0.72 H new ATOM 854 N GLY A 52 0.939 0.877 -7.110 1.00 0.67 N ATOM 855 CA GLY A 52 1.614 -0.213 -7.775 1.00 0.71 C ATOM 856 C GLY A 52 1.867 -1.329 -6.779 1.00 0.66 C ATOM 857 O GLY A 52 1.397 -1.274 -5.643 1.00 0.60 O ATOM 0 H GLY A 52 1.170 0.961 -6.120 1.00 0.67 H new ATOM 0 HA2 GLY A 52 1.008 -0.580 -8.603 1.00 0.71 H new ATOM 0 HA3 GLY A 52 2.557 0.133 -8.199 1.00 0.71 H new ATOM 861 N ASP A 53 2.545 -2.383 -7.224 1.00 0.73 N ATOM 862 CA ASP A 53 2.802 -3.516 -6.355 1.00 0.73 C ATOM 863 C ASP A 53 4.038 -3.238 -5.523 1.00 0.74 C ATOM 864 O ASP A 53 5.139 -3.166 -6.060 1.00 1.07 O ATOM 865 CB ASP A 53 2.981 -4.811 -7.140 1.00 0.76 C ATOM 866 CG ASP A 53 2.669 -5.940 -6.164 1.00 1.77 C ATOM 867 OD1 ASP A 53 3.564 -6.302 -5.368 1.00 3.21 O ATOM 868 OD2 ASP A 53 1.484 -6.331 -6.107 1.00 2.78 O ATOM 0 H ASP A 53 2.920 -2.472 -8.168 1.00 0.73 H new ATOM 0 HA ASP A 53 1.935 -3.648 -5.707 1.00 0.73 H new ATOM 0 HB2 ASP A 53 2.311 -4.842 -8.000 1.00 0.76 H new ATOM 0 HB3 ASP A 53 3.997 -4.897 -7.524 1.00 0.76 H new ATOM 873 N ALA A 54 3.869 -3.056 -4.216 1.00 0.50 N ATOM 874 CA ALA A 54 5.013 -2.832 -3.349 1.00 0.51 C ATOM 875 C ALA A 54 5.380 -4.102 -2.593 1.00 0.53 C ATOM 876 O ALA A 54 6.328 -4.092 -1.808 1.00 0.54 O ATOM 877 CB ALA A 54 4.704 -1.685 -2.393 1.00 0.48 C ATOM 0 H ALA A 54 2.965 -3.060 -3.744 1.00 0.50 H new ATOM 0 HA ALA A 54 5.877 -2.560 -3.956 1.00 0.51 H new ATOM 0 HB1 ALA A 54 5.560 -1.514 -1.741 1.00 0.48 H new ATOM 0 HB2 ALA A 54 4.497 -0.780 -2.965 1.00 0.48 H new ATOM 0 HB3 ALA A 54 3.833 -1.939 -1.789 1.00 0.48 H new ATOM 883 N THR A 55 4.629 -5.187 -2.802 1.00 0.58 N ATOM 884 CA THR A 55 4.821 -6.439 -2.110 1.00 0.64 C ATOM 885 C THR A 55 6.236 -6.952 -2.304 1.00 0.70 C ATOM 886 O THR A 55 6.840 -7.383 -1.329 1.00 0.74 O ATOM 887 CB THR A 55 3.784 -7.460 -2.602 1.00 0.72 C ATOM 888 OG1 THR A 55 2.519 -6.874 -2.841 1.00 1.34 O ATOM 889 CG2 THR A 55 3.579 -8.518 -1.532 1.00 0.90 C ATOM 0 H THR A 55 3.860 -5.208 -3.472 1.00 0.58 H new ATOM 0 HA THR A 55 4.678 -6.283 -1.041 1.00 0.64 H new ATOM 0 HB THR A 55 4.169 -7.876 -3.533 1.00 0.72 H new ATOM 0 HG1 THR A 55 2.465 -6.581 -3.775 1.00 1.34 H new ATOM 0 HG21 THR A 55 2.844 -9.246 -1.876 1.00 0.90 H new ATOM 0 HG22 THR A 55 4.524 -9.023 -1.334 1.00 0.90 H new ATOM 0 HG23 THR A 55 3.222 -8.046 -0.617 1.00 0.90 H new ATOM 897 N GLU A 56 6.788 -6.842 -3.517 1.00 0.75 N ATOM 898 CA GLU A 56 8.174 -7.228 -3.767 1.00 0.84 C ATOM 899 C GLU A 56 9.110 -6.565 -2.764 1.00 0.74 C ATOM 900 O GLU A 56 10.001 -7.218 -2.235 1.00 0.85 O ATOM 901 CB GLU A 56 8.595 -6.852 -5.196 1.00 1.00 C ATOM 902 CG GLU A 56 8.272 -7.969 -6.192 1.00 1.53 C ATOM 903 CD GLU A 56 8.937 -7.706 -7.545 1.00 2.28 C ATOM 904 OE1 GLU A 56 8.358 -6.923 -8.330 1.00 3.22 O ATOM 905 OE2 GLU A 56 10.018 -8.291 -7.777 1.00 2.94 O ATOM 0 H GLU A 56 6.295 -6.489 -4.337 1.00 0.75 H new ATOM 0 HA GLU A 56 8.244 -8.310 -3.652 1.00 0.84 H new ATOM 0 HB2 GLU A 56 8.085 -5.937 -5.497 1.00 1.00 H new ATOM 0 HB3 GLU A 56 9.665 -6.643 -5.218 1.00 1.00 H new ATOM 0 HG2 GLU A 56 8.613 -8.925 -5.795 1.00 1.53 H new ATOM 0 HG3 GLU A 56 7.192 -8.044 -6.322 1.00 1.53 H new ATOM 912 N ASN A 57 8.892 -5.284 -2.463 1.00 0.68 N ATOM 913 CA ASN A 57 9.707 -4.598 -1.477 1.00 0.59 C ATOM 914 C ASN A 57 9.436 -5.172 -0.098 1.00 0.49 C ATOM 915 O ASN A 57 10.340 -5.699 0.523 1.00 0.53 O ATOM 916 CB ASN A 57 9.434 -3.091 -1.474 1.00 0.62 C ATOM 917 CG ASN A 57 10.680 -2.305 -1.850 1.00 1.11 C ATOM 918 OD1 ASN A 57 11.749 -2.512 -1.294 1.00 2.42 O ATOM 919 ND2 ASN A 57 10.556 -1.370 -2.780 1.00 1.72 N ATOM 0 H ASN A 57 8.163 -4.710 -2.887 1.00 0.68 H new ATOM 0 HA ASN A 57 10.754 -4.750 -1.740 1.00 0.59 H new ATOM 0 HB2 ASN A 57 8.632 -2.863 -2.176 1.00 0.62 H new ATOM 0 HB3 ASN A 57 9.091 -2.783 -0.486 1.00 0.62 H new ATOM 0 HD21 ASN A 57 11.363 -0.805 -3.046 1.00 1.72 H new ATOM 0 HD22 ASN A 57 9.654 -1.215 -3.230 1.00 1.72 H new ATOM 926 N PHE A 58 8.205 -5.057 0.404 1.00 0.46 N ATOM 927 CA PHE A 58 7.861 -5.410 1.781 1.00 0.45 C ATOM 928 C PHE A 58 8.375 -6.803 2.163 1.00 0.46 C ATOM 929 O PHE A 58 8.798 -7.019 3.300 1.00 0.43 O ATOM 930 CB PHE A 58 6.342 -5.315 1.915 1.00 0.55 C ATOM 931 CG PHE A 58 5.811 -5.358 3.332 1.00 0.67 C ATOM 932 CD1 PHE A 58 5.529 -6.588 3.955 1.00 1.62 C ATOM 933 CD2 PHE A 58 5.554 -4.157 4.016 1.00 1.80 C ATOM 934 CE1 PHE A 58 4.992 -6.612 5.253 1.00 1.75 C ATOM 935 CE2 PHE A 58 5.016 -4.179 5.312 1.00 1.96 C ATOM 936 CZ PHE A 58 4.733 -5.405 5.930 1.00 1.23 C ATOM 0 H PHE A 58 7.413 -4.713 -0.139 1.00 0.46 H new ATOM 0 HA PHE A 58 8.345 -4.719 2.471 1.00 0.45 H new ATOM 0 HB2 PHE A 58 6.011 -4.387 1.449 1.00 0.55 H new ATOM 0 HB3 PHE A 58 5.893 -6.133 1.352 1.00 0.55 H new ATOM 0 HD1 PHE A 58 5.726 -7.514 3.435 1.00 1.62 H new ATOM 0 HD2 PHE A 58 5.772 -3.212 3.541 1.00 1.80 H new ATOM 0 HE1 PHE A 58 4.778 -7.556 5.731 1.00 1.75 H new ATOM 0 HE2 PHE A 58 4.820 -3.253 5.832 1.00 1.96 H new ATOM 0 HZ PHE A 58 4.316 -5.424 6.926 1.00 1.23 H new ATOM 946 N GLU A 59 8.369 -7.725 1.201 1.00 0.57 N ATOM 947 CA GLU A 59 8.866 -9.077 1.368 1.00 0.69 C ATOM 948 C GLU A 59 10.393 -9.119 1.324 1.00 0.67 C ATOM 949 O GLU A 59 11.000 -9.680 2.231 1.00 0.72 O ATOM 950 CB GLU A 59 8.326 -9.951 0.218 1.00 0.94 C ATOM 951 CG GLU A 59 7.047 -10.707 0.580 1.00 1.20 C ATOM 952 CD GLU A 59 7.377 -12.013 1.303 1.00 1.41 C ATOM 953 OE1 GLU A 59 7.745 -12.980 0.599 1.00 2.40 O ATOM 954 OE2 GLU A 59 7.241 -12.030 2.547 1.00 1.75 O ATOM 0 H GLU A 59 8.009 -7.542 0.265 1.00 0.57 H new ATOM 0 HA GLU A 59 8.532 -9.446 2.338 1.00 0.69 H new ATOM 0 HB2 GLU A 59 8.133 -9.319 -0.649 1.00 0.94 H new ATOM 0 HB3 GLU A 59 9.093 -10.668 -0.075 1.00 0.94 H new ATOM 0 HG2 GLU A 59 6.417 -10.083 1.215 1.00 1.20 H new ATOM 0 HG3 GLU A 59 6.477 -10.920 -0.324 1.00 1.20 H new ATOM 961 N ASP A 60 11.022 -8.552 0.284 1.00 0.69 N ATOM 962 CA ASP A 60 12.482 -8.570 0.121 1.00 0.74 C ATOM 963 C ASP A 60 13.162 -7.937 1.338 1.00 0.73 C ATOM 964 O ASP A 60 14.225 -8.372 1.773 1.00 0.91 O ATOM 965 CB ASP A 60 12.869 -7.818 -1.163 1.00 0.84 C ATOM 966 CG ASP A 60 14.342 -8.001 -1.530 1.00 1.32 C ATOM 967 OD1 ASP A 60 15.164 -7.170 -1.083 1.00 2.63 O ATOM 968 OD2 ASP A 60 14.622 -8.951 -2.297 1.00 1.71 O ATOM 0 H ASP A 60 10.532 -8.068 -0.468 1.00 0.69 H new ATOM 0 HA ASP A 60 12.819 -9.604 0.041 1.00 0.74 H new ATOM 0 HB2 ASP A 60 12.247 -8.169 -1.987 1.00 0.84 H new ATOM 0 HB3 ASP A 60 12.659 -6.756 -1.035 1.00 0.84 H new ATOM 973 N VAL A 61 12.490 -6.948 1.931 1.00 0.60 N ATOM 974 CA VAL A 61 12.857 -6.307 3.177 1.00 0.71 C ATOM 975 C VAL A 61 12.800 -7.330 4.307 1.00 0.57 C ATOM 976 O VAL A 61 13.781 -7.490 5.032 1.00 0.81 O ATOM 977 CB VAL A 61 11.934 -5.098 3.447 1.00 0.99 C ATOM 978 CG1 VAL A 61 12.130 -4.576 4.875 1.00 1.61 C ATOM 979 CG2 VAL A 61 12.206 -3.950 2.460 1.00 2.01 C ATOM 0 H VAL A 61 11.636 -6.560 1.529 1.00 0.60 H new ATOM 0 HA VAL A 61 13.877 -5.927 3.113 1.00 0.71 H new ATOM 0 HB VAL A 61 10.909 -5.444 3.316 1.00 0.99 H new ATOM 0 HG11 VAL A 61 11.471 -3.725 5.045 1.00 1.61 H new ATOM 0 HG12 VAL A 61 11.893 -5.366 5.587 1.00 1.61 H new ATOM 0 HG13 VAL A 61 13.166 -4.265 5.010 1.00 1.61 H new ATOM 0 HG21 VAL A 61 11.539 -3.116 2.679 1.00 2.01 H new ATOM 0 HG22 VAL A 61 13.241 -3.623 2.559 1.00 2.01 H new ATOM 0 HG23 VAL A 61 12.031 -4.297 1.442 1.00 2.01 H new ATOM 989 N GLY A 62 11.660 -8.002 4.497 1.00 0.41 N ATOM 990 CA GLY A 62 11.538 -8.957 5.585 1.00 0.61 C ATOM 991 C GLY A 62 10.992 -8.261 6.826 1.00 0.78 C ATOM 992 O GLY A 62 11.430 -8.569 7.932 1.00 1.75 O ATOM 0 H GLY A 62 10.826 -7.900 3.919 1.00 0.41 H new ATOM 0 HA2 GLY A 62 10.875 -9.772 5.293 1.00 0.61 H new ATOM 0 HA3 GLY A 62 12.510 -9.399 5.803 1.00 0.61 H new ATOM 996 N HIS A 63 10.064 -7.310 6.622 1.00 0.40 N ATOM 997 CA HIS A 63 9.520 -6.401 7.629 1.00 0.40 C ATOM 998 C HIS A 63 9.185 -7.087 8.952 1.00 0.55 C ATOM 999 O HIS A 63 8.839 -8.269 9.000 1.00 1.18 O ATOM 1000 CB HIS A 63 8.240 -5.738 7.090 1.00 0.43 C ATOM 1001 CG HIS A 63 8.437 -4.449 6.342 1.00 0.38 C ATOM 1002 ND1 HIS A 63 8.789 -4.344 5.026 1.00 0.39 N ATOM 1003 CD2 HIS A 63 8.183 -3.191 6.823 1.00 0.35 C ATOM 1004 CE1 HIS A 63 8.764 -3.037 4.707 1.00 0.36 C ATOM 1005 NE2 HIS A 63 8.382 -2.295 5.766 1.00 0.33 N ATOM 0 H HIS A 63 9.656 -7.152 5.700 1.00 0.40 H new ATOM 0 HA HIS A 63 10.300 -5.666 7.828 1.00 0.40 H new ATOM 0 HB2 HIS A 63 7.737 -6.445 6.431 1.00 0.43 H new ATOM 0 HB3 HIS A 63 7.569 -5.551 7.929 1.00 0.43 H new ATOM 0 HD1 HIS A 63 9.027 -5.114 4.401 1.00 0.39 H new ATOM 0 HD2 HIS A 63 7.885 -2.938 7.830 1.00 0.35 H new ATOM 0 HE1 HIS A 63 9.015 -2.637 3.736 1.00 0.36 H new ATOM 1013 N SER A 64 9.211 -6.297 10.026 1.00 0.50 N ATOM 1014 CA SER A 64 8.857 -6.745 11.355 1.00 0.60 C ATOM 1015 C SER A 64 7.358 -7.037 11.468 1.00 0.52 C ATOM 1016 O SER A 64 6.546 -6.724 10.592 1.00 0.47 O ATOM 1017 CB SER A 64 9.281 -5.659 12.344 1.00 0.77 C ATOM 1018 OG SER A 64 8.741 -4.431 11.921 1.00 2.24 O ATOM 0 H SER A 64 9.484 -5.315 9.987 1.00 0.50 H new ATOM 0 HA SER A 64 9.372 -7.680 11.578 1.00 0.60 H new ATOM 0 HB2 SER A 64 8.929 -5.902 13.346 1.00 0.77 H new ATOM 0 HB3 SER A 64 10.368 -5.597 12.395 1.00 0.77 H new ATOM 0 HG SER A 64 8.479 -3.902 12.703 1.00 2.24 H new ATOM 1024 N THR A 65 6.966 -7.664 12.575 1.00 0.65 N ATOM 1025 CA THR A 65 5.582 -7.990 12.814 1.00 0.71 C ATOM 1026 C THR A 65 4.795 -6.734 13.191 1.00 0.65 C ATOM 1027 O THR A 65 3.638 -6.605 12.802 1.00 0.66 O ATOM 1028 CB THR A 65 5.538 -9.049 13.912 1.00 0.89 C ATOM 1029 OG1 THR A 65 6.256 -10.188 13.476 1.00 1.07 O ATOM 1030 CG2 THR A 65 4.117 -9.492 14.220 1.00 1.00 C ATOM 0 H THR A 65 7.601 -7.954 13.319 1.00 0.65 H new ATOM 0 HA THR A 65 5.113 -8.388 11.914 1.00 0.71 H new ATOM 0 HB THR A 65 5.972 -8.611 14.811 1.00 0.89 H new ATOM 0 HG1 THR A 65 6.236 -10.875 14.175 1.00 1.07 H new ATOM 0 HG21 THR A 65 4.133 -10.246 15.007 1.00 1.00 H new ATOM 0 HG22 THR A 65 3.532 -8.634 14.552 1.00 1.00 H new ATOM 0 HG23 THR A 65 3.665 -9.914 13.322 1.00 1.00 H new ATOM 1038 N ASP A 66 5.400 -5.781 13.907 1.00 0.67 N ATOM 1039 CA ASP A 66 4.694 -4.551 14.255 1.00 0.72 C ATOM 1040 C ASP A 66 4.293 -3.816 12.983 1.00 0.60 C ATOM 1041 O ASP A 66 3.173 -3.333 12.851 1.00 0.71 O ATOM 1042 CB ASP A 66 5.566 -3.661 15.140 1.00 0.90 C ATOM 1043 CG ASP A 66 6.807 -3.155 14.421 1.00 2.81 C ATOM 1044 OD1 ASP A 66 7.757 -3.963 14.340 1.00 4.10 O ATOM 1045 OD2 ASP A 66 6.774 -2.021 13.902 1.00 4.21 O ATOM 0 H ASP A 66 6.359 -5.838 14.250 1.00 0.67 H new ATOM 0 HA ASP A 66 3.795 -4.804 14.817 1.00 0.72 H new ATOM 0 HB2 ASP A 66 4.978 -2.810 15.484 1.00 0.90 H new ATOM 0 HB3 ASP A 66 5.867 -4.220 16.026 1.00 0.90 H new ATOM 1050 N ALA A 67 5.177 -3.827 11.994 1.00 0.52 N ATOM 1051 CA ALA A 67 4.884 -3.272 10.687 1.00 0.44 C ATOM 1052 C ALA A 67 3.697 -4.007 10.071 1.00 0.40 C ATOM 1053 O ALA A 67 2.719 -3.390 9.655 1.00 0.52 O ATOM 1054 CB ALA A 67 6.109 -3.389 9.784 1.00 0.52 C ATOM 0 H ALA A 67 6.114 -4.221 12.079 1.00 0.52 H new ATOM 0 HA ALA A 67 4.630 -2.217 10.792 1.00 0.44 H new ATOM 0 HB1 ALA A 67 5.880 -2.970 8.804 1.00 0.52 H new ATOM 0 HB2 ALA A 67 6.941 -2.842 10.227 1.00 0.52 H new ATOM 0 HB3 ALA A 67 6.382 -4.439 9.675 1.00 0.52 H new ATOM 1060 N ARG A 68 3.746 -5.344 10.072 1.00 0.40 N ATOM 1061 CA ARG A 68 2.624 -6.154 9.607 1.00 0.46 C ATOM 1062 C ARG A 68 1.325 -5.753 10.347 1.00 0.55 C ATOM 1063 O ARG A 68 0.245 -5.910 9.776 1.00 0.64 O ATOM 1064 CB ARG A 68 2.920 -7.639 9.788 1.00 0.64 C ATOM 1065 CG ARG A 68 3.619 -8.148 8.521 1.00 1.37 C ATOM 1066 CD ARG A 68 4.722 -9.155 8.833 1.00 2.22 C ATOM 1067 NE ARG A 68 4.590 -10.361 8.011 1.00 2.68 N ATOM 1068 CZ ARG A 68 5.546 -11.285 7.879 1.00 3.64 C ATOM 1069 NH1 ARG A 68 6.731 -11.102 8.461 1.00 4.55 N ATOM 1070 NH2 ARG A 68 5.304 -12.387 7.169 1.00 4.06 N ATOM 0 H ARG A 68 4.551 -5.883 10.390 1.00 0.40 H new ATOM 0 HA ARG A 68 2.480 -5.968 8.543 1.00 0.46 H new ATOM 0 HB2 ARG A 68 3.554 -7.796 10.661 1.00 0.64 H new ATOM 0 HB3 ARG A 68 1.997 -8.192 9.961 1.00 0.64 H new ATOM 0 HG2 ARG A 68 2.883 -8.611 7.864 1.00 1.37 H new ATOM 0 HG3 ARG A 68 4.044 -7.303 7.979 1.00 1.37 H new ATOM 0 HD2 ARG A 68 5.696 -8.697 8.657 1.00 2.22 H new ATOM 0 HD3 ARG A 68 4.683 -9.425 9.888 1.00 2.22 H new ATOM 0 HE ARG A 68 3.714 -10.504 7.508 1.00 2.68 H new ATOM 0 HH11 ARG A 68 6.907 -10.258 9.006 1.00 4.55 H new ATOM 0 HH12 ARG A 68 7.462 -11.806 8.362 1.00 4.55 H new ATOM 0 HH21 ARG A 68 4.393 -12.521 6.730 1.00 4.06 H new ATOM 0 HH22 ARG A 68 6.030 -13.096 7.065 1.00 4.06 H new ATOM 1084 N GLU A 69 1.393 -5.196 11.565 1.00 0.54 N ATOM 1085 CA GLU A 69 0.218 -4.746 12.319 1.00 0.64 C ATOM 1086 C GLU A 69 -0.289 -3.367 11.906 1.00 0.59 C ATOM 1087 O GLU A 69 -1.495 -3.187 11.777 1.00 0.62 O ATOM 1088 CB GLU A 69 0.494 -4.743 13.833 1.00 0.84 C ATOM 1089 CG GLU A 69 0.061 -6.061 14.475 1.00 1.04 C ATOM 1090 CD GLU A 69 -0.887 -5.835 15.656 1.00 1.41 C ATOM 1091 OE1 GLU A 69 -1.980 -5.277 15.410 1.00 2.16 O ATOM 1092 OE2 GLU A 69 -0.515 -6.239 16.779 1.00 2.07 O ATOM 0 H GLU A 69 2.274 -5.045 12.057 1.00 0.54 H new ATOM 0 HA GLU A 69 -0.563 -5.467 12.079 1.00 0.64 H new ATOM 0 HB2 GLU A 69 1.557 -4.580 14.011 1.00 0.84 H new ATOM 0 HB3 GLU A 69 -0.038 -3.915 14.301 1.00 0.84 H new ATOM 0 HG2 GLU A 69 -0.431 -6.684 13.728 1.00 1.04 H new ATOM 0 HG3 GLU A 69 0.942 -6.606 14.815 1.00 1.04 H new ATOM 1099 N LEU A 70 0.574 -2.379 11.677 1.00 0.57 N ATOM 1100 CA LEU A 70 0.140 -1.079 11.205 1.00 0.64 C ATOM 1101 C LEU A 70 -0.575 -1.197 9.852 1.00 0.56 C ATOM 1102 O LEU A 70 -1.534 -0.472 9.600 1.00 0.64 O ATOM 1103 CB LEU A 70 1.377 -0.197 11.112 1.00 0.78 C ATOM 1104 CG LEU A 70 1.928 0.223 12.480 1.00 0.81 C ATOM 1105 CD1 LEU A 70 3.429 -0.065 12.617 1.00 2.17 C ATOM 1106 CD2 LEU A 70 1.732 1.714 12.700 1.00 1.04 C ATOM 0 H LEU A 70 1.581 -2.462 11.814 1.00 0.57 H new ATOM 0 HA LEU A 70 -0.581 -0.639 11.894 1.00 0.64 H new ATOM 0 HB2 LEU A 70 2.154 -0.730 10.563 1.00 0.78 H new ATOM 0 HB3 LEU A 70 1.135 0.696 10.536 1.00 0.78 H new ATOM 0 HG LEU A 70 1.378 -0.360 13.219 1.00 0.81 H new ATOM 0 HD11 LEU A 70 3.771 0.250 13.603 1.00 2.17 H new ATOM 0 HD12 LEU A 70 3.607 -1.133 12.495 1.00 2.17 H new ATOM 0 HD13 LEU A 70 3.976 0.484 11.850 1.00 2.17 H new ATOM 0 HD21 LEU A 70 2.129 1.993 13.676 1.00 1.04 H new ATOM 0 HD22 LEU A 70 2.257 2.269 11.922 1.00 1.04 H new ATOM 0 HD23 LEU A 70 0.669 1.951 12.660 1.00 1.04 H new ATOM 1118 N SER A 71 -0.211 -2.177 9.017 1.00 0.50 N ATOM 1119 CA SER A 71 -0.974 -2.509 7.811 1.00 0.58 C ATOM 1120 C SER A 71 -2.466 -2.702 8.088 1.00 0.58 C ATOM 1121 O SER A 71 -3.299 -2.388 7.241 1.00 0.75 O ATOM 1122 CB SER A 71 -0.373 -3.733 7.103 1.00 0.66 C ATOM 1123 OG SER A 71 0.871 -4.126 7.615 1.00 1.45 O ATOM 0 H SER A 71 0.615 -2.758 9.158 1.00 0.50 H new ATOM 0 HA SER A 71 -0.896 -1.652 7.142 1.00 0.58 H new ATOM 0 HB2 SER A 71 -1.070 -4.567 7.185 1.00 0.66 H new ATOM 0 HB3 SER A 71 -0.265 -3.511 6.041 1.00 0.66 H new ATOM 0 HG SER A 71 1.195 -4.909 7.122 1.00 1.45 H new ATOM 1129 N LYS A 72 -2.837 -3.166 9.276 1.00 0.51 N ATOM 1130 CA LYS A 72 -4.232 -3.358 9.635 1.00 0.60 C ATOM 1131 C LYS A 72 -5.009 -2.039 9.611 1.00 0.58 C ATOM 1132 O LYS A 72 -6.189 -2.045 9.279 1.00 0.75 O ATOM 1133 CB LYS A 72 -4.305 -4.015 11.022 1.00 0.70 C ATOM 1134 CG LYS A 72 -5.602 -4.814 11.169 1.00 0.95 C ATOM 1135 CD LYS A 72 -5.379 -6.251 10.680 1.00 1.91 C ATOM 1136 CE LYS A 72 -6.653 -6.790 10.025 1.00 2.31 C ATOM 1137 NZ LYS A 72 -6.339 -7.691 8.897 1.00 3.85 N ATOM 0 H LYS A 72 -2.179 -3.418 10.014 1.00 0.51 H new ATOM 0 HA LYS A 72 -4.699 -4.011 8.897 1.00 0.60 H new ATOM 0 HB2 LYS A 72 -3.448 -4.673 11.165 1.00 0.70 H new ATOM 0 HB3 LYS A 72 -4.252 -3.250 11.797 1.00 0.70 H new ATOM 0 HG2 LYS A 72 -5.922 -4.819 12.211 1.00 0.95 H new ATOM 0 HG3 LYS A 72 -6.399 -4.343 10.593 1.00 0.95 H new ATOM 0 HD2 LYS A 72 -4.556 -6.276 9.966 1.00 1.91 H new ATOM 0 HD3 LYS A 72 -5.094 -6.888 11.518 1.00 1.91 H new ATOM 0 HE2 LYS A 72 -7.246 -7.325 10.766 1.00 2.31 H new ATOM 0 HE3 LYS A 72 -7.261 -5.958 9.670 1.00 2.31 H new ATOM 0 HZ1 LYS A 72 -7.223 -8.039 8.474 1.00 3.85 H new ATOM 0 HZ2 LYS A 72 -5.793 -7.172 8.180 1.00 3.85 H new ATOM 0 HZ3 LYS A 72 -5.779 -8.497 9.242 1.00 3.85 H new ATOM 1151 N THR A 73 -4.364 -0.915 9.935 1.00 0.50 N ATOM 1152 CA THR A 73 -4.993 0.404 9.920 1.00 0.56 C ATOM 1153 C THR A 73 -4.767 1.118 8.577 1.00 0.55 C ATOM 1154 O THR A 73 -5.313 2.192 8.347 1.00 0.77 O ATOM 1155 CB THR A 73 -4.526 1.197 11.160 1.00 0.64 C ATOM 1156 OG1 THR A 73 -5.577 1.981 11.679 1.00 1.41 O ATOM 1157 CG2 THR A 73 -3.331 2.119 10.932 1.00 1.15 C ATOM 0 H THR A 73 -3.384 -0.897 10.217 1.00 0.50 H new ATOM 0 HA THR A 73 -6.077 0.311 9.994 1.00 0.56 H new ATOM 0 HB THR A 73 -4.209 0.423 11.859 1.00 0.64 H new ATOM 0 HG1 THR A 73 -5.260 2.474 12.465 1.00 1.41 H new ATOM 0 HG21 THR A 73 -3.082 2.629 11.863 1.00 1.15 H new ATOM 0 HG22 THR A 73 -2.475 1.530 10.601 1.00 1.15 H new ATOM 0 HG23 THR A 73 -3.581 2.857 10.169 1.00 1.15 H new ATOM 1165 N PHE A 74 -3.972 0.537 7.672 1.00 0.45 N ATOM 1166 CA PHE A 74 -3.649 1.160 6.389 1.00 0.43 C ATOM 1167 C PHE A 74 -4.465 0.563 5.255 1.00 0.42 C ATOM 1168 O PHE A 74 -4.664 1.217 4.236 1.00 0.44 O ATOM 1169 CB PHE A 74 -2.189 0.893 6.053 1.00 0.51 C ATOM 1170 CG PHE A 74 -1.144 1.509 6.927 1.00 0.55 C ATOM 1171 CD1 PHE A 74 -1.462 2.306 8.039 1.00 1.78 C ATOM 1172 CD2 PHE A 74 0.190 1.229 6.613 1.00 2.12 C ATOM 1173 CE1 PHE A 74 -0.444 2.740 8.893 1.00 1.78 C ATOM 1174 CE2 PHE A 74 1.210 1.735 7.413 1.00 2.21 C ATOM 1175 CZ PHE A 74 0.883 2.423 8.587 1.00 0.84 C ATOM 0 H PHE A 74 -3.537 -0.375 7.810 1.00 0.45 H new ATOM 0 HA PHE A 74 -3.865 2.224 6.485 1.00 0.43 H new ATOM 0 HB2 PHE A 74 -2.037 -0.186 6.060 1.00 0.51 H new ATOM 0 HB3 PHE A 74 -2.014 1.233 5.032 1.00 0.51 H new ATOM 0 HD1 PHE A 74 -2.488 2.582 8.233 1.00 1.78 H new ATOM 0 HD2 PHE A 74 0.428 0.622 5.752 1.00 2.12 H new ATOM 0 HE1 PHE A 74 -0.679 3.313 9.778 1.00 1.78 H new ATOM 0 HE2 PHE A 74 2.243 1.598 7.131 1.00 2.21 H new ATOM 0 HZ PHE A 74 1.669 2.714 9.268 1.00 0.84 H new ATOM 1185 N ILE A 75 -4.893 -0.692 5.385 1.00 0.48 N ATOM 1186 CA ILE A 75 -5.773 -1.306 4.416 1.00 0.47 C ATOM 1187 C ILE A 75 -7.002 -0.412 4.281 1.00 0.48 C ATOM 1188 O ILE A 75 -7.747 -0.186 5.231 1.00 0.60 O ATOM 1189 CB ILE A 75 -6.053 -2.774 4.809 1.00 0.52 C ATOM 1190 CG1 ILE A 75 -5.587 -3.701 3.682 1.00 0.76 C ATOM 1191 CG2 ILE A 75 -7.522 -3.089 5.117 1.00 0.70 C ATOM 1192 CD1 ILE A 75 -5.290 -5.106 4.216 1.00 1.03 C ATOM 0 H ILE A 75 -4.637 -1.301 6.162 1.00 0.48 H new ATOM 0 HA ILE A 75 -5.325 -1.378 3.425 1.00 0.47 H new ATOM 0 HB ILE A 75 -5.499 -2.937 5.734 1.00 0.52 H new ATOM 0 HG12 ILE A 75 -6.355 -3.756 2.910 1.00 0.76 H new ATOM 0 HG13 ILE A 75 -4.693 -3.289 3.214 1.00 0.76 H new ATOM 0 HG21 ILE A 75 -7.620 -4.142 5.383 1.00 0.70 H new ATOM 0 HG22 ILE A 75 -7.860 -2.472 5.949 1.00 0.70 H new ATOM 0 HG23 ILE A 75 -8.131 -2.878 4.238 1.00 0.70 H new ATOM 0 HD11 ILE A 75 -4.961 -5.745 3.396 1.00 1.03 H new ATOM 0 HD12 ILE A 75 -4.505 -5.050 4.970 1.00 1.03 H new ATOM 0 HD13 ILE A 75 -6.192 -5.524 4.662 1.00 1.03 H new ATOM 1204 N ILE A 76 -7.185 0.126 3.084 1.00 0.43 N ATOM 1205 CA ILE A 76 -8.328 0.937 2.720 1.00 0.46 C ATOM 1206 C ILE A 76 -9.216 0.161 1.765 1.00 0.53 C ATOM 1207 O ILE A 76 -10.046 0.769 1.114 1.00 0.84 O ATOM 1208 CB ILE A 76 -7.875 2.255 2.085 1.00 0.48 C ATOM 1209 CG1 ILE A 76 -6.774 1.991 1.050 1.00 0.67 C ATOM 1210 CG2 ILE A 76 -7.441 3.226 3.184 1.00 0.41 C ATOM 1211 CD1 ILE A 76 -6.825 3.009 -0.075 1.00 1.62 C ATOM 0 H ILE A 76 -6.520 0.004 2.320 1.00 0.43 H new ATOM 0 HA ILE A 76 -8.895 1.176 3.619 1.00 0.46 H new ATOM 0 HB ILE A 76 -8.701 2.721 1.548 1.00 0.48 H new ATOM 0 HG12 ILE A 76 -5.798 2.029 1.535 1.00 0.67 H new ATOM 0 HG13 ILE A 76 -6.888 0.987 0.641 1.00 0.67 H new ATOM 0 HG21 ILE A 76 -7.118 4.165 2.734 1.00 0.41 H new ATOM 0 HG22 ILE A 76 -8.279 3.415 3.855 1.00 0.41 H new ATOM 0 HG23 ILE A 76 -6.616 2.792 3.748 1.00 0.41 H new ATOM 0 HD11 ILE A 76 -6.033 2.797 -0.794 1.00 1.62 H new ATOM 0 HD12 ILE A 76 -7.793 2.952 -0.574 1.00 1.62 H new ATOM 0 HD13 ILE A 76 -6.686 4.010 0.333 1.00 1.62 H new ATOM 1223 N GLY A 77 -9.049 -1.151 1.630 1.00 0.44 N ATOM 1224 CA GLY A 77 -9.912 -1.962 0.789 1.00 0.49 C ATOM 1225 C GLY A 77 -9.157 -3.213 0.381 1.00 0.41 C ATOM 1226 O GLY A 77 -8.036 -3.437 0.837 1.00 0.39 O ATOM 0 H GLY A 77 -8.313 -1.677 2.101 1.00 0.44 H new ATOM 0 HA2 GLY A 77 -10.822 -2.228 1.327 1.00 0.49 H new ATOM 0 HA3 GLY A 77 -10.216 -1.400 -0.094 1.00 0.49 H new ATOM 1230 N GLU A 78 -9.741 -4.024 -0.499 1.00 0.50 N ATOM 1231 CA GLU A 78 -9.049 -5.174 -1.050 1.00 0.55 C ATOM 1232 C GLU A 78 -9.149 -5.094 -2.566 1.00 0.61 C ATOM 1233 O GLU A 78 -10.016 -4.383 -3.080 1.00 0.66 O ATOM 1234 CB GLU A 78 -9.580 -6.483 -0.443 1.00 0.60 C ATOM 1235 CG GLU A 78 -9.399 -6.409 1.083 1.00 2.04 C ATOM 1236 CD GLU A 78 -9.244 -7.753 1.809 1.00 2.48 C ATOM 1237 OE1 GLU A 78 -8.585 -8.664 1.257 1.00 2.75 O ATOM 1238 OE2 GLU A 78 -9.678 -7.825 2.980 1.00 3.47 O ATOM 0 H GLU A 78 -10.693 -3.901 -0.843 1.00 0.50 H new ATOM 0 HA GLU A 78 -7.992 -5.167 -0.786 1.00 0.55 H new ATOM 0 HB2 GLU A 78 -10.631 -6.621 -0.696 1.00 0.60 H new ATOM 0 HB3 GLU A 78 -9.040 -7.338 -0.850 1.00 0.60 H new ATOM 0 HG2 GLU A 78 -8.520 -5.801 1.295 1.00 2.04 H new ATOM 0 HG3 GLU A 78 -10.258 -5.887 1.506 1.00 2.04 H new ATOM 1245 N LEU A 79 -8.240 -5.759 -3.286 1.00 0.73 N ATOM 1246 CA LEU A 79 -8.315 -5.807 -4.732 1.00 0.85 C ATOM 1247 C LEU A 79 -9.631 -6.454 -5.139 1.00 0.64 C ATOM 1248 O LEU A 79 -10.087 -7.394 -4.487 1.00 0.74 O ATOM 1249 CB LEU A 79 -7.115 -6.600 -5.279 1.00 1.29 C ATOM 1250 CG LEU A 79 -6.082 -5.646 -5.860 1.00 0.62 C ATOM 1251 CD1 LEU A 79 -5.545 -4.652 -4.846 1.00 1.47 C ATOM 1252 CD2 LEU A 79 -4.880 -6.396 -6.425 1.00 1.55 C ATOM 0 H LEU A 79 -7.451 -6.266 -2.885 1.00 0.73 H new ATOM 0 HA LEU A 79 -8.278 -4.800 -5.148 1.00 0.85 H new ATOM 0 HB2 LEU A 79 -6.667 -7.193 -4.482 1.00 1.29 H new ATOM 0 HB3 LEU A 79 -7.449 -7.298 -6.046 1.00 1.29 H new ATOM 0 HG LEU A 79 -6.616 -5.110 -6.645 1.00 0.62 H new ATOM 0 HD11 LEU A 79 -4.813 -4.002 -5.326 1.00 1.47 H new ATOM 0 HD12 LEU A 79 -6.366 -4.049 -4.457 1.00 1.47 H new ATOM 0 HD13 LEU A 79 -5.070 -5.190 -4.026 1.00 1.47 H new ATOM 0 HD21 LEU A 79 -4.164 -5.682 -6.831 1.00 1.55 H new ATOM 0 HD22 LEU A 79 -4.406 -6.974 -5.632 1.00 1.55 H new ATOM 0 HD23 LEU A 79 -5.210 -7.069 -7.217 1.00 1.55 H new ATOM 1264 N HIS A 80 -10.227 -5.949 -6.220 1.00 0.54 N ATOM 1265 CA HIS A 80 -11.491 -6.458 -6.725 1.00 0.60 C ATOM 1266 C HIS A 80 -11.483 -7.979 -6.893 1.00 0.89 C ATOM 1267 O HIS A 80 -10.448 -8.584 -7.171 1.00 1.06 O ATOM 1268 CB HIS A 80 -11.829 -5.809 -8.072 1.00 0.67 C ATOM 1269 CG HIS A 80 -12.981 -4.843 -8.015 1.00 0.74 C ATOM 1270 ND1 HIS A 80 -13.973 -4.719 -8.961 1.00 1.21 N ATOM 1271 CD2 HIS A 80 -13.210 -3.911 -7.044 1.00 0.91 C ATOM 1272 CE1 HIS A 80 -14.778 -3.714 -8.568 1.00 1.19 C ATOM 1273 NE2 HIS A 80 -14.355 -3.200 -7.406 1.00 0.96 N ATOM 0 H HIS A 80 -9.843 -5.177 -6.765 1.00 0.54 H new ATOM 0 HA HIS A 80 -12.248 -6.203 -5.983 1.00 0.60 H new ATOM 0 HB2 HIS A 80 -10.948 -5.286 -8.443 1.00 0.67 H new ATOM 0 HB3 HIS A 80 -12.061 -6.593 -8.793 1.00 0.67 H new ATOM 0 HD2 HIS A 80 -12.614 -3.753 -6.157 1.00 0.91 H new ATOM 0 HE1 HIS A 80 -15.644 -3.370 -9.114 1.00 1.19 H new ATOM 0 HE2 HIS A 80 -14.787 -2.436 -6.886 1.00 0.96 H new ATOM 1281 N PRO A 81 -12.663 -8.602 -6.793 1.00 1.24 N ATOM 1282 CA PRO A 81 -12.770 -10.045 -6.751 1.00 1.70 C ATOM 1283 C PRO A 81 -12.554 -10.680 -8.121 1.00 1.74 C ATOM 1284 O PRO A 81 -11.924 -11.732 -8.219 1.00 2.15 O ATOM 1285 CB PRO A 81 -14.171 -10.334 -6.213 1.00 2.16 C ATOM 1286 CG PRO A 81 -14.982 -9.074 -6.527 1.00 2.06 C ATOM 1287 CD PRO A 81 -13.948 -7.953 -6.618 1.00 1.47 C ATOM 0 HA PRO A 81 -11.996 -10.477 -6.116 1.00 1.70 H new ATOM 0 HB2 PRO A 81 -14.604 -11.212 -6.692 1.00 2.16 H new ATOM 0 HB3 PRO A 81 -14.149 -10.533 -5.142 1.00 2.16 H new ATOM 0 HG2 PRO A 81 -15.532 -9.181 -7.462 1.00 2.06 H new ATOM 0 HG3 PRO A 81 -15.716 -8.872 -5.747 1.00 2.06 H new ATOM 0 HD2 PRO A 81 -14.166 -7.289 -7.455 1.00 1.47 H new ATOM 0 HD3 PRO A 81 -13.956 -7.342 -5.716 1.00 1.47 H new ATOM 1295 N ASP A 82 -13.052 -10.040 -9.183 1.00 1.99 N ATOM 1296 CA ASP A 82 -12.813 -10.493 -10.552 1.00 2.12 C ATOM 1297 C ASP A 82 -11.301 -10.584 -10.774 1.00 1.96 C ATOM 1298 O ASP A 82 -10.766 -11.558 -11.307 1.00 2.10 O ATOM 1299 CB ASP A 82 -13.488 -9.506 -11.517 1.00 2.33 C ATOM 1300 CG ASP A 82 -13.668 -10.083 -12.923 1.00 2.84 C ATOM 1301 OD1 ASP A 82 -12.652 -10.423 -13.564 1.00 3.41 O ATOM 1302 OD2 ASP A 82 -14.842 -10.185 -13.345 1.00 3.82 O ATOM 0 H ASP A 82 -13.627 -9.200 -9.117 1.00 1.99 H new ATOM 0 HA ASP A 82 -13.238 -11.480 -10.733 1.00 2.12 H new ATOM 0 HB2 ASP A 82 -14.462 -9.223 -11.118 1.00 2.33 H new ATOM 0 HB3 ASP A 82 -12.891 -8.596 -11.576 1.00 2.33 H new ATOM 1307 N ASP A 83 -10.582 -9.620 -10.197 1.00 1.82 N ATOM 1308 CA ASP A 83 -9.143 -9.511 -10.311 1.00 1.87 C ATOM 1309 C ASP A 83 -8.440 -10.180 -9.125 1.00 1.97 C ATOM 1310 O ASP A 83 -7.404 -9.708 -8.659 1.00 2.41 O ATOM 1311 CB ASP A 83 -8.723 -8.046 -10.450 1.00 2.01 C ATOM 1312 CG ASP A 83 -9.624 -7.203 -11.353 1.00 3.52 C ATOM 1313 OD1 ASP A 83 -9.536 -7.391 -12.585 1.00 4.31 O ATOM 1314 OD2 ASP A 83 -10.362 -6.360 -10.792 1.00 4.49 O ATOM 0 H ASP A 83 -11.000 -8.883 -9.628 1.00 1.82 H new ATOM 0 HA ASP A 83 -8.834 -10.039 -11.213 1.00 1.87 H new ATOM 0 HB2 ASP A 83 -8.701 -7.594 -9.459 1.00 2.01 H new ATOM 0 HB3 ASP A 83 -7.706 -8.010 -10.840 1.00 2.01 H new ATOM 1319 N ARG A 84 -8.982 -11.289 -8.612 1.00 2.01 N ATOM 1320 CA ARG A 84 -8.387 -11.973 -7.461 1.00 2.35 C ATOM 1321 C ARG A 84 -7.840 -13.343 -7.826 1.00 2.52 C ATOM 1322 O ARG A 84 -6.822 -13.746 -7.265 1.00 2.87 O ATOM 1323 CB ARG A 84 -9.445 -12.098 -6.360 1.00 2.71 C ATOM 1324 CG ARG A 84 -8.896 -12.669 -5.050 1.00 3.26 C ATOM 1325 CD ARG A 84 -8.046 -11.631 -4.312 1.00 3.98 C ATOM 1326 NE ARG A 84 -7.474 -12.197 -3.086 1.00 4.99 N ATOM 1327 CZ ARG A 84 -6.461 -13.073 -3.047 1.00 5.62 C ATOM 1328 NH1 ARG A 84 -5.862 -13.468 -4.174 1.00 5.80 N ATOM 1329 NH2 ARG A 84 -6.053 -13.555 -1.870 1.00 6.70 N ATOM 0 H ARG A 84 -9.828 -11.730 -8.974 1.00 2.01 H new ATOM 0 HA ARG A 84 -7.542 -11.381 -7.109 1.00 2.35 H new ATOM 0 HB2 ARG A 84 -9.875 -11.115 -6.167 1.00 2.71 H new ATOM 0 HB3 ARG A 84 -10.254 -12.736 -6.715 1.00 2.71 H new ATOM 0 HG2 ARG A 84 -9.722 -12.987 -4.413 1.00 3.26 H new ATOM 0 HG3 ARG A 84 -8.295 -13.554 -5.259 1.00 3.26 H new ATOM 0 HD2 ARG A 84 -7.245 -11.282 -4.964 1.00 3.98 H new ATOM 0 HD3 ARG A 84 -8.658 -10.763 -4.065 1.00 3.98 H new ATOM 0 HE ARG A 84 -7.877 -11.902 -2.197 1.00 4.99 H new ATOM 0 HH11 ARG A 84 -6.175 -13.102 -5.073 1.00 5.80 H new ATOM 0 HH12 ARG A 84 -5.091 -14.135 -4.135 1.00 5.80 H new ATOM 0 HH21 ARG A 84 -6.512 -13.256 -1.010 1.00 6.70 H new ATOM 0 HH22 ARG A 84 -5.283 -14.222 -1.832 1.00 6.70 H new ATOM 1343 N SER A 85 -8.522 -14.053 -8.727 1.00 2.56 N ATOM 1344 CA SER A 85 -8.200 -15.427 -9.097 1.00 3.02 C ATOM 1345 C SER A 85 -8.241 -15.549 -10.619 1.00 3.17 C ATOM 1346 O SER A 85 -8.772 -16.508 -11.178 1.00 3.51 O ATOM 1347 CB SER A 85 -9.147 -16.398 -8.378 1.00 3.55 C ATOM 1348 OG SER A 85 -8.420 -17.523 -7.930 1.00 4.29 O ATOM 0 H SER A 85 -9.328 -13.679 -9.228 1.00 2.56 H new ATOM 0 HA SER A 85 -7.193 -15.694 -8.777 1.00 3.02 H new ATOM 0 HB2 SER A 85 -9.623 -15.900 -7.533 1.00 3.55 H new ATOM 0 HB3 SER A 85 -9.943 -16.712 -9.053 1.00 3.55 H new ATOM 0 HG SER A 85 -9.025 -18.141 -7.470 1.00 4.29 H new ATOM 1354 N LYS A 86 -7.738 -14.517 -11.299 1.00 3.42 N ATOM 1355 CA LYS A 86 -7.644 -14.498 -12.748 1.00 4.38 C ATOM 1356 C LYS A 86 -6.653 -13.419 -13.155 1.00 5.15 C ATOM 1357 O LYS A 86 -5.539 -13.747 -13.549 1.00 6.26 O ATOM 1358 CB LYS A 86 -9.036 -14.287 -13.371 1.00 4.76 C ATOM 1359 CG LYS A 86 -9.284 -15.404 -14.389 1.00 5.51 C ATOM 1360 CD LYS A 86 -10.694 -15.346 -14.979 1.00 6.40 C ATOM 1361 CE LYS A 86 -11.699 -15.960 -13.996 1.00 6.73 C ATOM 1362 NZ LYS A 86 -12.769 -16.697 -14.703 1.00 7.70 N ATOM 0 H LYS A 86 -7.385 -13.671 -10.852 1.00 3.42 H new ATOM 0 HA LYS A 86 -7.280 -15.455 -13.122 1.00 4.38 H new ATOM 0 HB2 LYS A 86 -9.804 -14.301 -12.598 1.00 4.76 H new ATOM 0 HB3 LYS A 86 -9.091 -13.313 -13.856 1.00 4.76 H new ATOM 0 HG2 LYS A 86 -8.552 -15.329 -15.193 1.00 5.51 H new ATOM 0 HG3 LYS A 86 -9.132 -16.371 -13.909 1.00 5.51 H new ATOM 0 HD2 LYS A 86 -10.966 -14.312 -15.192 1.00 6.40 H new ATOM 0 HD3 LYS A 86 -10.723 -15.885 -15.926 1.00 6.40 H new ATOM 0 HE2 LYS A 86 -11.179 -16.635 -13.317 1.00 6.73 H new ATOM 0 HE3 LYS A 86 -12.141 -15.172 -13.386 1.00 6.73 H new ATOM 0 HZ1 LYS A 86 -13.431 -17.099 -14.009 1.00 7.70 H new ATOM 0 HZ2 LYS A 86 -13.281 -16.047 -15.333 1.00 7.70 H new ATOM 0 HZ3 LYS A 86 -12.349 -17.464 -15.265 1.00 7.70 H new ATOM 1376 N LEU A 87 -7.036 -12.149 -12.967 1.00 5.09 N ATOM 1377 CA LEU A 87 -6.264 -10.989 -13.412 1.00 6.06 C ATOM 1378 C LEU A 87 -5.995 -11.081 -14.921 1.00 7.12 C ATOM 1379 O LEU A 87 -6.567 -11.932 -15.595 1.00 7.48 O ATOM 1380 CB LEU A 87 -4.987 -10.860 -12.558 1.00 6.03 C ATOM 1381 CG LEU A 87 -5.328 -10.538 -11.095 1.00 5.40 C ATOM 1382 CD1 LEU A 87 -4.427 -11.323 -10.138 1.00 5.28 C ATOM 1383 CD2 LEU A 87 -5.140 -9.036 -10.861 1.00 5.77 C ATOM 0 H LEU A 87 -7.904 -11.899 -12.494 1.00 5.09 H new ATOM 0 HA LEU A 87 -6.832 -10.071 -13.263 1.00 6.06 H new ATOM 0 HB2 LEU A 87 -4.419 -11.789 -12.606 1.00 6.03 H new ATOM 0 HB3 LEU A 87 -4.350 -10.076 -12.967 1.00 6.03 H new ATOM 0 HG LEU A 87 -6.362 -10.824 -10.902 1.00 5.40 H new ATOM 0 HD11 LEU A 87 -4.688 -11.078 -9.109 1.00 5.28 H new ATOM 0 HD12 LEU A 87 -4.565 -12.392 -10.302 1.00 5.28 H new ATOM 0 HD13 LEU A 87 -3.385 -11.059 -10.321 1.00 5.28 H new ATOM 0 HD21 LEU A 87 -5.380 -8.796 -9.825 1.00 5.77 H new ATOM 0 HD22 LEU A 87 -4.105 -8.762 -11.067 1.00 5.77 H new ATOM 0 HD23 LEU A 87 -5.801 -8.479 -11.525 1.00 5.77 H new ATOM 1395 N SER A 88 -5.147 -10.191 -15.456 1.00 8.08 N ATOM 1396 CA SER A 88 -4.727 -10.184 -16.855 1.00 9.28 C ATOM 1397 C SER A 88 -5.891 -9.984 -17.827 1.00 9.70 C ATOM 1398 O SER A 88 -6.539 -10.944 -18.243 1.00 9.59 O ATOM 1399 CB SER A 88 -3.943 -11.467 -17.173 1.00 9.62 C ATOM 1400 OG SER A 88 -3.792 -11.635 -18.566 1.00 10.62 O ATOM 0 H SER A 88 -4.727 -9.439 -14.910 1.00 8.08 H new ATOM 0 HA SER A 88 -4.073 -9.323 -16.995 1.00 9.28 H new ATOM 0 HB2 SER A 88 -2.962 -11.425 -16.700 1.00 9.62 H new ATOM 0 HB3 SER A 88 -4.463 -12.328 -16.753 1.00 9.62 H new ATOM 0 HG SER A 88 -3.289 -12.457 -18.744 1.00 10.62 H new ATOM 1406 N LYS A 89 -6.112 -8.752 -18.294 1.00 10.53 N ATOM 1407 CA LYS A 89 -7.102 -8.533 -19.336 1.00 11.23 C ATOM 1408 C LYS A 89 -6.719 -7.291 -20.139 1.00 12.44 C ATOM 1409 O LYS A 89 -6.128 -6.385 -19.560 1.00 12.97 O ATOM 1410 CB LYS A 89 -8.476 -8.368 -18.667 1.00 11.12 C ATOM 1411 CG LYS A 89 -9.508 -9.328 -19.265 1.00 11.38 C ATOM 1412 CD LYS A 89 -10.873 -8.648 -19.316 1.00 12.12 C ATOM 1413 CE LYS A 89 -11.886 -9.616 -19.926 1.00 12.59 C ATOM 1414 NZ LYS A 89 -13.239 -9.405 -19.369 1.00 13.31 N ATOM 0 H LYS A 89 -5.629 -7.913 -17.973 1.00 10.53 H new ATOM 0 HA LYS A 89 -7.143 -9.378 -20.023 1.00 11.23 H new ATOM 0 HB2 LYS A 89 -8.385 -8.550 -17.596 1.00 11.12 H new ATOM 0 HB3 LYS A 89 -8.820 -7.341 -18.787 1.00 11.12 H new ATOM 0 HG2 LYS A 89 -9.202 -9.628 -20.267 1.00 11.38 H new ATOM 0 HG3 LYS A 89 -9.565 -10.236 -18.665 1.00 11.38 H new ATOM 0 HD2 LYS A 89 -11.187 -8.357 -18.314 1.00 12.12 H new ATOM 0 HD3 LYS A 89 -10.818 -7.736 -19.911 1.00 12.12 H new ATOM 0 HE2 LYS A 89 -11.912 -9.484 -21.008 1.00 12.59 H new ATOM 0 HE3 LYS A 89 -11.570 -10.642 -19.738 1.00 12.59 H new ATOM 0 HZ1 LYS A 89 -13.902 -10.078 -19.804 1.00 13.31 H new ATOM 0 HZ2 LYS A 89 -13.218 -9.555 -18.340 1.00 13.31 H new ATOM 0 HZ3 LYS A 89 -13.550 -8.433 -19.571 1.00 13.31 H new ATOM 1428 N PRO A 90 -7.046 -7.228 -21.440 1.00 13.11 N ATOM 1429 CA PRO A 90 -6.775 -6.055 -22.249 1.00 14.43 C ATOM 1430 C PRO A 90 -7.760 -4.942 -21.908 1.00 14.95 C ATOM 1431 O PRO A 90 -7.327 -3.861 -21.537 1.00 15.54 O ATOM 1432 CB PRO A 90 -6.886 -6.507 -23.707 1.00 15.07 C ATOM 1433 CG PRO A 90 -7.697 -7.804 -23.675 1.00 14.22 C ATOM 1434 CD PRO A 90 -7.661 -8.283 -22.224 1.00 12.95 C ATOM 0 HA PRO A 90 -5.783 -5.645 -22.061 1.00 14.43 H new ATOM 0 HB2 PRO A 90 -7.381 -5.750 -24.315 1.00 15.07 H new ATOM 0 HB3 PRO A 90 -5.900 -6.672 -24.143 1.00 15.07 H new ATOM 0 HG2 PRO A 90 -8.722 -7.632 -24.005 1.00 14.22 H new ATOM 0 HG3 PRO A 90 -7.268 -8.550 -24.344 1.00 14.22 H new ATOM 0 HD2 PRO A 90 -8.668 -8.494 -21.863 1.00 12.95 H new ATOM 0 HD3 PRO A 90 -7.091 -9.208 -22.138 1.00 12.95 H new ATOM 1442 N MET A 91 -9.066 -5.227 -22.010 1.00 15.04 N ATOM 1443 CA MET A 91 -10.163 -4.292 -21.765 1.00 15.75 C ATOM 1444 C MET A 91 -9.934 -2.946 -22.463 1.00 16.94 C ATOM 1445 O MET A 91 -9.379 -2.014 -21.888 1.00 17.66 O ATOM 1446 CB MET A 91 -10.414 -4.168 -20.256 1.00 16.00 C ATOM 1447 CG MET A 91 -11.752 -3.484 -19.950 1.00 16.68 C ATOM 1448 SD MET A 91 -11.610 -1.803 -19.296 1.00 18.16 S ATOM 1449 CE MET A 91 -12.545 -1.986 -17.756 1.00 18.61 C ATOM 0 H MET A 91 -9.396 -6.155 -22.277 1.00 15.04 H new ATOM 0 HA MET A 91 -11.075 -4.687 -22.212 1.00 15.75 H new ATOM 0 HB2 MET A 91 -10.402 -5.160 -19.804 1.00 16.00 H new ATOM 0 HB3 MET A 91 -9.604 -3.600 -19.799 1.00 16.00 H new ATOM 0 HG2 MET A 91 -12.347 -3.455 -20.863 1.00 16.68 H new ATOM 0 HG3 MET A 91 -12.300 -4.094 -19.232 1.00 16.68 H new ATOM 0 HE1 MET A 91 -12.558 -1.035 -17.223 1.00 18.61 H new ATOM 0 HE2 MET A 91 -13.567 -2.288 -17.985 1.00 18.61 H new ATOM 0 HE3 MET A 91 -12.074 -2.745 -17.132 1.00 18.61 H new ATOM 1459 N GLU A 92 -10.360 -2.864 -23.729 1.00 17.33 N ATOM 1460 CA GLU A 92 -10.212 -1.661 -24.543 1.00 18.58 C ATOM 1461 C GLU A 92 -10.661 -0.430 -23.752 1.00 19.41 C ATOM 1462 O GLU A 92 -11.748 -0.428 -23.172 1.00 19.27 O ATOM 1463 CB GLU A 92 -10.991 -1.813 -25.865 1.00 18.84 C ATOM 1464 CG GLU A 92 -10.045 -1.874 -27.071 1.00 19.60 C ATOM 1465 CD GLU A 92 -9.132 -0.650 -27.144 1.00 20.76 C ATOM 1466 OE1 GLU A 92 -9.565 0.409 -26.649 1.00 21.50 O ATOM 1467 OE2 GLU A 92 -7.989 -0.817 -27.621 1.00 21.07 O ATOM 0 H GLU A 92 -10.818 -3.635 -24.215 1.00 17.33 H new ATOM 0 HA GLU A 92 -9.161 -1.523 -24.796 1.00 18.58 H new ATOM 0 HB2 GLU A 92 -11.596 -2.719 -25.830 1.00 18.84 H new ATOM 0 HB3 GLU A 92 -11.678 -0.975 -25.982 1.00 18.84 H new ATOM 0 HG2 GLU A 92 -9.437 -2.777 -27.010 1.00 19.60 H new ATOM 0 HG3 GLU A 92 -10.630 -1.945 -27.988 1.00 19.60 H new ATOM 1474 N THR A 93 -9.797 0.583 -23.682 1.00 20.49 N ATOM 1475 CA THR A 93 -9.982 1.757 -22.851 1.00 21.57 C ATOM 1476 C THR A 93 -9.834 2.986 -23.739 1.00 22.76 C ATOM 1477 O THR A 93 -8.842 3.099 -24.457 1.00 23.13 O ATOM 1478 CB THR A 93 -8.930 1.766 -21.728 1.00 21.93 C ATOM 1479 OG1 THR A 93 -9.174 0.725 -20.809 1.00 21.70 O ATOM 1480 CG2 THR A 93 -8.931 3.081 -20.939 1.00 22.90 C ATOM 0 H THR A 93 -8.929 0.603 -24.218 1.00 20.49 H new ATOM 0 HA THR A 93 -10.969 1.754 -22.388 1.00 21.57 H new ATOM 0 HB THR A 93 -7.965 1.639 -22.219 1.00 21.93 H new ATOM 0 HG1 THR A 93 -9.206 -0.131 -21.285 1.00 21.70 H new ATOM 0 HG21 THR A 93 -8.172 3.037 -20.158 1.00 22.90 H new ATOM 0 HG22 THR A 93 -8.712 3.910 -21.613 1.00 22.90 H new ATOM 0 HG23 THR A 93 -9.910 3.232 -20.485 1.00 22.90 H new ATOM 1488 N LEU A 94 -10.750 3.947 -23.571 1.00 23.54 N ATOM 1489 CA LEU A 94 -10.794 5.207 -24.312 1.00 24.80 C ATOM 1490 C LEU A 94 -10.991 4.979 -25.810 1.00 24.54 C ATOM 1491 O LEU A 94 -10.642 5.901 -26.579 1.00 25.30 O ATOM 1492 CB LEU A 94 -9.565 6.070 -23.956 1.00 26.06 C ATOM 1493 CG LEU A 94 -9.971 7.304 -23.144 1.00 27.41 C ATOM 1494 CD1 LEU A 94 -8.774 7.874 -22.371 1.00 28.48 C ATOM 1495 CD2 LEU A 94 -10.572 8.374 -24.062 1.00 28.17 C ATOM 1496 OXT LEU A 94 -11.604 3.943 -26.143 1.00 23.77 O ATOM 0 H LEU A 94 -11.506 3.863 -22.891 1.00 23.54 H new ATOM 0 HA LEU A 94 -11.672 5.776 -24.006 1.00 24.80 H new ATOM 0 HB2 LEU A 94 -8.852 5.475 -23.386 1.00 26.06 H new ATOM 0 HB3 LEU A 94 -9.060 6.383 -24.870 1.00 26.06 H new ATOM 0 HG LEU A 94 -10.727 6.998 -22.420 1.00 27.41 H new ATOM 0 HD11 LEU A 94 -9.091 8.749 -21.803 1.00 28.48 H new ATOM 0 HD12 LEU A 94 -8.389 7.118 -21.687 1.00 28.48 H new ATOM 0 HD13 LEU A 94 -7.991 8.161 -23.073 1.00 28.48 H new ATOM 0 HD21 LEU A 94 -10.855 9.244 -23.470 1.00 28.17 H new ATOM 0 HD22 LEU A 94 -9.835 8.668 -24.809 1.00 28.17 H new ATOM 0 HD23 LEU A 94 -11.454 7.972 -24.561 1.00 28.17 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.190 -0.312 5.867 1.00 0.33 FE HETATM 1510 CHA HEM A 95 10.968 -0.309 7.858 1.00 0.46 C HETATM 1511 CHB HEM A 95 6.140 -0.239 8.634 1.00 0.27 C HETATM 1512 CHC HEM A 95 5.424 -0.615 3.791 1.00 0.36 C HETATM 1513 CHD HEM A 95 10.239 -0.129 3.008 1.00 0.41 C HETATM 1514 NA HEM A 95 8.492 -0.301 7.877 1.00 0.34 N HETATM 1515 C1A HEM A 95 9.712 -0.358 8.461 1.00 0.40 C HETATM 1516 C2A HEM A 95 9.507 -0.514 9.881 1.00 0.42 C HETATM 1517 C3A HEM A 95 8.156 -0.366 10.117 1.00 0.35 C HETATM 1518 C4A HEM A 95 7.515 -0.289 8.828 1.00 0.30 C HETATM 1519 CMA HEM A 95 7.446 -0.348 11.453 1.00 0.38 C HETATM 1520 CAA HEM A 95 10.601 -0.804 10.889 1.00 0.49 C HETATM 1521 CBA HEM A 95 11.402 -2.105 10.669 1.00 1.46 C HETATM 1522 CGA HEM A 95 10.942 -3.007 9.515 1.00 3.16 C HETATM 1523 O1A HEM A 95 11.811 -3.349 8.685 1.00 3.93 O HETATM 1524 O2A HEM A 95 9.744 -3.357 9.470 1.00 4.56 O HETATM 1525 NB HEM A 95 6.175 -0.395 6.150 1.00 0.30 N HETATM 1526 C1B HEM A 95 5.560 -0.340 7.372 1.00 0.28 C HETATM 1527 C2B HEM A 95 4.142 -0.464 7.157 1.00 0.31 C HETATM 1528 C3B HEM A 95 3.961 -0.611 5.803 1.00 0.34 C HETATM 1529 C4B HEM A 95 5.242 -0.532 5.159 1.00 0.33 C HETATM 1530 CMB HEM A 95 3.126 -0.526 8.257 1.00 0.34 C HETATM 1531 CAB HEM A 95 2.666 -0.892 5.071 1.00 0.39 C HETATM 1532 CBB HEM A 95 1.794 -1.828 5.489 1.00 0.74 C HETATM 1533 NC HEM A 95 7.881 -0.337 3.780 1.00 0.35 N HETATM 1534 C1C HEM A 95 6.662 -0.507 3.190 1.00 0.36 C HETATM 1535 C2C HEM A 95 6.862 -0.630 1.772 1.00 0.40 C HETATM 1536 C3C HEM A 95 8.193 -0.389 1.550 1.00 0.41 C HETATM 1537 C4C HEM A 95 8.863 -0.275 2.822 1.00 0.38 C HETATM 1538 CMC HEM A 95 5.832 -1.090 0.780 1.00 0.46 C HETATM 1539 CAC HEM A 95 8.861 -0.351 0.192 1.00 0.49 C HETATM 1540 CBC HEM A 95 8.241 0.143 -0.906 1.00 0.68 C HETATM 1541 ND HEM A 95 10.233 -0.173 5.502 1.00 0.40 N HETATM 1542 C1D HEM A 95 10.831 -0.075 4.275 1.00 0.43 C HETATM 1543 C2D HEM A 95 12.243 0.115 4.503 1.00 0.50 C HETATM 1544 C3D HEM A 95 12.455 0.045 5.864 1.00 0.50 C HETATM 1545 C4D HEM A 95 11.168 -0.162 6.486 1.00 0.45 C HETATM 1546 CMD HEM A 95 13.275 0.367 3.430 1.00 0.57 C HETATM 1547 CAD HEM A 95 13.772 0.230 6.588 1.00 0.57 C HETATM 1548 CBD HEM A 95 13.803 1.461 7.508 1.00 2.53 C HETATM 1549 CGD HEM A 95 15.217 1.817 7.946 1.00 3.28 C HETATM 1550 O1D HEM A 95 15.660 2.931 7.590 1.00 4.62 O HETATM 1551 O2D HEM A 95 15.826 0.976 8.643 1.00 3.37 O HETATM 0 HMA1 HEM A 95 8.022 -0.922 12.179 1.00 0.38 H new HETATM 0 HMA2 HEM A 95 6.456 -0.790 11.345 1.00 0.38 H new HETATM 0 HMA3 HEM A 95 7.348 0.681 11.799 1.00 0.38 H new HETATM 0 HMB1 HEM A 95 3.572 -0.985 9.139 1.00 0.34 H new HETATM 0 HMB2 HEM A 95 2.273 -1.121 7.931 1.00 0.34 H new HETATM 0 HMB3 HEM A 95 2.793 0.483 8.502 1.00 0.34 H new HETATM 0 HMC1 HEM A 95 5.148 -1.788 1.263 1.00 0.46 H new HETATM 0 HMC2 HEM A 95 6.327 -1.586 -0.055 1.00 0.46 H new HETATM 0 HMC3 HEM A 95 5.272 -0.230 0.412 1.00 0.46 H new HETATM 0 HMD1 HEM A 95 14.084 0.972 3.839 1.00 0.57 H new HETATM 0 HMD2 HEM A 95 12.812 0.895 2.597 1.00 0.57 H new HETATM 0 HMD3 HEM A 95 13.675 -0.584 3.079 1.00 0.57 H new HETATM 0 HBB1 HEM A 95 0.872 -2.000 4.934 1.00 0.74 H new HETATM 0 HBB2 HEM A 95 2.010 -2.414 6.383 1.00 0.74 H new HETATM 0 HBC1 HEM A 95 8.758 0.152 -1.866 1.00 0.68 H new HETATM 0 HBC2 HEM A 95 7.225 0.532 -0.830 1.00 0.68 H new HETATM 0 HBA1 HEM A 95 11.368 -2.686 11.590 1.00 1.46 H new HETATM 0 HBA2 HEM A 95 12.445 -1.838 10.498 1.00 1.46 H new HETATM 0 HAA1 HEM A 95 10.152 -0.842 11.881 1.00 0.49 H new HETATM 0 HAA2 HEM A 95 11.299 0.033 10.887 1.00 0.49 H new HETATM 0 HBD1 HEM A 95 13.189 1.270 8.388 1.00 2.53 H new HETATM 0 HBD2 HEM A 95 13.360 2.311 6.989 1.00 2.53 H new HETATM 0 HAD1 HEM A 95 14.572 0.317 5.853 1.00 0.57 H new HETATM 0 HAD2 HEM A 95 13.979 -0.661 7.181 1.00 0.57 H new HETATM 0 HHA HEM A 95 11.839 -0.390 8.492 1.00 0.46 H new HETATM 0 HHB HEM A 95 5.497 -0.117 9.494 1.00 0.27 H new HETATM 0 HHC HEM A 95 4.558 -0.771 3.164 1.00 0.36 H new HETATM 0 HHD HEM A 95 10.873 -0.055 2.137 1.00 0.41 H new HETATM 0 HAB HEM A 95 2.432 -0.317 4.175 1.00 0.39 H new HETATM 0 HAC HEM A 95 9.877 -0.735 0.095 1.00 0.49 H new