USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 845 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 44 HIS HE2 : A 44 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD Set 1.1: A 26 THR OG1 : rot 86:sc= 0.232 USER MOD Set 1.2: A 38 THR OG1 : rot -65:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.29 (180deg=1.11) USER MOD Single : A 4 GLN : amide:sc= -0.0916 K(o=-0.092,f=-1.9) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -115:sc= 1.16 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.834 USER MOD Single : A 13 THR OG1 : rot 100:sc= 1.27 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.2!) USER MOD Single : A 21 ASN : amide:sc= 0.33 K(o=0.33,f=-4.9!) USER MOD Single : A 22 HIS : no HD1:sc= 0.0278 K(o=0.028,f=-1.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0545 X(o=-0.054,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.04) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.31) USER MOD Single : A 60 THR OG1 : rot 111:sc= 0.7! USER MOD Single : A 62 ASN : amide:sc=-0.00349 K(o=-0.0035,f=-0.92) USER MOD Single : A 69 SER OG : rot 76:sc= 1.2 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 76 SER OG : rot 69:sc= 1.4 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= 0.816 K(o=0.82,f=-5.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0819 USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= 1.32 (180deg=0.759) USER MOD Single : A 96 MET CE :methyl 145:sc= -0.163 (180deg=-1.5) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0741 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 400 HEM CMA :methyl -30:sc= -0.639 (180deg=-2.58!) USER MOD Single : A 400 HEM CMB :methyl 150:sc= -0.0873 (180deg=-0.0873) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -0.952 (180deg=-4.07!) USER MOD Single : A 400 HEM CMD :methyl 150:sc= -0.426 (180deg=-0.426) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.394 -14.556 17.049 1.00 1.40 N ATOM 2 CA MET A 1 19.159 -13.648 18.194 1.00 1.19 C ATOM 3 C MET A 1 18.017 -12.686 17.890 1.00 1.07 C ATOM 4 O MET A 1 16.936 -12.789 18.471 1.00 1.47 O ATOM 5 CB MET A 1 20.440 -12.878 18.544 1.00 1.39 C ATOM 6 CG MET A 1 21.423 -13.688 19.380 1.00 1.77 C ATOM 7 SD MET A 1 21.907 -15.237 18.589 1.00 2.23 S ATOM 8 CE MET A 1 22.672 -16.088 19.966 1.00 2.70 C ATOM 0 H1 MET A 1 20.276 -15.086 17.202 1.00 1.40 H new ATOM 0 H2 MET A 1 18.600 -15.222 16.965 1.00 1.40 H new ATOM 0 H3 MET A 1 19.472 -13.999 16.174 1.00 1.40 H new ATOM 0 HA MET A 1 18.876 -14.250 19.058 1.00 1.19 H new ATOM 0 HB2 MET A 1 20.930 -12.565 17.622 1.00 1.39 H new ATOM 0 HB3 MET A 1 20.173 -11.971 19.087 1.00 1.39 H new ATOM 0 HG2 MET A 1 22.313 -13.088 19.568 1.00 1.77 H new ATOM 0 HG3 MET A 1 20.975 -13.905 20.350 1.00 1.77 H new ATOM 0 HE1 MET A 1 23.025 -17.066 19.639 1.00 2.70 H new ATOM 0 HE2 MET A 1 23.515 -15.502 20.333 1.00 2.70 H new ATOM 0 HE3 MET A 1 21.943 -16.215 20.766 1.00 2.70 H new ATOM 20 N ALA A 2 18.245 -11.757 16.970 1.00 0.86 N ATOM 21 CA ALA A 2 17.220 -10.788 16.601 1.00 0.87 C ATOM 22 C ALA A 2 17.296 -10.445 15.119 1.00 0.72 C ATOM 23 O ALA A 2 17.007 -9.318 14.718 1.00 0.87 O ATOM 24 CB ALA A 2 17.353 -9.528 17.445 1.00 1.10 C ATOM 0 H ALA A 2 19.127 -11.654 16.467 1.00 0.86 H new ATOM 0 HA ALA A 2 16.246 -11.238 16.793 1.00 0.87 H new ATOM 0 HB1 ALA A 2 16.581 -8.814 17.158 1.00 1.10 H new ATOM 0 HB2 ALA A 2 17.238 -9.782 18.499 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.335 -9.084 17.284 1.00 1.10 H new ATOM 30 N ALA A 3 17.671 -11.421 14.308 1.00 0.71 N ATOM 31 CA ALA A 3 17.783 -11.211 12.874 1.00 0.72 C ATOM 32 C ALA A 3 17.283 -12.428 12.109 1.00 0.70 C ATOM 33 O ALA A 3 17.758 -13.548 12.324 1.00 1.05 O ATOM 34 CB ALA A 3 19.221 -10.896 12.497 1.00 0.96 C ATOM 0 H ALA A 3 17.903 -12.365 14.618 1.00 0.71 H new ATOM 0 HA ALA A 3 17.159 -10.360 12.602 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.289 -10.741 11.420 1.00 0.96 H new ATOM 0 HB2 ALA A 3 19.543 -9.992 13.015 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.863 -11.728 12.785 1.00 0.96 H new ATOM 40 N GLN A 4 16.320 -12.203 11.223 1.00 0.66 N ATOM 41 CA GLN A 4 15.743 -13.274 10.420 1.00 0.68 C ATOM 42 C GLN A 4 15.205 -12.735 9.098 1.00 0.66 C ATOM 43 O GLN A 4 14.328 -11.869 9.076 1.00 0.81 O ATOM 44 CB GLN A 4 14.622 -13.987 11.187 1.00 0.83 C ATOM 45 CG GLN A 4 13.665 -13.043 11.899 1.00 0.97 C ATOM 46 CD GLN A 4 13.819 -13.080 13.410 1.00 1.33 C ATOM 47 OE1 GLN A 4 14.888 -13.405 13.933 1.00 1.79 O ATOM 48 NE2 GLN A 4 12.756 -12.751 14.124 1.00 1.63 N ATOM 0 H GLN A 4 15.920 -11.282 11.042 1.00 0.66 H new ATOM 0 HA GLN A 4 16.535 -13.992 10.208 1.00 0.68 H new ATOM 0 HB2 GLN A 4 14.056 -14.606 10.491 1.00 0.83 H new ATOM 0 HB3 GLN A 4 15.067 -14.659 11.921 1.00 0.83 H new ATOM 0 HG2 GLN A 4 13.835 -12.026 11.546 1.00 0.97 H new ATOM 0 HG3 GLN A 4 12.640 -13.305 11.636 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.889 -12.488 13.656 1.00 1.63 H new ATOM 0 HE22 GLN A 4 12.803 -12.761 15.143 1.00 1.63 H new ATOM 57 N SER A 5 15.740 -13.243 7.999 1.00 0.71 N ATOM 58 CA SER A 5 15.304 -12.830 6.675 1.00 0.76 C ATOM 59 C SER A 5 14.014 -13.559 6.300 1.00 0.73 C ATOM 60 O SER A 5 14.035 -14.562 5.589 1.00 1.11 O ATOM 61 CB SER A 5 16.402 -13.129 5.653 1.00 0.98 C ATOM 62 OG SER A 5 17.687 -12.925 6.222 1.00 1.18 O ATOM 0 H SER A 5 16.480 -13.945 7.998 1.00 0.71 H new ATOM 0 HA SER A 5 15.109 -11.758 6.678 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.312 -14.158 5.306 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.279 -12.487 4.781 1.00 0.98 H new ATOM 0 HG SER A 5 18.376 -13.123 5.554 1.00 1.18 H new ATOM 68 N ASP A 6 12.896 -13.059 6.799 1.00 0.62 N ATOM 69 CA ASP A 6 11.601 -13.672 6.534 1.00 0.68 C ATOM 70 C ASP A 6 10.950 -13.070 5.296 1.00 0.58 C ATOM 71 O ASP A 6 10.608 -11.884 5.276 1.00 0.80 O ATOM 72 CB ASP A 6 10.682 -13.510 7.745 1.00 0.89 C ATOM 73 CG ASP A 6 9.397 -14.294 7.602 1.00 1.54 C ATOM 74 OD1 ASP A 6 9.455 -15.542 7.589 1.00 1.98 O ATOM 75 OD2 ASP A 6 8.326 -13.666 7.511 1.00 2.18 O ATOM 0 H ASP A 6 12.857 -12.229 7.391 1.00 0.62 H new ATOM 0 HA ASP A 6 11.762 -14.734 6.349 1.00 0.68 H new ATOM 0 HB2 ASP A 6 11.207 -13.838 8.642 1.00 0.89 H new ATOM 0 HB3 ASP A 6 10.447 -12.454 7.881 1.00 0.89 H new ATOM 80 N LYS A 7 10.803 -13.891 4.262 1.00 0.54 N ATOM 81 CA LYS A 7 10.197 -13.464 3.006 1.00 0.58 C ATOM 82 C LYS A 7 8.936 -14.276 2.726 1.00 0.53 C ATOM 83 O LYS A 7 9.004 -15.491 2.514 1.00 0.85 O ATOM 84 CB LYS A 7 11.187 -13.641 1.846 1.00 0.81 C ATOM 85 CG LYS A 7 12.599 -13.163 2.156 1.00 1.05 C ATOM 86 CD LYS A 7 12.674 -11.648 2.276 1.00 1.24 C ATOM 87 CE LYS A 7 14.022 -11.202 2.824 1.00 1.58 C ATOM 88 NZ LYS A 7 14.137 -9.722 2.872 1.00 1.91 N ATOM 0 H LYS A 7 11.099 -14.867 4.270 1.00 0.54 H new ATOM 0 HA LYS A 7 9.935 -12.410 3.093 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.224 -14.695 1.571 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.814 -13.098 0.978 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.940 -13.618 3.086 1.00 1.05 H new ATOM 0 HG3 LYS A 7 13.276 -13.499 1.370 1.00 1.05 H new ATOM 0 HD2 LYS A 7 12.509 -11.195 1.298 1.00 1.24 H new ATOM 0 HD3 LYS A 7 11.878 -11.293 2.930 1.00 1.24 H new ATOM 0 HE2 LYS A 7 14.160 -11.610 3.825 1.00 1.58 H new ATOM 0 HE3 LYS A 7 14.819 -11.608 2.202 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 15.069 -9.458 3.251 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 14.031 -9.334 1.913 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 13.392 -9.336 3.486 1.00 1.91 H new ATOM 102 N ASP A 8 7.792 -13.607 2.722 1.00 0.50 N ATOM 103 CA ASP A 8 6.514 -14.271 2.475 1.00 0.54 C ATOM 104 C ASP A 8 5.582 -13.343 1.700 1.00 0.51 C ATOM 105 O ASP A 8 5.974 -12.236 1.327 1.00 0.83 O ATOM 106 CB ASP A 8 5.870 -14.692 3.804 1.00 0.75 C ATOM 107 CG ASP A 8 4.993 -15.924 3.670 1.00 1.00 C ATOM 108 OD1 ASP A 8 3.786 -15.775 3.386 1.00 1.44 O ATOM 109 OD2 ASP A 8 5.504 -17.048 3.857 1.00 1.72 O ATOM 0 H ASP A 8 7.720 -12.603 2.887 1.00 0.50 H new ATOM 0 HA ASP A 8 6.690 -15.165 1.877 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.654 -14.888 4.536 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.272 -13.866 4.190 1.00 0.75 H new ATOM 114 N VAL A 9 4.353 -13.789 1.465 1.00 0.39 N ATOM 115 CA VAL A 9 3.373 -13.000 0.728 1.00 0.35 C ATOM 116 C VAL A 9 1.949 -13.327 1.191 1.00 0.33 C ATOM 117 O VAL A 9 1.421 -14.408 0.922 1.00 0.44 O ATOM 118 CB VAL A 9 3.512 -13.210 -0.806 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.522 -14.692 -1.173 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.411 -12.473 -1.560 1.00 0.47 C ATOM 0 H VAL A 9 4.010 -14.698 1.776 1.00 0.39 H new ATOM 0 HA VAL A 9 3.571 -11.949 0.940 1.00 0.35 H new ATOM 0 HB VAL A 9 4.472 -12.790 -1.106 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.621 -14.799 -2.253 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.362 -15.183 -0.682 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.590 -15.154 -0.846 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.531 -12.636 -2.631 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.438 -12.849 -1.243 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.475 -11.406 -1.346 1.00 0.47 H new ATOM 130 N LYS A 10 1.340 -12.396 1.911 1.00 0.30 N ATOM 131 CA LYS A 10 -0.014 -12.585 2.419 1.00 0.34 C ATOM 132 C LYS A 10 -1.028 -11.846 1.547 1.00 0.34 C ATOM 133 O LYS A 10 -0.951 -10.630 1.386 1.00 0.48 O ATOM 134 CB LYS A 10 -0.089 -12.088 3.865 1.00 0.42 C ATOM 135 CG LYS A 10 -1.279 -12.628 4.646 1.00 0.93 C ATOM 136 CD LYS A 10 -1.140 -12.351 6.137 1.00 0.98 C ATOM 137 CE LYS A 10 0.045 -13.092 6.736 1.00 1.27 C ATOM 138 NZ LYS A 10 0.218 -12.804 8.185 1.00 1.97 N ATOM 0 H LYS A 10 1.761 -11.500 2.158 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.258 -13.647 2.390 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.829 -12.368 4.382 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.134 -10.999 3.862 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -2.197 -12.172 4.274 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -1.367 -13.702 4.481 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -1.020 -11.280 6.299 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -2.054 -12.650 6.650 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -0.091 -14.164 6.595 1.00 1.27 H new ATOM 0 HE3 LYS A 10 0.953 -12.813 6.202 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 1.038 -13.331 8.548 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 0.374 -11.785 8.320 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -0.637 -13.094 8.701 1.00 1.97 H new ATOM 152 N TYR A 11 -1.966 -12.580 0.973 1.00 0.34 N ATOM 153 CA TYR A 11 -2.981 -11.978 0.119 1.00 0.35 C ATOM 154 C TYR A 11 -4.095 -11.366 0.955 1.00 0.33 C ATOM 155 O TYR A 11 -4.876 -12.076 1.585 1.00 0.39 O ATOM 156 CB TYR A 11 -3.553 -13.014 -0.847 1.00 0.43 C ATOM 157 CG TYR A 11 -2.687 -13.240 -2.067 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.424 -13.808 -1.953 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.130 -12.873 -3.329 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.630 -14.007 -3.065 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.340 -13.065 -4.443 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.092 -13.633 -4.306 1.00 0.83 C ATOM 163 OH TYR A 11 -0.299 -13.817 -5.413 1.00 1.03 O ATOM 0 H TYR A 11 -2.048 -13.591 1.081 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.509 -11.185 -0.461 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.680 -13.960 -0.320 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.544 -12.692 -1.168 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.058 -14.098 -0.979 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -4.109 -12.430 -3.441 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.348 -14.454 -2.961 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.698 -12.771 -5.419 1.00 0.95 H new ATOM 0 HH TYR A 11 -0.063 -12.946 -5.795 1.00 1.03 H new ATOM 173 N TYR A 12 -4.161 -10.046 0.956 1.00 0.37 N ATOM 174 CA TYR A 12 -5.172 -9.330 1.716 1.00 0.41 C ATOM 175 C TYR A 12 -6.334 -8.921 0.822 1.00 0.42 C ATOM 176 O TYR A 12 -6.206 -8.881 -0.401 1.00 0.45 O ATOM 177 CB TYR A 12 -4.574 -8.076 2.356 1.00 0.45 C ATOM 178 CG TYR A 12 -3.546 -8.347 3.432 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.935 -8.724 4.710 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.186 -8.214 3.173 1.00 0.70 C ATOM 181 CE1 TYR A 12 -3.001 -8.961 5.700 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.246 -8.449 4.159 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.658 -8.823 5.420 1.00 0.82 C ATOM 184 OH TYR A 12 -0.728 -9.059 6.406 1.00 1.02 O ATOM 0 H TYR A 12 -3.522 -9.445 0.436 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.536 -10.001 2.495 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.113 -7.470 1.576 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.382 -7.483 2.785 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.986 -8.834 4.934 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.859 -7.922 2.186 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -3.321 -9.253 6.689 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.194 -8.340 3.942 1.00 0.82 H new ATOM 0 HH TYR A 12 0.173 -8.919 6.046 1.00 1.02 H new ATOM 194 N THR A 13 -7.467 -8.631 1.435 1.00 0.47 N ATOM 195 CA THR A 13 -8.636 -8.195 0.702 1.00 0.51 C ATOM 196 C THR A 13 -8.691 -6.671 0.691 1.00 0.47 C ATOM 197 O THR A 13 -8.121 -6.022 1.574 1.00 0.46 O ATOM 198 CB THR A 13 -9.919 -8.764 1.326 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.587 -9.528 2.494 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.656 -9.649 0.333 1.00 0.86 C ATOM 0 H THR A 13 -7.600 -8.691 2.444 1.00 0.47 H new ATOM 0 HA THR A 13 -8.564 -8.565 -0.321 1.00 0.51 H new ATOM 0 HB THR A 13 -10.569 -7.933 1.600 1.00 0.62 H new ATOM 0 HG1 THR A 13 -9.745 -8.986 3.295 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.561 -10.041 0.797 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.923 -9.064 -0.547 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.013 -10.477 0.037 1.00 0.86 H new ATOM 208 N LEU A 14 -9.369 -6.107 -0.299 1.00 0.50 N ATOM 209 CA LEU A 14 -9.480 -4.658 -0.431 1.00 0.51 C ATOM 210 C LEU A 14 -10.072 -4.014 0.825 1.00 0.48 C ATOM 211 O LEU A 14 -9.557 -3.012 1.319 1.00 0.51 O ATOM 212 CB LEU A 14 -10.342 -4.308 -1.644 1.00 0.58 C ATOM 213 CG LEU A 14 -10.284 -2.843 -2.079 1.00 0.73 C ATOM 214 CD1 LEU A 14 -8.984 -2.550 -2.805 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.473 -2.499 -2.956 1.00 0.95 C ATOM 0 H LEU A 14 -9.853 -6.633 -1.027 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.473 -4.263 -0.566 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.033 -4.932 -2.482 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.378 -4.564 -1.420 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.324 -2.220 -1.185 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -8.963 -1.503 -3.106 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.143 -2.754 -2.142 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -8.911 -3.183 -3.689 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.414 -1.453 -3.255 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.465 -3.131 -3.844 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.396 -2.666 -2.400 1.00 0.95 H new ATOM 227 N GLU A 15 -11.130 -4.612 1.354 1.00 0.50 N ATOM 228 CA GLU A 15 -11.804 -4.083 2.538 1.00 0.53 C ATOM 229 C GLU A 15 -10.940 -4.190 3.799 1.00 0.51 C ATOM 230 O GLU A 15 -11.203 -3.509 4.792 1.00 0.61 O ATOM 231 CB GLU A 15 -13.143 -4.798 2.752 1.00 0.61 C ATOM 232 CG GLU A 15 -13.035 -6.315 2.813 1.00 0.67 C ATOM 233 CD GLU A 15 -13.269 -6.977 1.468 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.420 -6.820 0.566 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.301 -7.664 1.310 1.00 1.05 O ATOM 0 H GLU A 15 -11.544 -5.467 0.983 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.983 -3.023 2.358 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.590 -4.439 3.679 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.822 -4.525 1.944 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.046 -6.590 3.181 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.760 -6.697 3.532 1.00 0.67 H new ATOM 242 N GLU A 16 -9.910 -5.023 3.757 1.00 0.46 N ATOM 243 CA GLU A 16 -9.036 -5.202 4.908 1.00 0.50 C ATOM 244 C GLU A 16 -7.913 -4.169 4.922 1.00 0.46 C ATOM 245 O GLU A 16 -7.580 -3.617 5.973 1.00 0.51 O ATOM 246 CB GLU A 16 -8.440 -6.611 4.919 1.00 0.58 C ATOM 247 CG GLU A 16 -9.074 -7.538 5.944 1.00 1.05 C ATOM 248 CD GLU A 16 -10.495 -7.921 5.587 1.00 1.60 C ATOM 249 OE1 GLU A 16 -10.746 -8.242 4.409 1.00 2.32 O ATOM 250 OE2 GLU A 16 -11.363 -7.914 6.485 1.00 2.19 O ATOM 0 H GLU A 16 -9.660 -5.583 2.942 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.643 -5.062 5.802 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -8.552 -7.050 3.928 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.371 -6.541 5.118 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -8.470 -8.441 6.033 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -9.067 -7.052 6.920 1.00 1.05 H new ATOM 257 N ILE A 17 -7.329 -3.904 3.760 1.00 0.42 N ATOM 258 CA ILE A 17 -6.226 -2.950 3.674 1.00 0.44 C ATOM 259 C ILE A 17 -6.695 -1.499 3.804 1.00 0.43 C ATOM 260 O ILE A 17 -6.029 -0.686 4.447 1.00 0.48 O ATOM 261 CB ILE A 17 -5.397 -3.119 2.377 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.294 -3.200 1.139 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.520 -4.357 2.469 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.480 -1.872 0.440 1.00 0.98 C ATOM 0 H ILE A 17 -7.595 -4.330 2.872 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.582 -3.178 4.523 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.764 -2.238 2.273 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -5.866 -3.915 0.436 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.270 -3.587 1.432 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -3.943 -4.463 1.550 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.840 -4.259 3.315 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.147 -5.238 2.607 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.126 -2.005 -0.428 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -6.937 -1.160 1.127 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.511 -1.493 0.116 1.00 0.98 H new ATOM 276 N LYS A 18 -7.859 -1.184 3.239 1.00 0.42 N ATOM 277 CA LYS A 18 -8.385 0.180 3.294 1.00 0.48 C ATOM 278 C LYS A 18 -8.998 0.485 4.658 1.00 0.50 C ATOM 279 O LYS A 18 -9.620 1.526 4.850 1.00 0.63 O ATOM 280 CB LYS A 18 -9.423 0.411 2.188 1.00 0.56 C ATOM 281 CG LYS A 18 -10.708 -0.382 2.372 1.00 0.53 C ATOM 282 CD LYS A 18 -11.930 0.415 1.934 1.00 0.87 C ATOM 283 CE LYS A 18 -11.851 0.823 0.469 1.00 1.05 C ATOM 284 NZ LYS A 18 -13.043 1.607 0.050 1.00 1.48 N ATOM 0 H LYS A 18 -8.452 -1.848 2.742 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.547 0.859 3.136 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.666 1.473 2.147 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.980 0.148 1.227 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.651 -1.306 1.797 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.814 -0.665 3.419 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.828 -0.181 2.096 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -12.022 1.307 2.554 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.950 1.415 0.304 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.765 -0.068 -0.153 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -12.953 1.867 -0.953 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -13.900 1.033 0.184 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -13.111 2.470 0.626 1.00 1.48 H new ATOM 298 N LYS A 19 -8.832 -0.430 5.603 1.00 0.47 N ATOM 299 CA LYS A 19 -9.366 -0.231 6.943 1.00 0.53 C ATOM 300 C LYS A 19 -8.237 -0.240 7.966 1.00 0.54 C ATOM 301 O LYS A 19 -8.466 -0.106 9.166 1.00 0.67 O ATOM 302 CB LYS A 19 -10.388 -1.322 7.279 1.00 0.60 C ATOM 303 CG LYS A 19 -11.362 -0.941 8.388 1.00 0.84 C ATOM 304 CD LYS A 19 -12.381 0.087 7.917 1.00 1.09 C ATOM 305 CE LYS A 19 -13.278 -0.463 6.816 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.447 0.418 6.557 1.00 1.68 N ATOM 0 H LYS A 19 -8.336 -1.311 5.468 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.865 0.737 6.976 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.954 -1.564 6.380 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.855 -2.226 7.573 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.881 -1.833 8.738 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.808 -0.541 9.237 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -12.995 0.403 8.761 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.861 0.973 7.552 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -12.699 -0.576 5.899 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -13.628 -1.457 7.096 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.031 0.007 5.801 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -15.015 0.506 7.424 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.114 1.359 6.264 1.00 1.68 H new ATOM 320 N HIS A 20 -7.011 -0.389 7.484 1.00 0.55 N ATOM 321 CA HIS A 20 -5.850 -0.424 8.365 1.00 0.59 C ATOM 322 C HIS A 20 -5.025 0.846 8.222 1.00 0.58 C ATOM 323 O HIS A 20 -4.086 1.077 8.980 1.00 0.66 O ATOM 324 CB HIS A 20 -4.985 -1.653 8.069 1.00 0.68 C ATOM 325 CG HIS A 20 -5.385 -2.872 8.845 1.00 0.74 C ATOM 326 ND1 HIS A 20 -6.372 -3.741 8.432 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.921 -3.364 10.019 1.00 0.98 C ATOM 328 CE1 HIS A 20 -6.500 -4.710 9.320 1.00 1.07 C ATOM 329 NE2 HIS A 20 -5.629 -4.508 10.289 1.00 1.13 N ATOM 0 H HIS A 20 -6.794 -0.487 6.492 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.208 -0.489 9.392 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.040 -1.877 7.004 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.945 -1.416 8.292 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.918 -3.650 7.575 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -4.139 -2.936 10.629 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -7.200 -5.530 9.262 1.00 1.07 H new ATOM 338 N ASN A 21 -5.406 1.680 7.268 1.00 0.58 N ATOM 339 CA ASN A 21 -4.705 2.935 7.001 1.00 0.61 C ATOM 340 C ASN A 21 -5.011 3.981 8.076 1.00 0.60 C ATOM 341 O ASN A 21 -5.741 4.944 7.844 1.00 0.75 O ATOM 342 CB ASN A 21 -5.078 3.463 5.602 1.00 0.72 C ATOM 343 CG ASN A 21 -6.579 3.652 5.397 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.400 3.083 6.115 1.00 0.96 O ATOM 345 ND2 ASN A 21 -6.946 4.433 4.392 1.00 0.88 N ATOM 0 H ASN A 21 -6.205 1.512 6.657 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.633 2.740 7.028 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.575 4.416 5.437 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.702 2.770 4.850 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -7.936 4.578 4.194 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.239 4.890 3.816 1.00 0.88 H new ATOM 352 N HIS A 22 -4.443 3.789 9.260 1.00 0.64 N ATOM 353 CA HIS A 22 -4.664 4.712 10.366 1.00 0.76 C ATOM 354 C HIS A 22 -3.384 5.466 10.723 1.00 0.88 C ATOM 355 O HIS A 22 -3.236 6.635 10.375 1.00 1.61 O ATOM 356 CB HIS A 22 -5.205 3.973 11.597 1.00 0.83 C ATOM 357 CG HIS A 22 -6.570 3.385 11.408 1.00 0.87 C ATOM 358 ND1 HIS A 22 -7.718 3.966 11.894 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.963 2.252 10.782 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.758 3.217 11.578 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.326 2.168 10.903 1.00 1.09 N ATOM 0 H HIS A 22 -3.828 3.005 9.479 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.409 5.439 10.042 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.511 3.175 11.862 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -5.233 4.664 12.439 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.321 1.544 10.279 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -9.787 3.427 11.829 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -8.910 1.418 10.532 1.00 1.09 H new ATOM 370 N SER A 23 -2.457 4.804 11.409 1.00 0.60 N ATOM 371 CA SER A 23 -1.209 5.456 11.797 1.00 0.62 C ATOM 372 C SER A 23 -0.020 4.492 11.799 1.00 0.52 C ATOM 373 O SER A 23 1.018 4.780 11.201 1.00 0.62 O ATOM 374 CB SER A 23 -1.374 6.087 13.178 1.00 0.84 C ATOM 375 OG SER A 23 -2.185 5.272 14.011 1.00 1.32 O ATOM 0 H SER A 23 -2.543 3.831 11.704 1.00 0.60 H new ATOM 0 HA SER A 23 -0.994 6.225 11.055 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.396 6.226 13.639 1.00 0.84 H new ATOM 0 HB3 SER A 23 -1.823 7.075 13.080 1.00 0.84 H new ATOM 0 HG SER A 23 -2.277 5.693 14.891 1.00 1.32 H new ATOM 381 N LYS A 24 -0.168 3.352 12.463 1.00 0.51 N ATOM 382 CA LYS A 24 0.914 2.371 12.540 1.00 0.51 C ATOM 383 C LYS A 24 0.640 1.155 11.655 1.00 0.44 C ATOM 384 O LYS A 24 1.268 0.106 11.807 1.00 0.45 O ATOM 385 CB LYS A 24 1.154 1.937 13.993 1.00 0.71 C ATOM 386 CG LYS A 24 -0.111 1.539 14.744 1.00 0.97 C ATOM 387 CD LYS A 24 0.182 1.207 16.200 1.00 1.41 C ATOM 388 CE LYS A 24 0.681 2.425 16.961 1.00 1.88 C ATOM 389 NZ LYS A 24 0.944 2.116 18.391 1.00 2.36 N ATOM 0 H LYS A 24 -1.020 3.083 12.954 1.00 0.51 H new ATOM 0 HA LYS A 24 1.817 2.854 12.167 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.847 1.095 13.999 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.639 2.753 14.529 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -0.835 2.352 14.694 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.567 0.676 14.258 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -0.721 0.825 16.676 1.00 1.41 H new ATOM 0 HD3 LYS A 24 0.929 0.415 16.250 1.00 1.41 H new ATOM 0 HE2 LYS A 24 1.595 2.795 16.496 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -0.057 3.224 16.892 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 1.282 2.972 18.875 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 0.066 1.787 18.842 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 1.667 1.372 18.458 1.00 2.36 H new ATOM 403 N SER A 25 -0.301 1.305 10.738 1.00 0.43 N ATOM 404 CA SER A 25 -0.653 0.237 9.811 1.00 0.42 C ATOM 405 C SER A 25 -0.926 0.827 8.427 1.00 0.42 C ATOM 406 O SER A 25 -1.689 0.276 7.633 1.00 0.50 O ATOM 407 CB SER A 25 -1.880 -0.520 10.326 1.00 0.48 C ATOM 408 OG SER A 25 -1.802 -0.729 11.731 1.00 0.83 O ATOM 0 H SER A 25 -0.840 2.162 10.614 1.00 0.43 H new ATOM 0 HA SER A 25 0.177 -0.465 9.735 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.783 0.042 10.089 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.959 -1.480 9.816 1.00 0.48 H new ATOM 0 HG SER A 25 -2.598 -1.213 12.034 1.00 0.83 H new ATOM 414 N THR A 26 -0.281 1.955 8.157 1.00 0.42 N ATOM 415 CA THR A 26 -0.433 2.664 6.896 1.00 0.43 C ATOM 416 C THR A 26 0.240 1.912 5.749 1.00 0.36 C ATOM 417 O THR A 26 1.469 1.893 5.640 1.00 0.41 O ATOM 418 CB THR A 26 0.166 4.075 7.016 1.00 0.51 C ATOM 419 OG1 THR A 26 -0.142 4.613 8.312 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.381 4.995 5.939 1.00 0.56 C ATOM 0 H THR A 26 0.363 2.403 8.808 1.00 0.42 H new ATOM 0 HA THR A 26 -1.498 2.735 6.675 1.00 0.43 H new ATOM 0 HB THR A 26 1.246 4.005 6.887 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.535 4.320 8.957 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.060 5.986 6.048 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.132 4.593 4.957 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.464 5.067 6.038 1.00 0.56 H new ATOM 428 N TRP A 27 -0.570 1.290 4.901 1.00 0.35 N ATOM 429 CA TRP A 27 -0.055 0.534 3.771 1.00 0.33 C ATOM 430 C TRP A 27 -0.496 1.156 2.451 1.00 0.32 C ATOM 431 O TRP A 27 -1.604 1.688 2.339 1.00 0.36 O ATOM 432 CB TRP A 27 -0.532 -0.920 3.836 1.00 0.38 C ATOM 433 CG TRP A 27 -0.052 -1.660 5.049 1.00 0.40 C ATOM 434 CD1 TRP A 27 1.105 -1.438 5.736 1.00 0.43 C ATOM 435 CD2 TRP A 27 -0.712 -2.744 5.714 1.00 0.48 C ATOM 436 NE1 TRP A 27 1.208 -2.314 6.788 1.00 0.48 N ATOM 437 CE2 TRP A 27 0.102 -3.126 6.798 1.00 0.52 C ATOM 438 CE3 TRP A 27 -1.915 -3.425 5.501 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.249 -4.161 7.664 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.261 -4.450 6.360 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.431 -4.811 7.428 1.00 0.71 C ATOM 0 H TRP A 27 -1.587 1.296 4.976 1.00 0.35 H new ATOM 0 HA TRP A 27 1.033 0.558 3.824 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.622 -0.936 3.819 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.192 -1.445 2.943 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.835 -0.682 5.488 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.980 -2.355 7.453 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.562 -3.154 4.680 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 0.388 -4.440 8.490 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.188 -4.982 6.205 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -1.729 -5.619 8.079 1.00 0.71 H new ATOM 452 N LEU A 28 0.381 1.097 1.462 1.00 0.32 N ATOM 453 CA LEU A 28 0.084 1.623 0.135 1.00 0.33 C ATOM 454 C LEU A 28 0.105 0.485 -0.874 1.00 0.32 C ATOM 455 O LEU A 28 0.820 -0.502 -0.688 1.00 0.32 O ATOM 456 CB LEU A 28 1.097 2.699 -0.283 1.00 0.36 C ATOM 457 CG LEU A 28 0.744 4.138 0.110 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.566 4.579 1.308 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.965 5.080 -1.066 1.00 0.99 C ATOM 0 H LEU A 28 1.311 0.688 1.552 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.904 2.083 0.164 1.00 0.33 H new ATOM 0 HB2 LEU A 28 2.064 2.450 0.154 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.217 2.657 -1.366 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.310 4.172 0.385 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.302 5.603 1.573 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.360 3.921 2.152 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.626 4.530 1.060 1.00 0.85 H new ATOM 0 HD21 LEU A 28 0.710 6.098 -0.770 1.00 0.99 H new ATOM 0 HD22 LEU A 28 2.011 5.042 -1.371 1.00 0.99 H new ATOM 0 HD23 LEU A 28 0.333 4.775 -1.900 1.00 0.99 H new ATOM 471 N ILE A 29 -0.685 0.606 -1.928 1.00 0.35 N ATOM 472 CA ILE A 29 -0.730 -0.421 -2.952 1.00 0.36 C ATOM 473 C ILE A 29 -0.006 0.046 -4.209 1.00 0.36 C ATOM 474 O ILE A 29 -0.306 1.106 -4.760 1.00 0.39 O ATOM 475 CB ILE A 29 -2.177 -0.823 -3.312 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.942 -1.276 -2.068 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.179 -1.923 -4.363 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.419 -1.473 -2.321 1.00 0.80 C ATOM 0 H ILE A 29 -1.301 1.402 -2.095 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.229 -1.298 -2.542 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.679 0.053 -3.723 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.514 -2.210 -1.705 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.810 -0.537 -1.278 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.207 -2.194 -4.604 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.676 -1.568 -5.263 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.655 -2.797 -3.976 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -4.906 -1.794 -1.400 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.859 -0.534 -2.656 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.558 -2.233 -3.090 1.00 0.80 H new ATOM 490 N LEU A 30 0.969 -0.739 -4.632 1.00 0.34 N ATOM 491 CA LEU A 30 1.733 -0.437 -5.827 1.00 0.37 C ATOM 492 C LEU A 30 1.831 -1.689 -6.679 1.00 0.38 C ATOM 493 O LEU A 30 2.242 -2.740 -6.192 1.00 0.38 O ATOM 494 CB LEU A 30 3.136 0.069 -5.472 1.00 0.38 C ATOM 495 CG LEU A 30 3.192 1.398 -4.710 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.598 1.645 -4.183 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.741 2.548 -5.602 1.00 0.48 C ATOM 0 H LEU A 30 1.251 -1.598 -4.160 1.00 0.34 H new ATOM 0 HA LEU A 30 1.225 0.352 -6.381 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.636 -0.693 -4.874 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.707 0.176 -6.394 1.00 0.38 H new ATOM 0 HG LEU A 30 2.510 1.340 -3.861 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.623 2.592 -3.644 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.881 0.836 -3.509 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.298 1.684 -5.018 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.788 3.482 -5.043 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.395 2.612 -6.471 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.717 2.373 -5.931 1.00 0.48 H new ATOM 509 N HIS A 31 1.430 -1.576 -7.940 1.00 0.41 N ATOM 510 CA HIS A 31 1.452 -2.700 -8.875 1.00 0.43 C ATOM 511 C HIS A 31 0.500 -3.790 -8.389 1.00 0.42 C ATOM 512 O HIS A 31 0.703 -4.974 -8.658 1.00 0.45 O ATOM 513 CB HIS A 31 2.867 -3.288 -9.040 1.00 0.47 C ATOM 514 CG HIS A 31 3.953 -2.276 -9.268 1.00 0.66 C ATOM 515 ND1 HIS A 31 4.204 -1.690 -10.489 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.870 -1.764 -8.414 1.00 1.10 C ATOM 517 CE1 HIS A 31 5.228 -0.862 -10.376 1.00 1.22 C ATOM 518 NE2 HIS A 31 5.648 -0.887 -9.125 1.00 1.18 N ATOM 0 H HIS A 31 1.081 -0.707 -8.344 1.00 0.41 H new ATOM 0 HA HIS A 31 1.132 -2.326 -9.848 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.110 -3.865 -8.148 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.859 -3.985 -9.878 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.970 -2.002 -7.365 1.00 1.10 H new ATOM 0 HE1 HIS A 31 5.649 -0.266 -11.172 1.00 1.22 H new ATOM 0 HE2 HIS A 31 6.424 -0.343 -8.749 1.00 1.18 H new ATOM 527 N HIS A 32 -0.539 -3.363 -7.666 1.00 0.42 N ATOM 528 CA HIS A 32 -1.550 -4.268 -7.109 1.00 0.44 C ATOM 529 C HIS A 32 -0.969 -5.114 -5.974 1.00 0.40 C ATOM 530 O HIS A 32 -1.517 -6.159 -5.615 1.00 0.44 O ATOM 531 CB HIS A 32 -2.152 -5.174 -8.193 1.00 0.52 C ATOM 532 CG HIS A 32 -3.087 -4.464 -9.126 1.00 0.68 C ATOM 533 ND1 HIS A 32 -3.113 -4.691 -10.485 1.00 1.01 N ATOM 534 CD2 HIS A 32 -4.043 -3.534 -8.888 1.00 0.85 C ATOM 535 CE1 HIS A 32 -4.040 -3.936 -11.040 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.620 -3.224 -10.092 1.00 0.97 N ATOM 0 H HIS A 32 -0.704 -2.380 -7.450 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.349 -3.647 -6.703 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.343 -5.618 -8.773 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.686 -5.994 -7.713 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.302 -3.114 -7.927 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -4.284 -3.905 -12.092 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.375 -2.552 -10.232 1.00 0.97 H new ATOM 545 N LYS A 33 0.135 -4.646 -5.405 1.00 0.37 N ATOM 546 CA LYS A 33 0.797 -5.335 -4.306 1.00 0.37 C ATOM 547 C LYS A 33 0.751 -4.468 -3.053 1.00 0.33 C ATOM 548 O LYS A 33 0.722 -3.240 -3.147 1.00 0.36 O ATOM 549 CB LYS A 33 2.246 -5.660 -4.679 1.00 0.40 C ATOM 550 CG LYS A 33 2.374 -6.421 -5.988 1.00 0.57 C ATOM 551 CD LYS A 33 3.818 -6.517 -6.450 1.00 0.79 C ATOM 552 CE LYS A 33 3.913 -7.113 -7.847 1.00 0.94 C ATOM 553 NZ LYS A 33 3.645 -8.576 -7.854 1.00 1.02 N ATOM 0 H LYS A 33 0.595 -3.782 -5.691 1.00 0.37 H new ATOM 0 HA LYS A 33 0.276 -6.271 -4.107 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.813 -4.731 -4.750 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.696 -6.248 -3.879 1.00 0.40 H new ATOM 0 HG2 LYS A 33 1.965 -7.424 -5.866 1.00 0.57 H new ATOM 0 HG3 LYS A 33 1.780 -5.925 -6.756 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.271 -5.525 -6.444 1.00 0.79 H new ATOM 0 HD3 LYS A 33 4.386 -7.131 -5.751 1.00 0.79 H new ATOM 0 HE2 LYS A 33 3.201 -6.612 -8.503 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.907 -6.926 -8.253 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 3.452 -8.889 -8.827 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 4.475 -9.083 -7.485 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 2.820 -8.781 -7.255 1.00 1.02 H new ATOM 567 N VAL A 34 0.755 -5.103 -1.887 1.00 0.30 N ATOM 568 CA VAL A 34 0.688 -4.378 -0.622 1.00 0.30 C ATOM 569 C VAL A 34 2.084 -4.120 -0.066 1.00 0.27 C ATOM 570 O VAL A 34 2.851 -5.055 0.178 1.00 0.28 O ATOM 571 CB VAL A 34 -0.134 -5.147 0.438 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.480 -4.244 1.616 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.395 -5.735 -0.176 1.00 0.35 C ATOM 0 H VAL A 34 0.804 -6.117 -1.790 1.00 0.30 H new ATOM 0 HA VAL A 34 0.194 -3.430 -0.833 1.00 0.30 H new ATOM 0 HB VAL A 34 0.479 -5.969 0.808 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.058 -4.807 2.349 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.438 -3.882 2.079 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -1.068 -3.396 1.264 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -1.956 -6.271 0.589 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -2.010 -4.932 -0.582 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.123 -6.424 -0.976 1.00 0.35 H new ATOM 583 N TYR A 35 2.406 -2.850 0.135 1.00 0.28 N ATOM 584 CA TYR A 35 3.706 -2.463 0.663 1.00 0.28 C ATOM 585 C TYR A 35 3.559 -1.791 2.023 1.00 0.30 C ATOM 586 O TYR A 35 2.709 -0.915 2.202 1.00 0.32 O ATOM 587 CB TYR A 35 4.414 -1.519 -0.311 1.00 0.31 C ATOM 588 CG TYR A 35 4.885 -2.193 -1.580 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.098 -2.866 -1.621 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.118 -2.155 -2.738 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.535 -3.480 -2.779 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.550 -2.767 -3.900 1.00 0.47 C ATOM 593 CZ TYR A 35 5.759 -3.428 -3.914 1.00 0.41 C ATOM 594 OH TYR A 35 6.195 -4.033 -5.071 1.00 0.48 O ATOM 0 H TYR A 35 1.782 -2.067 -0.061 1.00 0.28 H new ATOM 0 HA TYR A 35 4.306 -3.365 0.785 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.736 -0.706 -0.572 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.271 -1.070 0.191 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.711 -2.911 -0.733 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.169 -1.639 -2.730 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.482 -3.999 -2.793 1.00 0.40 H new ATOM 0 HE2 TYR A 35 3.943 -2.727 -4.792 1.00 0.47 H new ATOM 0 HH TYR A 35 5.529 -3.904 -5.778 1.00 0.48 H new ATOM 604 N ASP A 36 4.385 -2.209 2.974 1.00 0.32 N ATOM 605 CA ASP A 36 4.354 -1.650 4.321 1.00 0.36 C ATOM 606 C ASP A 36 5.441 -0.604 4.492 1.00 0.38 C ATOM 607 O ASP A 36 6.631 -0.906 4.415 1.00 0.50 O ATOM 608 CB ASP A 36 4.522 -2.740 5.385 1.00 0.43 C ATOM 609 CG ASP A 36 4.867 -2.169 6.753 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.204 -1.200 7.188 1.00 0.90 O ATOM 611 OD2 ASP A 36 5.801 -2.695 7.399 1.00 1.28 O ATOM 0 H ASP A 36 5.087 -2.936 2.837 1.00 0.32 H new ATOM 0 HA ASP A 36 3.378 -1.183 4.455 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.601 -3.318 5.458 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.307 -3.429 5.074 1.00 0.43 H new ATOM 616 N LEU A 37 5.023 0.625 4.708 1.00 0.37 N ATOM 617 CA LEU A 37 5.950 1.720 4.899 1.00 0.43 C ATOM 618 C LEU A 37 5.405 2.667 5.956 1.00 0.37 C ATOM 619 O LEU A 37 5.732 3.854 5.980 1.00 0.40 O ATOM 620 CB LEU A 37 6.186 2.466 3.581 1.00 0.56 C ATOM 621 CG LEU A 37 4.961 3.170 2.991 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.384 4.427 2.244 1.00 0.86 C ATOM 623 CD2 LEU A 37 4.204 2.228 2.064 1.00 0.80 C ATOM 0 H LEU A 37 4.040 0.892 4.756 1.00 0.37 H new ATOM 0 HA LEU A 37 6.907 1.320 5.235 1.00 0.43 H new ATOM 0 HB2 LEU A 37 6.968 3.208 3.739 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.564 1.756 2.845 1.00 0.56 H new ATOM 0 HG LEU A 37 4.298 3.458 3.806 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.503 4.918 1.830 1.00 0.86 H new ATOM 0 HD12 LEU A 37 5.888 5.106 2.931 1.00 0.86 H new ATOM 0 HD13 LEU A 37 6.064 4.158 1.435 1.00 0.86 H new ATOM 0 HD21 LEU A 37 3.336 2.743 1.652 1.00 0.80 H new ATOM 0 HD22 LEU A 37 4.859 1.914 1.251 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.875 1.353 2.624 1.00 0.80 H new ATOM 635 N THR A 38 4.590 2.121 6.853 1.00 0.34 N ATOM 636 CA THR A 38 3.977 2.903 7.919 1.00 0.36 C ATOM 637 C THR A 38 5.034 3.482 8.864 1.00 0.38 C ATOM 638 O THR A 38 4.760 4.415 9.625 1.00 0.44 O ATOM 639 CB THR A 38 2.954 2.057 8.710 1.00 0.41 C ATOM 640 OG1 THR A 38 2.054 2.910 9.425 1.00 0.48 O ATOM 641 CG2 THR A 38 3.641 1.117 9.686 1.00 0.48 C ATOM 0 H THR A 38 4.338 1.133 6.862 1.00 0.34 H new ATOM 0 HA THR A 38 3.449 3.734 7.451 1.00 0.36 H new ATOM 0 HB THR A 38 2.399 1.457 7.989 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.550 3.415 10.103 1.00 0.48 H new ATOM 0 HG21 THR A 38 2.890 0.539 10.224 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.297 0.440 9.139 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.230 1.697 10.397 1.00 0.48 H new ATOM 649 N LYS A 39 6.238 2.924 8.816 1.00 0.39 N ATOM 650 CA LYS A 39 7.336 3.401 9.645 1.00 0.47 C ATOM 651 C LYS A 39 8.425 4.003 8.767 1.00 0.47 C ATOM 652 O LYS A 39 9.565 4.185 9.192 1.00 0.59 O ATOM 653 CB LYS A 39 7.899 2.266 10.505 1.00 0.56 C ATOM 654 CG LYS A 39 7.117 2.031 11.792 1.00 0.75 C ATOM 655 CD LYS A 39 7.233 3.221 12.734 1.00 0.92 C ATOM 656 CE LYS A 39 6.254 3.122 13.890 1.00 1.27 C ATOM 657 NZ LYS A 39 6.054 4.437 14.550 1.00 1.50 N ATOM 0 H LYS A 39 6.478 2.139 8.210 1.00 0.39 H new ATOM 0 HA LYS A 39 6.959 4.174 10.315 1.00 0.47 H new ATOM 0 HB2 LYS A 39 7.905 1.346 9.920 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.936 2.491 10.755 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.068 1.853 11.555 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.489 1.134 12.288 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.250 3.279 13.123 1.00 0.92 H new ATOM 0 HD3 LYS A 39 7.050 4.142 12.181 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.297 2.747 13.526 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.623 2.400 14.619 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 5.380 4.333 15.335 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 6.963 4.782 14.918 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 5.679 5.118 13.860 1.00 1.50 H new ATOM 671 N PHE A 40 8.048 4.313 7.535 1.00 0.40 N ATOM 672 CA PHE A 40 8.961 4.903 6.569 1.00 0.44 C ATOM 673 C PHE A 40 8.351 6.192 6.015 1.00 0.40 C ATOM 674 O PHE A 40 8.951 6.876 5.193 1.00 0.42 O ATOM 675 CB PHE A 40 9.237 3.895 5.441 1.00 0.52 C ATOM 676 CG PHE A 40 10.280 4.330 4.444 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.631 4.259 4.751 1.00 1.66 C ATOM 678 CD2 PHE A 40 9.905 4.801 3.192 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.584 4.650 3.831 1.00 2.39 C ATOM 680 CE2 PHE A 40 10.856 5.194 2.271 1.00 2.45 C ATOM 681 CZ PHE A 40 12.196 5.118 2.589 1.00 2.68 C ATOM 0 H PHE A 40 7.104 4.163 7.179 1.00 0.40 H new ATOM 0 HA PHE A 40 9.908 5.147 7.051 1.00 0.44 H new ATOM 0 HB2 PHE A 40 9.552 2.951 5.886 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.305 3.702 4.910 1.00 0.52 H new ATOM 0 HD1 PHE A 40 11.941 3.894 5.719 1.00 1.66 H new ATOM 0 HD2 PHE A 40 8.857 4.861 2.936 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.633 4.590 4.082 1.00 2.39 H new ATOM 0 HE2 PHE A 40 10.551 5.561 1.302 1.00 2.45 H new ATOM 0 HZ PHE A 40 12.941 5.423 1.869 1.00 2.68 H new ATOM 691 N LEU A 41 7.157 6.527 6.503 1.00 0.39 N ATOM 692 CA LEU A 41 6.440 7.726 6.064 1.00 0.43 C ATOM 693 C LEU A 41 7.281 8.981 6.272 1.00 0.44 C ATOM 694 O LEU A 41 7.402 9.814 5.378 1.00 0.47 O ATOM 695 CB LEU A 41 5.117 7.865 6.827 1.00 0.49 C ATOM 696 CG LEU A 41 4.180 6.656 6.749 1.00 0.48 C ATOM 697 CD1 LEU A 41 3.027 6.812 7.724 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.650 6.476 5.336 1.00 0.59 C ATOM 0 H LEU A 41 6.662 5.981 7.208 1.00 0.39 H new ATOM 0 HA LEU A 41 6.236 7.618 4.999 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.341 8.062 7.875 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.588 8.738 6.445 1.00 0.49 H new ATOM 0 HG LEU A 41 4.750 5.768 7.021 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.372 5.944 7.655 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.417 6.892 8.739 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.463 7.712 7.480 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.987 5.612 5.304 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.099 7.368 5.038 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.484 6.319 4.652 1.00 0.59 H new ATOM 710 N GLU A 42 7.868 9.100 7.457 1.00 0.49 N ATOM 711 CA GLU A 42 8.702 10.251 7.793 1.00 0.56 C ATOM 712 C GLU A 42 10.099 10.118 7.197 1.00 0.54 C ATOM 713 O GLU A 42 10.899 11.052 7.246 1.00 0.66 O ATOM 714 CB GLU A 42 8.798 10.408 9.311 1.00 0.67 C ATOM 715 CG GLU A 42 9.169 9.121 10.032 1.00 0.72 C ATOM 716 CD GLU A 42 9.275 9.305 11.530 1.00 0.93 C ATOM 717 OE1 GLU A 42 10.278 9.887 11.991 1.00 1.50 O ATOM 718 OE2 GLU A 42 8.356 8.865 12.255 1.00 1.40 O ATOM 0 H GLU A 42 7.782 8.412 8.205 1.00 0.49 H new ATOM 0 HA GLU A 42 8.234 11.138 7.366 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.540 11.172 9.543 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.842 10.766 9.692 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.421 8.358 9.815 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.120 8.754 9.646 1.00 0.72 H new ATOM 725 N GLU A 43 10.387 8.954 6.637 1.00 0.48 N ATOM 726 CA GLU A 43 11.685 8.693 6.032 1.00 0.50 C ATOM 727 C GLU A 43 11.610 8.880 4.523 1.00 0.43 C ATOM 728 O GLU A 43 12.610 8.747 3.815 1.00 0.54 O ATOM 729 CB GLU A 43 12.148 7.271 6.352 1.00 0.58 C ATOM 730 CG GLU A 43 12.412 7.028 7.827 1.00 0.76 C ATOM 731 CD GLU A 43 13.512 7.912 8.382 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.354 8.398 7.593 1.00 1.46 O ATOM 733 OE2 GLU A 43 13.536 8.128 9.611 1.00 1.56 O ATOM 0 H GLU A 43 9.736 8.170 6.588 1.00 0.48 H new ATOM 0 HA GLU A 43 12.404 9.400 6.445 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.391 6.567 6.007 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.058 7.061 5.790 1.00 0.58 H new ATOM 0 HG2 GLU A 43 11.494 7.202 8.389 1.00 0.76 H new ATOM 0 HG3 GLU A 43 12.683 5.983 7.975 1.00 0.76 H new ATOM 740 N HIS A 44 10.415 9.183 4.045 1.00 0.43 N ATOM 741 CA HIS A 44 10.182 9.385 2.625 1.00 0.39 C ATOM 742 C HIS A 44 10.455 10.833 2.233 1.00 0.43 C ATOM 743 O HIS A 44 9.848 11.759 2.779 1.00 0.51 O ATOM 744 CB HIS A 44 8.742 9.003 2.277 1.00 0.41 C ATOM 745 CG HIS A 44 8.415 9.127 0.822 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.565 10.082 0.306 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.838 8.390 -0.236 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.500 9.899 -1.018 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.254 8.887 -1.396 1.00 0.41 N ATOM 0 H HIS A 44 9.584 9.295 4.626 1.00 0.43 H new ATOM 0 HA HIS A 44 10.866 8.747 2.065 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.563 7.975 2.593 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.061 9.635 2.847 1.00 0.41 H new ATOM 0 HD1 HIS A 44 7.073 10.800 0.838 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.518 7.553 -0.185 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.907 10.502 -1.689 1.00 0.40 H new ATOM 757 N PRO A 45 11.385 11.051 1.290 1.00 0.44 N ATOM 758 CA PRO A 45 11.729 12.392 0.826 1.00 0.53 C ATOM 759 C PRO A 45 10.566 13.047 0.087 1.00 0.62 C ATOM 760 O PRO A 45 10.126 12.565 -0.957 1.00 1.11 O ATOM 761 CB PRO A 45 12.919 12.161 -0.113 1.00 0.58 C ATOM 762 CG PRO A 45 12.814 10.739 -0.534 1.00 0.56 C ATOM 763 CD PRO A 45 12.171 10.007 0.609 1.00 0.44 C ATOM 0 HA PRO A 45 11.963 13.068 1.649 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.878 12.830 -0.973 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.864 12.352 0.395 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.217 10.645 -1.441 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.798 10.326 -0.756 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.537 9.193 0.258 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.915 9.568 1.273 1.00 0.44 H new ATOM 771 N GLY A 46 10.068 14.135 0.644 1.00 0.75 N ATOM 772 CA GLY A 46 8.961 14.839 0.042 1.00 0.82 C ATOM 773 C GLY A 46 7.845 15.073 1.033 1.00 0.83 C ATOM 774 O GLY A 46 7.136 16.072 0.953 1.00 1.38 O ATOM 0 H GLY A 46 10.414 14.547 1.511 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.307 15.796 -0.349 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.582 14.266 -0.805 1.00 0.82 H new ATOM 778 N GLY A 47 7.691 14.157 1.979 1.00 0.66 N ATOM 779 CA GLY A 47 6.652 14.296 2.979 1.00 0.67 C ATOM 780 C GLY A 47 5.774 13.068 3.079 1.00 0.60 C ATOM 781 O GLY A 47 5.867 12.158 2.251 1.00 0.64 O ATOM 0 H GLY A 47 8.267 13.320 2.072 1.00 0.66 H new ATOM 0 HA2 GLY A 47 7.110 14.491 3.949 1.00 0.67 H new ATOM 0 HA3 GLY A 47 6.034 15.161 2.738 1.00 0.67 H new ATOM 785 N GLU A 48 4.917 13.053 4.089 1.00 0.61 N ATOM 786 CA GLU A 48 4.015 11.936 4.321 1.00 0.63 C ATOM 787 C GLU A 48 2.603 12.260 3.841 1.00 0.63 C ATOM 788 O GLU A 48 1.766 11.368 3.717 1.00 0.65 O ATOM 789 CB GLU A 48 3.986 11.586 5.809 1.00 0.76 C ATOM 790 CG GLU A 48 3.529 12.736 6.692 1.00 0.95 C ATOM 791 CD GLU A 48 3.407 12.345 8.148 1.00 1.21 C ATOM 792 OE1 GLU A 48 2.356 11.786 8.533 1.00 1.79 O ATOM 793 OE2 GLU A 48 4.354 12.605 8.919 1.00 1.86 O ATOM 0 H GLU A 48 4.828 13.810 4.767 1.00 0.61 H new ATOM 0 HA GLU A 48 4.383 11.082 3.753 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.322 10.735 5.961 1.00 0.76 H new ATOM 0 HB3 GLU A 48 4.983 11.273 6.120 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.235 13.561 6.600 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.565 13.100 6.336 1.00 0.95 H new ATOM 800 N GLU A 49 2.348 13.540 3.571 1.00 0.66 N ATOM 801 CA GLU A 49 1.034 13.990 3.113 1.00 0.74 C ATOM 802 C GLU A 49 0.607 13.246 1.849 1.00 0.68 C ATOM 803 O GLU A 49 -0.543 12.824 1.718 1.00 0.72 O ATOM 804 CB GLU A 49 1.057 15.496 2.850 1.00 0.86 C ATOM 805 CG GLU A 49 -0.314 16.152 2.937 1.00 1.10 C ATOM 806 CD GLU A 49 -0.837 16.240 4.359 1.00 1.32 C ATOM 807 OE1 GLU A 49 -0.122 16.792 5.223 1.00 1.81 O ATOM 808 OE2 GLU A 49 -1.963 15.759 4.620 1.00 1.69 O ATOM 0 H GLU A 49 3.037 14.286 3.662 1.00 0.66 H new ATOM 0 HA GLU A 49 0.309 13.773 3.898 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.724 15.972 3.569 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.475 15.677 1.860 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -0.259 17.155 2.513 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.021 15.587 2.329 1.00 1.10 H new ATOM 815 N VAL A 50 1.551 13.060 0.935 1.00 0.63 N ATOM 816 CA VAL A 50 1.283 12.369 -0.321 1.00 0.60 C ATOM 817 C VAL A 50 1.095 10.867 -0.111 1.00 0.54 C ATOM 818 O VAL A 50 0.507 10.186 -0.946 1.00 0.54 O ATOM 819 CB VAL A 50 2.422 12.596 -1.340 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.450 14.047 -1.787 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.769 12.194 -0.753 1.00 0.62 C ATOM 0 H VAL A 50 2.514 13.380 1.041 1.00 0.63 H new ATOM 0 HA VAL A 50 0.357 12.789 -0.714 1.00 0.60 H new ATOM 0 HB VAL A 50 2.231 11.966 -2.208 1.00 0.64 H new ATOM 0 HG11 VAL A 50 3.258 14.191 -2.505 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.499 14.302 -2.255 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.613 14.691 -0.923 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.553 12.364 -1.491 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.972 12.792 0.136 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.748 11.138 -0.483 1.00 0.62 H new ATOM 831 N LEU A 51 1.577 10.357 1.015 1.00 0.52 N ATOM 832 CA LEU A 51 1.472 8.932 1.307 1.00 0.50 C ATOM 833 C LEU A 51 0.178 8.613 2.050 1.00 0.53 C ATOM 834 O LEU A 51 -0.494 7.631 1.743 1.00 0.55 O ATOM 835 CB LEU A 51 2.676 8.470 2.131 1.00 0.48 C ATOM 836 CG LEU A 51 4.041 8.666 1.465 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.155 8.265 2.417 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.134 7.870 0.171 1.00 0.47 C ATOM 0 H LEU A 51 2.042 10.905 1.738 1.00 0.52 H new ATOM 0 HA LEU A 51 1.460 8.396 0.358 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.673 9.007 3.080 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.552 7.412 2.363 1.00 0.48 H new ATOM 0 HG LEU A 51 4.153 9.722 1.221 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.119 8.410 1.930 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.106 8.881 3.315 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.040 7.216 2.690 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.113 8.026 -0.283 1.00 0.47 H new ATOM 0 HD22 LEU A 51 3.998 6.810 0.385 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.358 8.203 -0.518 1.00 0.47 H new ATOM 850 N ARG A 52 -0.173 9.452 3.017 1.00 0.59 N ATOM 851 CA ARG A 52 -1.384 9.245 3.812 1.00 0.66 C ATOM 852 C ARG A 52 -2.646 9.365 2.959 1.00 0.65 C ATOM 853 O ARG A 52 -3.640 8.687 3.217 1.00 0.69 O ATOM 854 CB ARG A 52 -1.448 10.234 4.984 1.00 0.79 C ATOM 855 CG ARG A 52 -1.414 11.694 4.563 1.00 0.97 C ATOM 856 CD ARG A 52 -1.778 12.621 5.710 1.00 1.22 C ATOM 857 NE ARG A 52 -0.749 12.654 6.751 1.00 1.50 N ATOM 858 CZ ARG A 52 -0.509 13.717 7.526 1.00 1.90 C ATOM 859 NH1 ARG A 52 -1.211 14.833 7.363 1.00 2.00 N ATOM 860 NH2 ARG A 52 0.446 13.666 8.451 1.00 2.61 N ATOM 0 H ARG A 52 0.361 10.283 3.272 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.337 8.231 4.209 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.361 10.051 5.551 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.611 10.040 5.655 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.418 11.943 4.196 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -2.107 11.850 3.736 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -1.932 13.629 5.324 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -2.723 12.299 6.148 1.00 1.22 H new ATOM 0 HE ARG A 52 -0.182 11.818 6.893 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -1.935 14.880 6.646 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -1.026 15.643 7.955 1.00 2.00 H new ATOM 0 HH21 ARG A 52 0.996 12.815 8.570 1.00 2.61 H new ATOM 0 HH22 ARG A 52 0.628 14.478 9.041 1.00 2.61 H new ATOM 874 N GLU A 53 -2.603 10.212 1.935 1.00 0.64 N ATOM 875 CA GLU A 53 -3.761 10.407 1.067 1.00 0.68 C ATOM 876 C GLU A 53 -3.900 9.261 0.067 1.00 0.65 C ATOM 877 O GLU A 53 -4.927 9.122 -0.599 1.00 0.78 O ATOM 878 CB GLU A 53 -3.671 11.749 0.335 1.00 0.72 C ATOM 879 CG GLU A 53 -2.601 11.802 -0.743 1.00 0.67 C ATOM 880 CD GLU A 53 -2.671 13.073 -1.560 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.766 13.671 -1.640 1.00 1.35 O ATOM 882 OE2 GLU A 53 -1.638 13.483 -2.126 1.00 1.26 O ATOM 0 H GLU A 53 -1.786 10.770 1.687 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.651 10.416 1.697 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.638 11.968 -0.118 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.475 12.535 1.064 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.617 11.724 -0.280 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.711 10.942 -1.403 1.00 0.67 H new ATOM 889 N GLN A 54 -2.859 8.449 -0.044 1.00 0.57 N ATOM 890 CA GLN A 54 -2.874 7.304 -0.948 1.00 0.58 C ATOM 891 C GLN A 54 -2.845 6.009 -0.149 1.00 0.57 C ATOM 892 O GLN A 54 -2.717 4.917 -0.703 1.00 0.60 O ATOM 893 CB GLN A 54 -1.680 7.358 -1.901 1.00 0.57 C ATOM 894 CG GLN A 54 -1.725 8.518 -2.879 1.00 0.64 C ATOM 895 CD GLN A 54 -2.892 8.432 -3.847 1.00 0.81 C ATOM 896 OE1 GLN A 54 -2.779 7.850 -4.924 1.00 1.13 O ATOM 897 NE2 GLN A 54 -4.024 9.004 -3.468 1.00 0.96 N ATOM 0 H GLN A 54 -1.991 8.560 0.481 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.790 7.339 -1.537 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.763 7.425 -1.315 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.633 6.425 -2.462 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.790 9.453 -2.323 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.793 8.547 -3.443 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.079 9.478 -2.566 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.841 8.971 -4.078 1.00 0.96 H new ATOM 906 N ALA A 55 -2.966 6.145 1.161 1.00 0.58 N ATOM 907 CA ALA A 55 -2.952 5.002 2.056 1.00 0.60 C ATOM 908 C ALA A 55 -4.240 4.206 1.939 1.00 0.61 C ATOM 909 O ALA A 55 -5.335 4.760 2.056 1.00 0.68 O ATOM 910 CB ALA A 55 -2.745 5.459 3.487 1.00 0.65 C ATOM 0 H ALA A 55 -3.076 7.044 1.630 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.124 4.354 1.769 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.736 4.592 4.148 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.794 5.986 3.567 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.556 6.128 3.776 1.00 0.65 H new ATOM 916 N GLY A 56 -4.102 2.908 1.719 1.00 0.59 N ATOM 917 CA GLY A 56 -5.261 2.056 1.580 1.00 0.64 C ATOM 918 C GLY A 56 -5.751 1.994 0.146 1.00 0.62 C ATOM 919 O GLY A 56 -6.860 1.534 -0.116 1.00 0.66 O ATOM 0 H GLY A 56 -3.205 2.429 1.634 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -5.016 1.051 1.923 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.061 2.425 2.221 1.00 0.64 H new ATOM 923 N GLY A 57 -4.918 2.461 -0.779 1.00 0.63 N ATOM 924 CA GLY A 57 -5.278 2.450 -2.183 1.00 0.65 C ATOM 925 C GLY A 57 -4.067 2.291 -3.075 1.00 0.59 C ATOM 926 O GLY A 57 -2.929 2.327 -2.597 1.00 0.55 O ATOM 0 H GLY A 57 -3.996 2.848 -0.578 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -5.977 1.636 -2.372 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.794 3.377 -2.433 1.00 0.65 H new ATOM 930 N ASP A 58 -4.304 2.108 -4.366 1.00 0.65 N ATOM 931 CA ASP A 58 -3.219 1.944 -5.325 1.00 0.62 C ATOM 932 C ASP A 58 -2.737 3.298 -5.827 1.00 0.61 C ATOM 933 O ASP A 58 -3.521 4.100 -6.336 1.00 0.71 O ATOM 934 CB ASP A 58 -3.662 1.068 -6.504 1.00 0.69 C ATOM 935 CG ASP A 58 -2.545 0.835 -7.508 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.238 1.764 -8.290 1.00 1.51 O ATOM 937 OD2 ASP A 58 -1.972 -0.277 -7.526 1.00 1.32 O ATOM 0 H ASP A 58 -5.238 2.069 -4.774 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.392 1.447 -4.817 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.013 0.108 -6.127 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.505 1.541 -7.007 1.00 0.69 H new ATOM 942 N ALA A 59 -1.445 3.540 -5.680 1.00 0.55 N ATOM 943 CA ALA A 59 -0.845 4.792 -6.109 1.00 0.57 C ATOM 944 C ALA A 59 0.205 4.554 -7.188 1.00 0.54 C ATOM 945 O ALA A 59 1.135 5.349 -7.350 1.00 0.54 O ATOM 946 CB ALA A 59 -0.231 5.508 -4.917 1.00 0.60 C ATOM 0 H ALA A 59 -0.788 2.881 -5.264 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.627 5.420 -6.536 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.217 6.446 -5.247 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -1.006 5.716 -4.179 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.537 4.877 -4.469 1.00 0.60 H new ATOM 952 N THR A 60 0.046 3.468 -7.939 1.00 0.56 N ATOM 953 CA THR A 60 0.987 3.136 -9.002 1.00 0.57 C ATOM 954 C THR A 60 1.025 4.249 -10.045 1.00 0.57 C ATOM 955 O THR A 60 2.074 4.545 -10.619 1.00 0.58 O ATOM 956 CB THR A 60 0.606 1.806 -9.681 1.00 0.64 C ATOM 957 OG1 THR A 60 0.376 0.805 -8.682 1.00 0.67 O ATOM 958 CG2 THR A 60 1.703 1.337 -10.631 1.00 0.71 C ATOM 0 H THR A 60 -0.722 2.806 -7.831 1.00 0.56 H new ATOM 0 HA THR A 60 1.974 3.029 -8.553 1.00 0.57 H new ATOM 0 HB THR A 60 -0.302 1.967 -10.261 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.579 0.585 -8.653 1.00 0.67 H new ATOM 0 HG21 THR A 60 1.405 0.397 -11.095 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.861 2.089 -11.404 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.628 1.190 -10.074 1.00 0.71 H new ATOM 966 N GLU A 61 -0.127 4.886 -10.239 1.00 0.62 N ATOM 967 CA GLU A 61 -0.281 5.978 -11.198 1.00 0.67 C ATOM 968 C GLU A 61 0.648 7.151 -10.876 1.00 0.63 C ATOM 969 O GLU A 61 1.057 7.891 -11.767 1.00 0.74 O ATOM 970 CB GLU A 61 -1.734 6.463 -11.199 1.00 0.78 C ATOM 971 CG GLU A 61 -2.266 6.764 -9.804 1.00 0.83 C ATOM 972 CD GLU A 61 -3.655 7.365 -9.815 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.621 6.636 -10.122 1.00 1.48 O ATOM 974 OE2 GLU A 61 -3.788 8.566 -9.496 1.00 1.64 O ATOM 0 H GLU A 61 -0.984 4.659 -9.734 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.012 5.596 -12.183 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.810 7.361 -11.812 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.363 5.705 -11.665 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.280 5.843 -9.220 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.584 7.450 -9.302 1.00 0.83 H new ATOM 981 N ASN A 62 0.972 7.322 -9.601 1.00 0.56 N ATOM 982 CA ASN A 62 1.843 8.412 -9.179 1.00 0.55 C ATOM 983 C ASN A 62 3.295 7.955 -9.139 1.00 0.50 C ATOM 984 O ASN A 62 4.211 8.742 -9.366 1.00 0.50 O ATOM 985 CB ASN A 62 1.415 8.941 -7.809 1.00 0.58 C ATOM 986 CG ASN A 62 1.502 10.454 -7.724 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.439 11.063 -8.234 1.00 1.28 O ATOM 988 ND2 ASN A 62 0.513 11.071 -7.096 1.00 1.32 N ATOM 0 H ASN A 62 0.646 6.722 -8.843 1.00 0.56 H new ATOM 0 HA ASN A 62 1.755 9.219 -9.906 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.392 8.626 -7.603 1.00 0.58 H new ATOM 0 HB3 ASN A 62 2.046 8.499 -7.038 1.00 0.58 H new ATOM 0 HD21 ASN A 62 0.511 12.088 -7.023 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.247 10.529 -6.686 1.00 1.32 H new ATOM 995 N PHE A 63 3.493 6.670 -8.871 1.00 0.48 N ATOM 996 CA PHE A 63 4.832 6.094 -8.812 1.00 0.46 C ATOM 997 C PHE A 63 5.547 6.271 -10.150 1.00 0.49 C ATOM 998 O PHE A 63 6.711 6.684 -10.201 1.00 0.50 O ATOM 999 CB PHE A 63 4.744 4.610 -8.451 1.00 0.48 C ATOM 1000 CG PHE A 63 5.998 4.056 -7.831 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.202 4.135 -6.460 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.966 3.450 -8.615 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.350 3.620 -5.885 1.00 0.76 C ATOM 1004 CE2 PHE A 63 8.114 2.931 -8.045 1.00 0.77 C ATOM 1005 CZ PHE A 63 8.307 3.016 -6.680 1.00 0.73 C ATOM 0 H PHE A 63 2.741 6.005 -8.690 1.00 0.48 H new ATOM 0 HA PHE A 63 5.405 6.613 -8.043 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.914 4.463 -7.760 1.00 0.48 H new ATOM 0 HB3 PHE A 63 4.514 4.041 -9.351 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.456 4.604 -5.835 1.00 0.63 H new ATOM 0 HD2 PHE A 63 6.822 3.382 -9.683 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.499 3.689 -4.818 1.00 0.76 H new ATOM 0 HE2 PHE A 63 8.860 2.459 -8.667 1.00 0.77 H new ATOM 0 HZ PHE A 63 9.204 2.611 -6.234 1.00 0.73 H new ATOM 1015 N GLU A 64 4.830 5.982 -11.230 1.00 0.53 N ATOM 1016 CA GLU A 64 5.376 6.108 -12.573 1.00 0.58 C ATOM 1017 C GLU A 64 5.330 7.562 -13.039 1.00 0.57 C ATOM 1018 O GLU A 64 6.127 7.981 -13.878 1.00 0.65 O ATOM 1019 CB GLU A 64 4.601 5.216 -13.543 1.00 0.69 C ATOM 1020 CG GLU A 64 3.092 5.389 -13.460 1.00 1.08 C ATOM 1021 CD GLU A 64 2.355 4.598 -14.519 1.00 1.47 C ATOM 1022 OE1 GLU A 64 2.404 4.998 -15.703 1.00 1.88 O ATOM 1023 OE2 GLU A 64 1.710 3.584 -14.174 1.00 1.89 O ATOM 0 H GLU A 64 3.864 5.657 -11.199 1.00 0.53 H new ATOM 0 HA GLU A 64 6.417 5.786 -12.554 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.927 5.432 -14.560 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.850 4.174 -13.342 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.748 5.077 -12.474 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.845 6.446 -13.564 1.00 1.08 H new ATOM 1030 N ASP A 65 4.391 8.327 -12.489 1.00 0.54 N ATOM 1031 CA ASP A 65 4.242 9.735 -12.846 1.00 0.55 C ATOM 1032 C ASP A 65 5.463 10.525 -12.404 1.00 0.53 C ATOM 1033 O ASP A 65 6.043 11.285 -13.180 1.00 0.58 O ATOM 1034 CB ASP A 65 2.984 10.324 -12.203 1.00 0.57 C ATOM 1035 CG ASP A 65 2.765 11.776 -12.581 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.532 12.053 -13.775 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.814 12.648 -11.688 1.00 0.79 O ATOM 0 H ASP A 65 3.722 7.996 -11.794 1.00 0.54 H new ATOM 0 HA ASP A 65 4.147 9.803 -13.930 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.116 9.738 -12.506 1.00 0.57 H new ATOM 0 HB3 ASP A 65 3.061 10.242 -11.119 1.00 0.57 H new ATOM 1042 N VAL A 66 5.850 10.338 -11.154 1.00 0.50 N ATOM 1043 CA VAL A 66 7.009 11.022 -10.604 1.00 0.52 C ATOM 1044 C VAL A 66 8.297 10.456 -11.194 1.00 0.50 C ATOM 1045 O VAL A 66 9.171 11.203 -11.637 1.00 0.55 O ATOM 1046 CB VAL A 66 7.052 10.900 -9.067 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.330 11.508 -8.509 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.832 11.566 -8.447 1.00 0.60 C ATOM 0 H VAL A 66 5.377 9.716 -10.498 1.00 0.50 H new ATOM 0 HA VAL A 66 6.923 12.076 -10.869 1.00 0.52 H new ATOM 0 HB VAL A 66 7.040 9.841 -8.810 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.336 11.409 -7.423 1.00 0.67 H new ATOM 0 HG12 VAL A 66 9.192 10.988 -8.926 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.378 12.563 -8.778 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.878 11.471 -7.362 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.816 12.622 -8.719 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.927 11.083 -8.816 1.00 0.60 H new ATOM 1058 N GLY A 67 8.395 9.136 -11.221 1.00 0.50 N ATOM 1059 CA GLY A 67 9.585 8.498 -11.741 1.00 0.54 C ATOM 1060 C GLY A 67 10.599 8.250 -10.647 1.00 0.54 C ATOM 1061 O GLY A 67 11.371 9.140 -10.288 1.00 0.82 O ATOM 0 H GLY A 67 7.672 8.496 -10.892 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.317 7.552 -12.212 1.00 0.54 H new ATOM 0 HA3 GLY A 67 10.028 9.125 -12.515 1.00 0.54 H new ATOM 1065 N HIS A 68 10.594 7.039 -10.118 1.00 0.45 N ATOM 1066 CA HIS A 68 11.498 6.677 -9.035 1.00 0.42 C ATOM 1067 C HIS A 68 12.792 6.087 -9.575 1.00 0.47 C ATOM 1068 O HIS A 68 12.802 5.438 -10.624 1.00 0.58 O ATOM 1069 CB HIS A 68 10.817 5.682 -8.087 1.00 0.39 C ATOM 1070 CG HIS A 68 9.771 6.301 -7.214 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.603 6.863 -7.685 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.739 6.445 -5.867 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.917 7.324 -6.632 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.564 7.096 -5.506 1.00 0.40 N ATOM 0 H HIS A 68 9.974 6.287 -10.420 1.00 0.45 H new ATOM 0 HA HIS A 68 11.744 7.584 -8.482 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.361 4.886 -8.676 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.575 5.217 -7.457 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.313 6.918 -8.662 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.504 6.108 -5.183 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.959 7.818 -6.696 1.00 0.35 H new ATOM 1082 N SER A 69 13.882 6.327 -8.860 1.00 0.45 N ATOM 1083 CA SER A 69 15.185 5.814 -9.255 1.00 0.50 C ATOM 1084 C SER A 69 15.222 4.290 -9.150 1.00 0.50 C ATOM 1085 O SER A 69 14.395 3.684 -8.463 1.00 0.46 O ATOM 1086 CB SER A 69 16.277 6.441 -8.390 1.00 0.55 C ATOM 1087 OG SER A 69 16.194 7.856 -8.429 1.00 1.01 O ATOM 0 H SER A 69 13.889 6.876 -8.000 1.00 0.45 H new ATOM 0 HA SER A 69 15.365 6.083 -10.296 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.178 6.094 -7.362 1.00 0.55 H new ATOM 0 HB3 SER A 69 17.257 6.119 -8.742 1.00 0.55 H new ATOM 0 HG SER A 69 15.444 8.155 -7.874 1.00 1.01 H new ATOM 1093 N THR A 70 16.179 3.682 -9.837 1.00 0.59 N ATOM 1094 CA THR A 70 16.330 2.234 -9.842 1.00 0.64 C ATOM 1095 C THR A 70 16.498 1.687 -8.424 1.00 0.61 C ATOM 1096 O THR A 70 15.818 0.742 -8.031 1.00 0.66 O ATOM 1097 CB THR A 70 17.531 1.825 -10.707 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.643 2.728 -11.817 1.00 0.89 O ATOM 1099 CG2 THR A 70 17.380 0.401 -11.217 1.00 1.08 C ATOM 0 H THR A 70 16.869 4.175 -10.404 1.00 0.59 H new ATOM 0 HA THR A 70 15.421 1.807 -10.266 1.00 0.64 H new ATOM 0 HB THR A 70 18.432 1.871 -10.095 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.410 2.472 -12.371 1.00 0.89 H new ATOM 0 HG21 THR A 70 18.245 0.139 -11.826 1.00 1.08 H new ATOM 0 HG22 THR A 70 17.311 -0.283 -10.371 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.475 0.324 -11.820 1.00 1.08 H new ATOM 1107 N ASP A 71 17.386 2.303 -7.650 1.00 0.60 N ATOM 1108 CA ASP A 71 17.625 1.875 -6.271 1.00 0.61 C ATOM 1109 C ASP A 71 16.380 2.089 -5.413 1.00 0.54 C ATOM 1110 O ASP A 71 16.081 1.299 -4.518 1.00 0.56 O ATOM 1111 CB ASP A 71 18.806 2.636 -5.662 1.00 0.70 C ATOM 1112 CG ASP A 71 19.122 2.179 -4.251 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.759 1.114 -4.090 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.743 2.881 -3.294 1.00 1.29 O ATOM 0 H ASP A 71 17.951 3.097 -7.950 1.00 0.60 H new ATOM 0 HA ASP A 71 17.862 0.811 -6.291 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.686 2.500 -6.291 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.582 3.703 -5.654 1.00 0.70 H new ATOM 1119 N ALA A 72 15.651 3.158 -5.710 1.00 0.48 N ATOM 1120 CA ALA A 72 14.438 3.496 -4.977 1.00 0.44 C ATOM 1121 C ALA A 72 13.380 2.407 -5.120 1.00 0.42 C ATOM 1122 O ALA A 72 12.831 1.932 -4.127 1.00 0.43 O ATOM 1123 CB ALA A 72 13.895 4.833 -5.454 1.00 0.47 C ATOM 0 H ALA A 72 15.882 3.810 -6.460 1.00 0.48 H new ATOM 0 HA ALA A 72 14.692 3.573 -3.920 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.988 5.076 -4.900 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.642 5.609 -5.287 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.665 4.774 -6.518 1.00 0.47 H new ATOM 1129 N ARG A 73 13.115 1.991 -6.353 1.00 0.44 N ATOM 1130 CA ARG A 73 12.115 0.956 -6.599 1.00 0.48 C ATOM 1131 C ARG A 73 12.579 -0.402 -6.064 1.00 0.49 C ATOM 1132 O ARG A 73 11.759 -1.247 -5.707 1.00 0.56 O ATOM 1133 CB ARG A 73 11.756 0.871 -8.091 1.00 0.54 C ATOM 1134 CG ARG A 73 12.950 0.739 -9.025 1.00 0.68 C ATOM 1135 CD ARG A 73 13.061 -0.669 -9.594 1.00 0.74 C ATOM 1136 NE ARG A 73 11.881 -1.046 -10.367 1.00 0.90 N ATOM 1137 CZ ARG A 73 11.400 -2.289 -10.443 1.00 1.08 C ATOM 1138 NH1 ARG A 73 12.029 -3.300 -9.855 1.00 1.08 N ATOM 1139 NH2 ARG A 73 10.294 -2.524 -11.130 1.00 1.36 N ATOM 0 H ARG A 73 13.573 2.349 -7.191 1.00 0.44 H new ATOM 0 HA ARG A 73 11.212 1.235 -6.057 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.096 0.017 -8.244 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.193 1.763 -8.367 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.856 1.456 -9.841 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.864 0.988 -8.486 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.945 -0.734 -10.228 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.201 -1.379 -8.779 1.00 0.74 H new ATOM 0 HE ARG A 73 11.393 -0.313 -10.882 1.00 0.90 H new ATOM 0 HH11 ARG A 73 12.891 -3.132 -9.337 1.00 1.08 H new ATOM 0 HH12 ARG A 73 11.650 -4.245 -9.921 1.00 1.08 H new ATOM 0 HH21 ARG A 73 9.812 -1.757 -11.599 1.00 1.36 H new ATOM 0 HH22 ARG A 73 9.923 -3.472 -11.191 1.00 1.36 H new ATOM 1153 N GLU A 74 13.892 -0.598 -5.983 1.00 0.47 N ATOM 1154 CA GLU A 74 14.442 -1.851 -5.471 1.00 0.51 C ATOM 1155 C GLU A 74 14.330 -1.892 -3.950 1.00 0.49 C ATOM 1156 O GLU A 74 14.288 -2.962 -3.346 1.00 0.55 O ATOM 1157 CB GLU A 74 15.910 -2.014 -5.885 1.00 0.57 C ATOM 1158 CG GLU A 74 16.112 -2.248 -7.373 1.00 0.65 C ATOM 1159 CD GLU A 74 15.326 -3.436 -7.880 1.00 0.75 C ATOM 1160 OE1 GLU A 74 15.603 -4.572 -7.438 1.00 1.01 O ATOM 1161 OE2 GLU A 74 14.430 -3.246 -8.726 1.00 0.84 O ATOM 0 H GLU A 74 14.592 0.089 -6.263 1.00 0.47 H new ATOM 0 HA GLU A 74 13.867 -2.673 -5.898 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.461 -1.121 -5.590 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.341 -2.850 -5.335 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.812 -1.356 -7.923 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.172 -2.405 -7.573 1.00 0.65 H new ATOM 1168 N LEU A 75 14.275 -0.712 -3.342 1.00 0.47 N ATOM 1169 CA LEU A 75 14.166 -0.596 -1.893 1.00 0.48 C ATOM 1170 C LEU A 75 12.780 -1.028 -1.428 1.00 0.43 C ATOM 1171 O LEU A 75 12.636 -1.675 -0.392 1.00 0.44 O ATOM 1172 CB LEU A 75 14.450 0.843 -1.448 1.00 0.53 C ATOM 1173 CG LEU A 75 14.476 1.065 0.066 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.753 0.500 0.668 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.333 2.546 0.384 1.00 0.61 C ATOM 0 H LEU A 75 14.304 0.181 -3.833 1.00 0.47 H new ATOM 0 HA LEU A 75 14.907 -1.253 -1.438 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.411 1.151 -1.861 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.693 1.496 -1.882 1.00 0.53 H new ATOM 0 HG LEU A 75 13.633 0.537 0.511 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.753 0.668 1.745 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.807 -0.570 0.467 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.616 0.997 0.224 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.353 2.690 1.464 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.156 3.097 -0.071 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.387 2.914 -0.013 1.00 0.61 H new ATOM 1187 N SER A 76 11.765 -0.693 -2.219 1.00 0.45 N ATOM 1188 CA SER A 76 10.386 -1.044 -1.895 1.00 0.46 C ATOM 1189 C SER A 76 10.189 -2.558 -1.821 1.00 0.43 C ATOM 1190 O SER A 76 9.259 -3.039 -1.178 1.00 0.45 O ATOM 1191 CB SER A 76 9.436 -0.449 -2.937 1.00 0.55 C ATOM 1192 OG SER A 76 10.158 0.110 -4.023 1.00 0.82 O ATOM 0 H SER A 76 11.872 -0.177 -3.092 1.00 0.45 H new ATOM 0 HA SER A 76 10.161 -0.629 -0.913 1.00 0.46 H new ATOM 0 HB2 SER A 76 8.762 -1.223 -3.304 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.817 0.319 -2.473 1.00 0.55 H new ATOM 0 HG SER A 76 10.588 -0.607 -4.534 1.00 0.82 H new ATOM 1198 N LYS A 77 11.087 -3.305 -2.455 1.00 0.45 N ATOM 1199 CA LYS A 77 11.000 -4.760 -2.472 1.00 0.51 C ATOM 1200 C LYS A 77 11.210 -5.351 -1.077 1.00 0.47 C ATOM 1201 O LYS A 77 10.832 -6.489 -0.819 1.00 0.56 O ATOM 1202 CB LYS A 77 12.030 -5.346 -3.437 1.00 0.63 C ATOM 1203 CG LYS A 77 11.646 -6.720 -3.966 1.00 0.94 C ATOM 1204 CD LYS A 77 12.852 -7.641 -4.062 1.00 1.20 C ATOM 1205 CE LYS A 77 12.515 -8.931 -4.789 1.00 1.60 C ATOM 1206 NZ LYS A 77 13.649 -9.894 -4.760 1.00 1.89 N ATOM 0 H LYS A 77 11.885 -2.925 -2.965 1.00 0.45 H new ATOM 0 HA LYS A 77 9.997 -5.023 -2.809 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.159 -4.664 -4.277 1.00 0.63 H new ATOM 0 HB3 LYS A 77 12.993 -5.415 -2.931 1.00 0.63 H new ATOM 0 HG2 LYS A 77 10.898 -7.167 -3.311 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.187 -6.617 -4.949 1.00 0.94 H new ATOM 0 HD2 LYS A 77 13.660 -7.129 -4.584 1.00 1.20 H new ATOM 0 HD3 LYS A 77 13.215 -7.871 -3.060 1.00 1.20 H new ATOM 0 HE2 LYS A 77 11.638 -9.388 -4.331 1.00 1.60 H new ATOM 0 HE3 LYS A 77 12.254 -8.708 -5.823 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 13.381 -10.762 -5.266 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 14.479 -9.467 -5.220 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 13.882 -10.127 -3.773 1.00 1.89 H new ATOM 1220 N THR A 78 11.813 -4.581 -0.180 1.00 0.42 N ATOM 1221 CA THR A 78 12.054 -5.052 1.175 1.00 0.48 C ATOM 1222 C THR A 78 10.888 -4.677 2.098 1.00 0.43 C ATOM 1223 O THR A 78 10.894 -4.998 3.289 1.00 0.53 O ATOM 1224 CB THR A 78 13.389 -4.495 1.730 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.924 -5.388 2.714 1.00 0.84 O ATOM 1226 CG2 THR A 78 13.210 -3.114 2.345 1.00 0.63 C ATOM 0 H THR A 78 12.142 -3.634 -0.366 1.00 0.42 H new ATOM 0 HA THR A 78 12.129 -6.139 1.142 1.00 0.48 H new ATOM 0 HB THR A 78 14.081 -4.408 0.893 1.00 0.59 H new ATOM 0 HG1 THR A 78 14.768 -5.028 3.058 1.00 0.84 H new ATOM 0 HG21 THR A 78 14.168 -2.757 2.723 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.839 -2.424 1.587 1.00 0.63 H new ATOM 0 HG23 THR A 78 12.495 -3.171 3.165 1.00 0.63 H new ATOM 1234 N PHE A 79 9.880 -4.020 1.533 1.00 0.36 N ATOM 1235 CA PHE A 79 8.713 -3.598 2.297 1.00 0.38 C ATOM 1236 C PHE A 79 7.452 -4.331 1.838 1.00 0.32 C ATOM 1237 O PHE A 79 6.340 -3.955 2.199 1.00 0.33 O ATOM 1238 CB PHE A 79 8.507 -2.087 2.157 1.00 0.46 C ATOM 1239 CG PHE A 79 9.567 -1.261 2.833 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.811 -1.395 4.191 1.00 1.10 C ATOM 1241 CD2 PHE A 79 10.314 -0.346 2.111 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.781 -0.632 4.814 1.00 1.16 C ATOM 1243 CE2 PHE A 79 11.284 0.422 2.730 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.517 0.277 4.083 1.00 0.70 C ATOM 0 H PHE A 79 9.849 -3.768 0.545 1.00 0.36 H new ATOM 0 HA PHE A 79 8.894 -3.847 3.343 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.481 -1.831 1.098 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.535 -1.823 2.573 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.237 -2.104 4.769 1.00 1.10 H new ATOM 0 HD2 PHE A 79 10.137 -0.230 1.052 1.00 0.96 H new ATOM 0 HE1 PHE A 79 10.962 -0.748 5.872 1.00 1.16 H new ATOM 0 HE2 PHE A 79 11.858 1.134 2.156 1.00 1.01 H new ATOM 0 HZ PHE A 79 12.275 0.874 4.568 1.00 0.70 H new ATOM 1254 N ILE A 80 7.628 -5.375 1.039 1.00 0.38 N ATOM 1255 CA ILE A 80 6.495 -6.145 0.539 1.00 0.36 C ATOM 1256 C ILE A 80 6.046 -7.172 1.579 1.00 0.33 C ATOM 1257 O ILE A 80 6.855 -7.945 2.094 1.00 0.42 O ATOM 1258 CB ILE A 80 6.829 -6.854 -0.802 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.615 -7.626 -1.325 1.00 0.46 C ATOM 1260 CG2 ILE A 80 8.024 -7.786 -0.652 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.606 -6.760 -2.043 1.00 0.72 C ATOM 0 H ILE A 80 8.539 -5.708 0.724 1.00 0.38 H new ATOM 0 HA ILE A 80 5.680 -5.445 0.353 1.00 0.36 H new ATOM 0 HB ILE A 80 7.090 -6.083 -1.527 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.957 -8.407 -2.003 1.00 0.46 H new ATOM 0 HG13 ILE A 80 5.124 -8.123 -0.488 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.232 -8.267 -1.608 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.896 -7.212 -0.337 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.800 -8.547 0.096 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.775 -7.377 -2.385 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.234 -5.994 -1.362 1.00 0.72 H new ATOM 0 HD13 ILE A 80 5.081 -6.283 -2.901 1.00 0.72 H new ATOM 1273 N ILE A 81 4.763 -7.154 1.920 1.00 0.28 N ATOM 1274 CA ILE A 81 4.238 -8.099 2.901 1.00 0.32 C ATOM 1275 C ILE A 81 3.125 -8.954 2.313 1.00 0.29 C ATOM 1276 O ILE A 81 2.748 -9.978 2.890 1.00 0.31 O ATOM 1277 CB ILE A 81 3.721 -7.411 4.191 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.439 -6.600 3.926 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.808 -6.532 4.800 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.676 -5.208 3.383 1.00 0.77 C ATOM 0 H ILE A 81 4.074 -6.505 1.539 1.00 0.28 H new ATOM 0 HA ILE A 81 5.082 -8.733 3.172 1.00 0.32 H new ATOM 0 HB ILE A 81 3.468 -8.192 4.907 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.816 -7.150 3.221 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.875 -6.522 4.856 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.428 -6.057 5.704 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.674 -7.145 5.049 1.00 0.43 H new ATOM 0 HG23 ILE A 81 5.100 -5.765 4.083 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.719 -4.711 3.227 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.270 -4.636 4.095 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.210 -5.273 2.435 1.00 0.77 H new ATOM 1292 N GLY A 82 2.594 -8.548 1.170 1.00 0.32 N ATOM 1293 CA GLY A 82 1.535 -9.318 0.566 1.00 0.35 C ATOM 1294 C GLY A 82 1.039 -8.739 -0.737 1.00 0.31 C ATOM 1295 O GLY A 82 1.637 -7.814 -1.288 1.00 0.34 O ATOM 0 H GLY A 82 2.874 -7.711 0.658 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.889 -10.334 0.392 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.702 -9.386 1.265 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.071 -9.275 -1.217 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.660 -8.835 -2.469 1.00 0.31 C ATOM 1301 C GLU A 83 -2.173 -8.725 -2.327 1.00 0.32 C ATOM 1302 O GLU A 83 -2.737 -9.157 -1.321 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.308 -9.819 -3.582 1.00 0.37 C ATOM 1304 CG GLU A 83 0.312 -9.159 -4.800 1.00 0.61 C ATOM 1305 CD GLU A 83 0.768 -10.159 -5.839 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.058 -11.166 -6.060 1.00 0.72 O ATOM 1307 OE2 GLU A 83 1.832 -9.942 -6.449 1.00 0.86 O ATOM 0 H GLU A 83 -0.586 -10.023 -0.752 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.260 -7.853 -2.723 1.00 0.31 H new ATOM 0 HB2 GLU A 83 0.384 -10.565 -3.191 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.210 -10.350 -3.886 1.00 0.37 H new ATOM 0 HG2 GLU A 83 -0.413 -8.481 -5.249 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.163 -8.554 -4.486 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.820 -8.141 -3.326 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.266 -7.984 -3.308 1.00 0.44 C ATOM 1316 C LEU A 84 -4.947 -9.259 -3.785 1.00 0.40 C ATOM 1317 O LEU A 84 -4.409 -9.982 -4.628 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.690 -6.803 -4.189 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.135 -5.546 -3.436 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.395 -5.815 -2.626 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -4.021 -5.045 -2.532 1.00 0.87 C ATOM 0 H LEU A 84 -2.365 -7.768 -4.159 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.574 -7.784 -2.282 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -3.856 -6.540 -4.840 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.507 -7.128 -4.833 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.361 -4.774 -4.171 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -6.691 -4.907 -2.101 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -7.198 -6.125 -3.295 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -6.200 -6.606 -1.902 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -4.355 -4.151 -2.005 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.764 -5.819 -1.808 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.144 -4.805 -3.134 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.122 -9.523 -3.234 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.907 -10.700 -3.588 1.00 0.48 C ATOM 1335 C HIS A 85 -7.237 -10.705 -5.079 1.00 0.42 C ATOM 1336 O HIS A 85 -7.417 -9.649 -5.678 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.207 -10.723 -2.776 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.357 -11.931 -1.907 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.327 -12.888 -2.111 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.660 -12.329 -0.819 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -9.221 -13.820 -1.184 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -8.215 -13.505 -0.388 1.00 1.10 N ATOM 0 H HIS A 85 -6.559 -8.929 -2.529 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.316 -11.587 -3.359 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.250 -9.831 -2.152 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -9.053 -10.673 -3.461 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -10.018 -12.877 -2.861 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -6.821 -11.815 -0.373 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.850 -14.693 -1.091 1.00 1.48 H new ATOM 1351 N PRO A 86 -7.321 -11.896 -5.700 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.648 -12.021 -7.125 1.00 0.44 C ATOM 1353 C PRO A 86 -9.023 -11.438 -7.438 1.00 0.40 C ATOM 1354 O PRO A 86 -9.257 -10.908 -8.527 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.639 -13.536 -7.373 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.769 -14.154 -6.027 1.00 0.57 C ATOM 1357 CD PRO A 86 -7.097 -13.210 -5.074 1.00 0.53 C ATOM 0 HA PRO A 86 -6.945 -11.478 -7.757 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -8.462 -13.833 -8.023 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.717 -13.849 -7.862 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.817 -14.296 -5.762 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -7.298 -15.136 -6.001 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.535 -13.263 -4.077 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -6.035 -13.431 -4.968 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.920 -11.526 -6.461 1.00 0.41 N ATOM 1366 CA ASP A 87 -11.277 -11.007 -6.600 1.00 0.43 C ATOM 1367 C ASP A 87 -11.255 -9.488 -6.704 1.00 0.41 C ATOM 1368 O ASP A 87 -12.116 -8.883 -7.342 1.00 0.47 O ATOM 1369 CB ASP A 87 -12.142 -11.418 -5.403 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.928 -12.859 -4.988 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -11.029 -13.114 -4.152 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.663 -13.744 -5.482 1.00 1.30 O ATOM 0 H ASP A 87 -9.729 -11.956 -5.556 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.705 -11.428 -7.510 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.919 -10.765 -4.559 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -13.193 -11.269 -5.652 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.250 -8.883 -6.088 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.098 -7.434 -6.091 1.00 0.50 C ATOM 1379 C ASP A 88 -9.050 -7.018 -7.117 1.00 0.49 C ATOM 1380 O ASP A 88 -8.546 -5.896 -7.093 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.681 -6.934 -4.701 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.692 -7.269 -3.620 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.807 -6.706 -3.642 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.375 -8.094 -2.733 1.00 1.20 O ATOM 0 H ASP A 88 -9.521 -9.378 -5.575 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.058 -6.989 -6.354 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.718 -7.372 -4.438 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.541 -5.854 -4.737 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.727 -7.930 -8.023 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.728 -7.659 -9.044 1.00 0.51 C ATOM 1391 C ARG A 89 -8.294 -7.899 -10.441 1.00 0.57 C ATOM 1392 O ARG A 89 -8.430 -6.969 -11.232 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.501 -8.541 -8.813 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.241 -8.014 -9.475 1.00 0.89 C ATOM 1395 CD ARG A 89 -4.130 -9.045 -9.456 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.821 -9.501 -8.102 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.660 -10.052 -7.754 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.694 -10.195 -8.658 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.458 -10.448 -6.504 1.00 0.81 N ATOM 0 H ARG A 89 -9.141 -8.861 -8.071 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.437 -6.611 -8.973 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.327 -8.633 -7.741 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.708 -9.543 -9.190 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.460 -7.733 -10.505 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.910 -7.111 -8.962 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.419 -9.899 -10.068 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.234 -8.619 -9.907 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.536 -9.391 -7.383 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.843 -9.882 -9.617 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.805 -10.617 -8.391 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.193 -10.331 -5.807 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.568 -10.870 -6.240 1.00 0.81 H new ATOM 1413 N SER A 90 -8.634 -9.145 -10.732 1.00 0.50 N ATOM 1414 CA SER A 90 -9.173 -9.502 -12.035 1.00 0.59 C ATOM 1415 C SER A 90 -10.634 -9.931 -11.914 1.00 0.57 C ATOM 1416 O SER A 90 -11.044 -10.953 -12.469 1.00 0.88 O ATOM 1417 CB SER A 90 -8.337 -10.629 -12.650 1.00 0.71 C ATOM 1418 OG SER A 90 -7.208 -10.928 -11.840 1.00 1.16 O ATOM 0 H SER A 90 -8.546 -9.927 -10.083 1.00 0.50 H new ATOM 0 HA SER A 90 -9.127 -8.628 -12.685 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.952 -11.521 -12.765 1.00 0.71 H new ATOM 0 HB3 SER A 90 -8.007 -10.338 -13.647 1.00 0.71 H new ATOM 0 HG SER A 90 -6.692 -11.651 -12.253 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.418 -9.148 -11.186 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.829 -9.455 -10.996 1.00 0.49 C ATOM 1426 C LYS A 91 -13.610 -8.192 -10.652 1.00 0.51 C ATOM 1427 O LYS A 91 -14.378 -7.689 -11.471 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.005 -10.507 -9.894 1.00 0.47 C ATOM 1429 CG LYS A 91 -14.350 -11.216 -9.931 1.00 1.02 C ATOM 1430 CD LYS A 91 -14.506 -12.188 -8.769 1.00 1.09 C ATOM 1431 CE LYS A 91 -13.511 -13.336 -8.855 1.00 1.24 C ATOM 1432 NZ LYS A 91 -14.184 -14.657 -8.801 1.00 1.76 N ATOM 0 H LYS A 91 -11.102 -8.298 -10.719 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.221 -9.860 -11.929 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.211 -11.249 -9.983 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -12.885 -10.026 -8.923 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -15.152 -10.478 -9.898 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -14.451 -11.755 -10.873 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -14.366 -11.655 -7.828 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -15.521 -12.586 -8.762 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -12.943 -13.256 -9.782 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -12.796 -13.259 -8.036 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -13.472 -15.412 -8.862 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -14.705 -14.745 -7.905 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -14.848 -14.741 -9.597 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.406 -7.692 -9.433 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.078 -6.482 -8.951 1.00 0.55 C ATOM 1448 C LEU A 92 -15.592 -6.677 -8.904 1.00 0.58 C ATOM 1449 O LEU A 92 -16.357 -5.724 -9.048 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.729 -5.269 -9.827 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.506 -4.452 -9.387 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.654 -3.990 -7.946 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.227 -5.257 -9.562 1.00 0.90 C ATOM 0 H LEU A 92 -12.773 -8.112 -8.753 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.722 -6.291 -7.939 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.561 -5.618 -10.846 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.593 -4.606 -9.856 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.444 -3.569 -10.023 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.775 -3.413 -7.657 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.544 -3.367 -7.853 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.749 -4.858 -7.294 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.374 -4.658 -9.244 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.281 -6.162 -8.957 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.109 -5.529 -10.611 1.00 0.90 H new ATOM 1465 N SER A 93 -16.013 -7.917 -8.695 1.00 0.52 N ATOM 1466 CA SER A 93 -17.428 -8.242 -8.621 1.00 0.57 C ATOM 1467 C SER A 93 -17.854 -8.411 -7.164 1.00 0.58 C ATOM 1468 O SER A 93 -18.394 -9.445 -6.770 1.00 0.70 O ATOM 1469 CB SER A 93 -17.715 -9.513 -9.426 1.00 0.62 C ATOM 1470 OG SER A 93 -17.210 -9.395 -10.750 1.00 0.70 O ATOM 0 H SER A 93 -15.391 -8.716 -8.573 1.00 0.52 H new ATOM 0 HA SER A 93 -18.006 -7.424 -9.051 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.260 -10.372 -8.933 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.789 -9.695 -9.456 1.00 0.62 H new ATOM 0 HG SER A 93 -17.402 -10.217 -11.248 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.589 -7.385 -6.369 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.932 -7.393 -4.954 1.00 0.60 C ATOM 1478 C LYS A 94 -18.734 -6.144 -4.602 1.00 0.71 C ATOM 1479 O LYS A 94 -18.268 -5.025 -4.821 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.663 -7.451 -4.097 1.00 0.56 C ATOM 1481 CG LYS A 94 -15.963 -8.804 -4.117 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.533 -8.701 -3.606 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.479 -8.216 -2.164 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.084 -7.954 -1.723 1.00 0.93 N ATOM 0 H LYS A 94 -17.133 -6.528 -6.683 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.537 -8.277 -4.750 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -15.967 -6.688 -4.445 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -16.920 -7.202 -3.068 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.520 -9.512 -3.503 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -15.960 -9.198 -5.133 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.050 -9.675 -3.680 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -13.969 -8.017 -4.240 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.069 -7.305 -2.064 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -14.932 -8.963 -1.512 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.065 -7.824 -0.691 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.481 -8.761 -1.982 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.729 -7.093 -2.187 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.957 -6.318 -4.073 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.826 -5.199 -3.686 1.00 0.92 C ATOM 1500 C PRO A 95 -20.180 -4.290 -2.642 1.00 0.95 C ATOM 1501 O PRO A 95 -19.671 -4.759 -1.618 1.00 1.03 O ATOM 1502 CB PRO A 95 -22.066 -5.889 -3.104 1.00 1.04 C ATOM 1503 CG PRO A 95 -22.051 -7.253 -3.693 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.603 -7.619 -3.821 1.00 0.84 C ATOM 0 HA PRO A 95 -21.044 -4.547 -4.532 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.023 -5.927 -2.016 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.978 -5.354 -3.369 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -22.580 -7.961 -3.055 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.546 -7.267 -4.664 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -20.223 -8.090 -2.914 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.434 -8.320 -4.639 1.00 0.84 H new ATOM 1512 N MET A 96 -20.200 -2.992 -2.915 1.00 1.06 N ATOM 1513 CA MET A 96 -19.619 -2.005 -2.015 1.00 1.14 C ATOM 1514 C MET A 96 -20.556 -1.731 -0.844 1.00 1.16 C ATOM 1515 O MET A 96 -20.207 -1.996 0.305 1.00 1.25 O ATOM 1516 CB MET A 96 -19.320 -0.708 -2.774 1.00 1.31 C ATOM 1517 CG MET A 96 -18.624 0.348 -1.932 1.00 1.38 C ATOM 1518 SD MET A 96 -18.193 1.824 -2.880 1.00 1.63 S ATOM 1519 CE MET A 96 -19.804 2.329 -3.484 1.00 1.94 C ATOM 0 H MET A 96 -20.615 -2.596 -3.758 1.00 1.06 H new ATOM 0 HA MET A 96 -18.684 -2.403 -1.621 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.697 -0.939 -3.638 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.255 -0.297 -3.155 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.272 0.631 -1.103 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.719 -0.077 -1.499 1.00 1.38 H new ATOM 0 HE1 MET A 96 -19.854 3.417 -3.520 1.00 1.94 H new ATOM 0 HE2 MET A 96 -19.960 1.925 -4.484 1.00 1.94 H new ATOM 0 HE3 MET A 96 -20.578 1.952 -2.815 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.746 -1.209 -1.154 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.760 -0.897 -0.144 1.00 1.22 C ATOM 1531 C GLU A 97 -22.243 0.118 0.881 1.00 1.29 C ATOM 1532 O GLU A 97 -21.626 -0.247 1.884 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.225 -2.180 0.563 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.192 -1.938 1.713 1.00 1.50 C ATOM 1535 CD GLU A 97 -24.431 -3.184 2.541 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -23.609 -3.480 3.437 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -25.441 -3.877 2.297 1.00 2.57 O ATOM 0 H GLU A 97 -22.033 -0.992 -2.108 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.610 -0.447 -0.657 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.702 -2.833 -0.168 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.352 -2.711 0.942 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -23.799 -1.149 2.354 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.142 -1.582 1.316 1.00 1.50 H new ATOM 1544 N THR A 98 -22.490 1.396 0.624 1.00 1.31 N ATOM 1545 CA THR A 98 -22.060 2.449 1.532 1.00 1.40 C ATOM 1546 C THR A 98 -22.748 3.774 1.196 1.00 1.39 C ATOM 1547 O THR A 98 -23.567 3.835 0.275 1.00 1.35 O ATOM 1548 CB THR A 98 -20.523 2.626 1.512 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.111 3.458 2.600 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.050 3.230 0.197 1.00 1.37 C ATOM 0 H THR A 98 -22.985 1.727 -0.204 1.00 1.31 H new ATOM 0 HA THR A 98 -22.352 2.147 2.538 1.00 1.40 H new ATOM 0 HB THR A 98 -20.072 1.639 1.615 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.137 3.563 2.581 1.00 1.57 H new ATOM 0 HG21 THR A 98 -18.966 3.341 0.217 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.333 2.575 -0.627 1.00 1.37 H new ATOM 0 HG23 THR A 98 -20.512 4.207 0.059 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.414 4.818 1.960 1.00 1.46 N ATOM 1559 CA LEU A 99 -22.977 6.158 1.775 1.00 1.48 C ATOM 1560 C LEU A 99 -24.490 6.155 1.970 1.00 1.52 C ATOM 1561 O LEU A 99 -25.224 6.854 1.271 1.00 1.53 O ATOM 1562 CB LEU A 99 -22.612 6.712 0.393 1.00 1.43 C ATOM 1563 CG LEU A 99 -21.122 6.989 0.177 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -20.871 7.465 -1.243 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -20.616 8.013 1.182 1.00 1.61 C ATOM 0 H LEU A 99 -21.744 4.757 2.726 1.00 1.46 H new ATOM 0 HA LEU A 99 -22.544 6.809 2.534 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -22.948 6.004 -0.365 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -23.165 7.638 0.232 1.00 1.43 H new ATOM 0 HG LEU A 99 -20.574 6.060 0.331 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -19.807 7.657 -1.380 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -21.194 6.698 -1.946 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -21.432 8.382 -1.424 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -19.555 8.196 1.012 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -21.169 8.945 1.062 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -20.761 7.633 2.193 1.00 1.61 H new ATOM 1577 N ILE A 100 -24.949 5.371 2.935 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.372 5.275 3.229 1.00 1.68 C ATOM 1579 C ILE A 100 -26.712 6.000 4.528 1.00 1.72 C ATOM 1580 O ILE A 100 -27.839 5.929 5.016 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.836 3.805 3.325 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.847 2.981 4.154 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.002 3.210 1.933 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -26.300 1.559 4.400 1.00 1.79 C ATOM 0 H ILE A 100 -24.356 4.791 3.529 1.00 1.60 H new ATOM 0 HA ILE A 100 -26.899 5.752 2.403 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.803 3.779 3.827 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.884 2.963 3.643 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.690 3.475 5.113 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.329 2.174 2.017 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.746 3.782 1.379 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -26.049 3.248 1.405 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -25.550 1.036 4.993 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -27.248 1.567 4.938 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -26.429 1.048 3.446 1.00 1.79 H new ATOM 1596 N THR A 101 -25.734 6.703 5.076 1.00 1.73 N ATOM 1597 CA THR A 101 -25.921 7.442 6.314 1.00 1.77 C ATOM 1598 C THR A 101 -25.682 8.932 6.091 1.00 1.85 C ATOM 1599 O THR A 101 -24.665 9.328 5.519 1.00 1.80 O ATOM 1600 CB THR A 101 -24.967 6.926 7.404 1.00 1.70 C ATOM 1601 OG1 THR A 101 -24.578 5.574 7.107 1.00 1.85 O ATOM 1602 CG2 THR A 101 -25.636 6.979 8.770 1.00 1.98 C ATOM 0 H THR A 101 -24.797 6.777 4.680 1.00 1.73 H new ATOM 0 HA THR A 101 -26.949 7.291 6.642 1.00 1.77 H new ATOM 0 HB THR A 101 -24.083 7.564 7.424 1.00 1.70 H new ATOM 0 HG1 THR A 101 -23.969 5.249 7.802 1.00 1.85 H new ATOM 0 HG21 THR A 101 -24.945 6.610 9.528 1.00 1.98 H new ATOM 0 HG22 THR A 101 -25.912 8.008 9.000 1.00 1.98 H new ATOM 0 HG23 THR A 101 -26.531 6.357 8.761 1.00 1.98 H new ATOM 1610 N THR A 102 -26.624 9.756 6.525 1.00 2.05 N ATOM 1611 CA THR A 102 -26.507 11.196 6.362 1.00 2.18 C ATOM 1612 C THR A 102 -25.811 11.841 7.559 1.00 2.11 C ATOM 1613 O THR A 102 -26.451 12.218 8.545 1.00 2.23 O ATOM 1614 CB THR A 102 -27.890 11.837 6.148 1.00 2.58 C ATOM 1615 OG1 THR A 102 -28.875 11.135 6.915 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.278 11.803 4.680 1.00 2.72 C ATOM 0 H THR A 102 -27.478 9.451 6.993 1.00 2.05 H new ATOM 0 HA THR A 102 -25.895 11.373 5.477 1.00 2.18 H new ATOM 0 HB THR A 102 -27.840 12.876 6.475 1.00 2.58 H new ATOM 0 HG1 THR A 102 -29.753 11.548 6.777 1.00 2.89 H new ATOM 0 HG21 THR A 102 -29.259 12.261 4.552 1.00 2.72 H new ATOM 0 HG22 THR A 102 -27.541 12.354 4.096 1.00 2.72 H new ATOM 0 HG23 THR A 102 -28.313 10.769 4.337 1.00 2.72 H new ATOM 1624 N VAL A 103 -24.493 11.950 7.472 1.00 2.05 N ATOM 1625 CA VAL A 103 -23.702 12.548 8.543 1.00 2.08 C ATOM 1626 C VAL A 103 -23.319 13.985 8.197 1.00 2.14 C ATOM 1627 O VAL A 103 -22.380 14.547 8.759 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.421 11.734 8.831 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -22.771 10.372 9.410 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -21.587 11.581 7.568 1.00 1.94 C ATOM 0 H VAL A 103 -23.947 11.633 6.671 1.00 2.05 H new ATOM 0 HA VAL A 103 -24.324 12.543 9.438 1.00 2.08 H new ATOM 0 HB VAL A 103 -21.829 12.277 9.567 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -21.856 9.814 9.606 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -23.322 10.503 10.341 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -23.386 9.821 8.698 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -20.689 11.005 7.792 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.170 11.062 6.807 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -21.303 12.566 7.198 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.064 14.574 7.273 1.00 2.18 N ATOM 1641 CA ASP A 104 -23.814 15.939 6.833 1.00 2.30 C ATOM 1642 C ASP A 104 -24.350 16.943 7.844 1.00 2.65 C ATOM 1643 O ASP A 104 -23.858 18.087 7.862 1.00 2.86 O ATOM 1644 CB ASP A 104 -24.450 16.185 5.464 1.00 2.32 C ATOM 1645 CG ASP A 104 -25.937 15.896 5.448 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -26.315 14.714 5.290 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -26.737 16.847 5.571 1.00 2.82 O ATOM 0 H ASP A 104 -24.853 14.123 6.810 1.00 2.18 H new ATOM 0 HA ASP A 104 -22.735 16.074 6.751 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -24.283 17.222 5.172 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -23.955 15.560 4.721 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 11.151 10.094 -3.965 1.00 0.46 C HETATM 1654 CHB HEM A 400 10.554 5.709 -2.134 1.00 0.49 C HETATM 1655 CHC HEM A 400 5.849 6.007 -2.927 1.00 0.41 C HETATM 1656 CHD HEM A 400 6.402 10.477 -4.553 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.401 8.851 -3.430 1.00 0.46 C HETATM 1658 C2A HEM A 400 12.714 8.374 -3.057 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.536 7.150 -2.511 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.126 6.875 -2.572 1.00 0.47 C HETATM 1661 CMA HEM A 400 13.584 6.282 -1.901 1.00 0.63 C HETATM 1662 CAA HEM A 400 14.018 9.067 -3.278 1.00 0.61 C HETATM 1663 CBA HEM A 400 15.015 8.204 -4.057 1.00 0.95 C HETATM 1664 CGA HEM A 400 15.229 8.803 -5.441 1.00 0.91 C HETATM 1665 O1A HEM A 400 16.086 9.700 -5.568 1.00 1.48 O HETATM 1666 O2A HEM A 400 14.544 8.373 -6.392 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.218 5.413 -2.191 1.00 0.46 C HETATM 1668 C2B HEM A 400 8.646 4.174 -1.732 1.00 0.51 C HETATM 1669 C3B HEM A 400 7.317 4.251 -1.965 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.086 5.540 -2.569 1.00 0.42 C HETATM 1671 CMB HEM A 400 9.378 3.036 -1.112 1.00 0.60 C HETATM 1672 CAB HEM A 400 6.367 3.287 -1.676 1.00 0.55 C HETATM 1673 CBB HEM A 400 4.980 3.576 -1.097 1.00 1.07 C HETATM 1674 C1C HEM A 400 5.596 7.243 -3.456 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.280 7.717 -3.780 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.427 8.991 -4.212 1.00 0.40 C HETATM 1677 C4C HEM A 400 5.840 9.281 -4.168 1.00 0.36 C HETATM 1678 CMC HEM A 400 3.007 6.940 -3.679 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.413 9.853 -4.578 1.00 0.45 C HETATM 1680 CBC HEM A 400 2.055 9.938 -3.874 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.749 10.764 -4.536 1.00 0.39 C HETATM 1682 C2D HEM A 400 8.314 12.023 -4.953 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.657 11.913 -4.806 1.00 0.47 C HETATM 1684 C4D HEM A 400 9.904 10.583 -4.290 1.00 0.42 C HETATM 1685 CMD HEM A 400 7.565 13.221 -5.439 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.675 12.963 -5.116 1.00 0.55 C HETATM 1687 CBD HEM A 400 10.797 13.246 -6.619 1.00 0.70 C HETATM 1688 CGD HEM A 400 10.707 14.753 -6.859 1.00 1.09 C HETATM 1689 O1D HEM A 400 10.292 15.480 -5.930 1.00 1.52 O HETATM 1690 O2D HEM A 400 11.063 15.203 -7.968 1.00 1.79 O HETATM 1691 NA HEM A 400 10.428 7.921 -3.137 1.00 0.42 N HETATM 1692 NB HEM A 400 8.256 6.253 -2.703 1.00 0.40 N HETATM 1693 NC HEM A 400 6.556 8.199 -3.700 1.00 0.35 N HETATM 1694 ND HEM A 400 8.726 9.880 -4.125 1.00 0.37 N HETATM 1695 FE HEM A 400 8.496 8.051 -3.453 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 13.151 5.712 -1.079 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 14.397 6.903 -1.524 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 13.971 5.596 -2.654 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 8.719 2.515 -0.417 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 10.248 3.413 -0.574 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 9.704 2.346 -1.890 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.212 5.882 -3.844 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.303 7.295 -4.432 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 2.576 7.075 -2.687 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 8.117 14.125 -5.181 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 6.581 13.250 -4.970 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 7.449 13.163 -6.521 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 4.291 2.755 -0.898 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 4.682 4.602 -0.883 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.304 10.646 -4.223 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 1.840 9.290 -3.024 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 14.640 7.184 -4.144 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 15.963 8.150 -3.521 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.451 9.337 -2.315 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 13.845 9.996 -3.821 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 10.005 12.732 -7.163 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 11.744 12.862 -6.997 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 11.645 12.648 -4.730 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 10.410 13.884 -4.598 1.00 0.55 H new HETATM 0 HHA HEM A 400 11.999 10.738 -4.145 1.00 0.46 H new HETATM 0 HHB HEM A 400 11.210 4.963 -1.710 1.00 0.49 H new HETATM 0 HHC HEM A 400 5.007 5.347 -2.780 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.733 11.253 -4.896 1.00 0.38 H new HETATM 0 HAB HEM A 400 6.625 2.247 -1.875 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.590 10.517 -5.424 1.00 0.45 H new