USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=31 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 13 THR OG1 : rot 80:sc= 1.08 USER MOD Set 1.2: A 85 HIS :FLIP no HD1:sc= -0.167 F(o=0.27,f=0.91) USER MOD Set 2.1: A 26 THR OG1 : rot 85:sc= 0.771 USER MOD Set 2.2: A 38 THR OG1 : rot -79:sc= 1.52 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0903) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.0668 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0241 K(o=-0.024,f=-1.1) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= 0.632 (180deg=0.383) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -128:sc= 0.719 USER MOD Single : A 12 TYR OH : rot 152:sc= 0.733 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= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 21 ASN : amide:sc= 0.638 K(o=0.64,f=-5.4!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0267 X(o=-0.027,f=-0.25) USER MOD Single : A 23 SER OG : rot 180:sc= -0.215 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.022 (180deg=-0.198) USER MOD Single : A 25 SER OG : rot 180:sc= -0.134 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 X(o=0,f=-0.011) USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= 1.25 (180deg=-0.32) USER MOD Single : A 35 TYR OH : rot 30:sc= -0.0547 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.96) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.702 USER MOD Single : A 62 ASN : amide:sc= -0.883 K(o=-0.88,f=-2.4) USER MOD Single : A 69 SER OG : rot 76:sc= 1.28 USER MOD Single : A 70 THR OG1 : rot -79:sc= 0.17 USER MOD Single : A 76 SER OG : rot -61:sc= 1.27 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 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= -0.0394 (180deg=-0.179) USER MOD Single : A 93 SER OG : rot 180:sc= -0.886 USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= 1.91 (180deg=0.958) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0922 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0478 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : A 400 HEM CMA :methyl -30:sc= -1.13 (180deg=-2.1!) USER MOD Single : A 400 HEM CMB :methyl -30:sc= -0.0565 (180deg=-0.0706) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -1.58 (180deg=-3.21!) USER MOD Single : A 400 HEM CMD :methyl 150:sc= -0.945 (180deg=-0.945) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.957 -14.127 17.392 1.00 1.40 N ATOM 2 CA MET A 1 20.006 -13.180 18.026 1.00 1.19 C ATOM 3 C MET A 1 18.838 -12.909 17.085 1.00 1.07 C ATOM 4 O MET A 1 18.590 -13.692 16.168 1.00 1.47 O ATOM 5 CB MET A 1 20.714 -11.867 18.388 1.00 1.39 C ATOM 6 CG MET A 1 20.503 -11.446 19.836 1.00 1.77 C ATOM 7 SD MET A 1 21.517 -10.032 20.313 1.00 2.23 S ATOM 8 CE MET A 1 23.118 -10.814 20.498 1.00 2.70 C ATOM 0 H1 MET A 1 21.289 -14.812 18.101 1.00 1.40 H new ATOM 0 H2 MET A 1 20.480 -14.633 16.619 1.00 1.40 H new ATOM 0 H3 MET A 1 21.769 -13.601 17.012 1.00 1.40 H new ATOM 0 HA MET A 1 19.625 -13.628 18.944 1.00 1.19 H new ATOM 0 HB2 MET A 1 21.782 -11.975 18.201 1.00 1.39 H new ATOM 0 HB3 MET A 1 20.354 -11.075 17.731 1.00 1.39 H new ATOM 0 HG2 MET A 1 19.452 -11.200 19.988 1.00 1.77 H new ATOM 0 HG3 MET A 1 20.731 -12.287 20.490 1.00 1.77 H new ATOM 0 HE1 MET A 1 23.814 -10.114 20.960 1.00 2.70 H new ATOM 0 HE2 MET A 1 23.021 -11.698 21.129 1.00 2.70 H new ATOM 0 HE3 MET A 1 23.495 -11.107 19.518 1.00 2.70 H new ATOM 20 N ALA A 2 18.120 -11.812 17.305 1.00 0.86 N ATOM 21 CA ALA A 2 16.978 -11.468 16.469 1.00 0.87 C ATOM 22 C ALA A 2 17.420 -10.907 15.122 1.00 0.72 C ATOM 23 O ALA A 2 17.543 -9.692 14.948 1.00 0.87 O ATOM 24 CB ALA A 2 16.081 -10.474 17.183 1.00 1.10 C ATOM 0 H ALA A 2 18.310 -11.147 18.055 1.00 0.86 H new ATOM 0 HA ALA A 2 16.416 -12.383 16.282 1.00 0.87 H new ATOM 0 HB1 ALA A 2 15.232 -10.227 16.546 1.00 1.10 H new ATOM 0 HB2 ALA A 2 15.720 -10.912 18.114 1.00 1.10 H new ATOM 0 HB3 ALA A 2 16.645 -9.568 17.404 1.00 1.10 H new ATOM 30 N ALA A 3 17.661 -11.797 14.173 1.00 0.71 N ATOM 31 CA ALA A 3 18.083 -11.398 12.841 1.00 0.72 C ATOM 32 C ALA A 3 17.467 -12.311 11.789 1.00 0.70 C ATOM 33 O ALA A 3 18.015 -13.367 11.460 1.00 1.05 O ATOM 34 CB ALA A 3 19.599 -11.401 12.747 1.00 0.96 C ATOM 0 H ALA A 3 17.571 -12.805 14.302 1.00 0.71 H new ATOM 0 HA ALA A 3 17.732 -10.384 12.651 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.902 -11.100 11.744 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.010 -10.702 13.475 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.974 -12.403 12.954 1.00 0.96 H new ATOM 40 N GLN A 4 16.318 -11.902 11.280 1.00 0.66 N ATOM 41 CA GLN A 4 15.598 -12.674 10.275 1.00 0.68 C ATOM 42 C GLN A 4 15.575 -11.935 8.938 1.00 0.66 C ATOM 43 O GLN A 4 15.655 -10.707 8.898 1.00 0.81 O ATOM 44 CB GLN A 4 14.165 -12.957 10.746 1.00 0.83 C ATOM 45 CG GLN A 4 13.455 -11.736 11.311 1.00 0.97 C ATOM 46 CD GLN A 4 13.434 -11.714 12.828 1.00 1.33 C ATOM 47 OE1 GLN A 4 14.306 -12.283 13.483 1.00 1.79 O ATOM 48 NE2 GLN A 4 12.442 -11.051 13.397 1.00 1.63 N ATOM 0 H GLN A 4 15.858 -11.032 11.548 1.00 0.66 H new ATOM 0 HA GLN A 4 16.118 -13.622 10.136 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.587 -13.347 9.908 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.189 -13.737 11.507 1.00 0.83 H new ATOM 0 HG2 GLN A 4 13.948 -10.835 10.946 1.00 0.97 H new ATOM 0 HG3 GLN A 4 12.431 -11.713 10.938 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.738 -10.592 12.819 1.00 1.63 H new ATOM 0 HE22 GLN A 4 12.381 -10.998 14.414 1.00 1.63 H new ATOM 57 N SER A 5 15.477 -12.687 7.850 1.00 0.71 N ATOM 58 CA SER A 5 15.444 -12.105 6.512 1.00 0.76 C ATOM 59 C SER A 5 14.367 -12.778 5.658 1.00 0.73 C ATOM 60 O SER A 5 14.529 -12.953 4.450 1.00 1.11 O ATOM 61 CB SER A 5 16.815 -12.256 5.844 1.00 0.98 C ATOM 62 OG SER A 5 17.860 -11.897 6.736 1.00 1.18 O ATOM 0 H SER A 5 15.419 -13.705 7.867 1.00 0.71 H new ATOM 0 HA SER A 5 15.203 -11.046 6.599 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.951 -13.286 5.515 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.861 -11.628 4.954 1.00 0.98 H new ATOM 0 HG SER A 5 18.724 -12.003 6.287 1.00 1.18 H new ATOM 68 N ASP A 6 13.260 -13.139 6.297 1.00 0.62 N ATOM 69 CA ASP A 6 12.159 -13.812 5.611 1.00 0.68 C ATOM 70 C ASP A 6 11.281 -12.826 4.858 1.00 0.58 C ATOM 71 O ASP A 6 11.279 -11.624 5.145 1.00 0.80 O ATOM 72 CB ASP A 6 11.297 -14.586 6.608 1.00 0.89 C ATOM 73 CG ASP A 6 12.126 -15.325 7.632 1.00 1.54 C ATOM 74 OD1 ASP A 6 12.594 -16.443 7.334 1.00 1.98 O ATOM 75 OD2 ASP A 6 12.325 -14.778 8.734 1.00 2.18 O ATOM 0 H ASP A 6 13.099 -12.977 7.291 1.00 0.62 H new ATOM 0 HA ASP A 6 12.604 -14.502 4.894 1.00 0.68 H new ATOM 0 HB2 ASP A 6 10.626 -13.895 7.118 1.00 0.89 H new ATOM 0 HB3 ASP A 6 10.672 -15.297 6.068 1.00 0.89 H new ATOM 80 N LYS A 7 10.532 -13.347 3.899 1.00 0.54 N ATOM 81 CA LYS A 7 9.631 -12.541 3.090 1.00 0.58 C ATOM 82 C LYS A 7 8.458 -13.383 2.610 1.00 0.53 C ATOM 83 O LYS A 7 8.561 -14.115 1.620 1.00 0.85 O ATOM 84 CB LYS A 7 10.366 -11.932 1.891 1.00 0.81 C ATOM 85 CG LYS A 7 10.918 -10.542 2.157 1.00 1.05 C ATOM 86 CD LYS A 7 9.799 -9.523 2.327 1.00 1.24 C ATOM 87 CE LYS A 7 10.192 -8.418 3.296 1.00 1.58 C ATOM 88 NZ LYS A 7 10.215 -8.893 4.708 1.00 1.91 N ATOM 0 H LYS A 7 10.531 -14.339 3.660 1.00 0.54 H new ATOM 0 HA LYS A 7 9.255 -11.728 3.711 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.186 -12.591 1.606 1.00 0.81 H new ATOM 0 HB3 LYS A 7 9.684 -11.886 1.042 1.00 0.81 H new ATOM 0 HG2 LYS A 7 11.535 -10.560 3.055 1.00 1.05 H new ATOM 0 HG3 LYS A 7 11.564 -10.241 1.332 1.00 1.05 H new ATOM 0 HD2 LYS A 7 9.552 -9.088 1.359 1.00 1.24 H new ATOM 0 HD3 LYS A 7 8.902 -10.024 2.690 1.00 1.24 H new ATOM 0 HE2 LYS A 7 11.176 -8.034 3.027 1.00 1.58 H new ATOM 0 HE3 LYS A 7 9.490 -7.589 3.204 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 10.874 -8.308 5.260 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 9.261 -8.818 5.115 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 10.526 -9.885 4.736 1.00 1.91 H new ATOM 102 N ASP A 8 7.354 -13.287 3.330 1.00 0.50 N ATOM 103 CA ASP A 8 6.148 -14.027 2.992 1.00 0.54 C ATOM 104 C ASP A 8 5.248 -13.161 2.124 1.00 0.51 C ATOM 105 O ASP A 8 5.471 -11.957 2.005 1.00 0.83 O ATOM 106 CB ASP A 8 5.405 -14.439 4.265 1.00 0.75 C ATOM 107 CG ASP A 8 4.776 -15.815 4.164 1.00 1.00 C ATOM 108 OD1 ASP A 8 3.957 -16.043 3.247 1.00 1.72 O ATOM 109 OD2 ASP A 8 5.094 -16.678 5.012 1.00 1.44 O ATOM 0 H ASP A 8 7.267 -12.699 4.159 1.00 0.50 H new ATOM 0 HA ASP A 8 6.424 -14.927 2.443 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.099 -14.423 5.105 1.00 0.75 H new ATOM 0 HB3 ASP A 8 4.628 -13.705 4.479 1.00 0.75 H new ATOM 114 N VAL A 9 4.244 -13.768 1.520 1.00 0.39 N ATOM 115 CA VAL A 9 3.320 -13.036 0.673 1.00 0.35 C ATOM 116 C VAL A 9 1.876 -13.387 1.029 1.00 0.33 C ATOM 117 O VAL A 9 1.325 -14.398 0.589 1.00 0.44 O ATOM 118 CB VAL A 9 3.597 -13.278 -0.836 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.668 -14.764 -1.171 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.554 -12.582 -1.701 1.00 0.47 C ATOM 0 H VAL A 9 4.047 -14.766 1.600 1.00 0.39 H new ATOM 0 HA VAL A 9 3.475 -11.973 0.858 1.00 0.35 H new ATOM 0 HB VAL A 9 4.573 -12.846 -1.056 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.863 -14.888 -2.236 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.471 -15.228 -0.599 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.720 -15.240 -0.918 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.771 -12.767 -2.753 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.564 -12.970 -1.461 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.579 -11.509 -1.509 1.00 0.47 H new ATOM 130 N LYS A 10 1.277 -12.554 1.861 1.00 0.30 N ATOM 131 CA LYS A 10 -0.095 -12.760 2.288 1.00 0.34 C ATOM 132 C LYS A 10 -1.037 -11.932 1.425 1.00 0.34 C ATOM 133 O LYS A 10 -0.809 -10.746 1.210 1.00 0.48 O ATOM 134 CB LYS A 10 -0.247 -12.384 3.763 1.00 0.42 C ATOM 135 CG LYS A 10 0.690 -13.150 4.690 1.00 0.93 C ATOM 136 CD LYS A 10 0.628 -12.622 6.116 1.00 0.98 C ATOM 137 CE LYS A 10 -0.738 -12.861 6.748 1.00 1.27 C ATOM 138 NZ LYS A 10 -0.756 -12.515 8.194 1.00 1.97 N ATOM 0 H LYS A 10 1.722 -11.725 2.256 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.352 -13.813 2.171 1.00 0.34 H new ATOM 0 HB2 LYS A 10 -0.064 -11.316 3.877 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -1.277 -12.565 4.071 1.00 0.42 H new ATOM 0 HG2 LYS A 10 0.425 -14.207 4.682 1.00 0.93 H new ATOM 0 HG3 LYS A 10 1.712 -13.074 4.318 1.00 0.93 H new ATOM 0 HD2 LYS A 10 1.397 -13.107 6.717 1.00 0.98 H new ATOM 0 HD3 LYS A 10 0.848 -11.554 6.118 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -1.487 -12.267 6.225 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -1.016 -13.907 6.623 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -1.704 -12.693 8.582 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -0.060 -13.099 8.699 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -0.516 -11.510 8.313 1.00 1.97 H new ATOM 152 N TYR A 11 -2.077 -12.559 0.913 1.00 0.34 N ATOM 153 CA TYR A 11 -3.035 -11.867 0.070 1.00 0.35 C ATOM 154 C TYR A 11 -4.137 -11.242 0.910 1.00 0.33 C ATOM 155 O TYR A 11 -4.931 -11.939 1.543 1.00 0.39 O ATOM 156 CB TYR A 11 -3.620 -12.823 -0.973 1.00 0.43 C ATOM 157 CG TYR A 11 -2.758 -12.956 -2.203 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.737 -13.899 -2.265 1.00 0.85 C ATOM 159 CD2 TYR A 11 -2.960 -12.135 -3.302 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.941 -14.013 -3.388 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.169 -12.242 -4.427 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.163 -13.182 -4.468 1.00 0.83 C ATOM 163 OH TYR A 11 -0.374 -13.290 -5.588 1.00 1.03 O ATOM 0 H TYR A 11 -2.282 -13.547 1.065 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.516 -11.065 -0.455 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.753 -13.806 -0.522 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.609 -12.470 -1.266 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.564 -14.552 -1.422 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -3.750 -11.399 -3.277 1.00 0.81 H new ATOM 0 HE1 TYR A 11 -0.150 -14.748 -3.421 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.338 -11.591 -5.272 1.00 0.95 H new ATOM 0 HH TYR A 11 -0.015 -12.408 -5.822 1.00 1.03 H new ATOM 173 N TYR A 12 -4.173 -9.919 0.918 1.00 0.37 N ATOM 174 CA TYR A 12 -5.168 -9.190 1.682 1.00 0.41 C ATOM 175 C TYR A 12 -6.291 -8.731 0.767 1.00 0.42 C ATOM 176 O TYR A 12 -6.068 -8.440 -0.409 1.00 0.45 O ATOM 177 CB TYR A 12 -4.539 -7.981 2.381 1.00 0.45 C ATOM 178 CG TYR A 12 -3.258 -8.297 3.123 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.286 -8.890 4.379 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.023 -8.003 2.562 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.116 -9.178 5.054 1.00 0.91 C ATOM 182 CE2 TYR A 12 -0.850 -8.288 3.231 1.00 0.82 C ATOM 183 CZ TYR A 12 -0.901 -8.876 4.476 1.00 0.82 C ATOM 184 OH TYR A 12 0.266 -9.166 5.145 1.00 1.02 O ATOM 0 H TYR A 12 -3.521 -9.328 0.402 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.573 -9.857 2.443 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.336 -7.210 1.638 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.261 -7.564 3.084 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.236 -9.129 4.834 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.979 -7.544 1.586 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.153 -9.638 6.031 1.00 0.91 H new ATOM 0 HE2 TYR A 12 0.103 -8.051 2.781 1.00 0.82 H new ATOM 0 HH TYR A 12 0.983 -9.326 4.497 1.00 1.02 H new ATOM 194 N THR A 13 -7.499 -8.701 1.293 1.00 0.47 N ATOM 195 CA THR A 13 -8.646 -8.261 0.522 1.00 0.51 C ATOM 196 C THR A 13 -8.706 -6.731 0.515 1.00 0.47 C ATOM 197 O THR A 13 -8.143 -6.083 1.403 1.00 0.46 O ATOM 198 CB THR A 13 -9.950 -8.863 1.084 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.664 -10.119 1.723 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.969 -9.090 -0.022 1.00 0.86 C ATOM 0 H THR A 13 -7.713 -8.976 2.252 1.00 0.47 H new ATOM 0 HA THR A 13 -8.538 -8.613 -0.504 1.00 0.51 H new ATOM 0 HB THR A 13 -10.367 -8.159 1.804 1.00 0.62 H new ATOM 0 HG1 THR A 13 -9.296 -9.955 2.616 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.878 -9.515 0.403 1.00 0.86 H new ATOM 0 HG22 THR A 13 -11.202 -8.140 -0.502 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.557 -9.778 -0.760 1.00 0.86 H new ATOM 208 N LEU A 14 -9.370 -6.161 -0.485 1.00 0.50 N ATOM 209 CA LEU A 14 -9.473 -4.707 -0.625 1.00 0.51 C ATOM 210 C LEU A 14 -10.016 -4.038 0.642 1.00 0.48 C ATOM 211 O LEU A 14 -9.504 -3.005 1.078 1.00 0.51 O ATOM 212 CB LEU A 14 -10.357 -4.359 -1.825 1.00 0.58 C ATOM 213 CG LEU A 14 -10.388 -2.880 -2.214 1.00 0.73 C ATOM 214 CD1 LEU A 14 -8.990 -2.380 -2.557 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.336 -2.665 -3.385 1.00 0.95 C ATOM 0 H LEU A 14 -9.849 -6.685 -1.217 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.466 -4.323 -0.787 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.016 -4.936 -2.685 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.376 -4.681 -1.609 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.751 -2.307 -1.361 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.037 -1.326 -2.830 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.338 -2.502 -1.692 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -8.593 -2.954 -3.394 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.350 -1.609 -3.653 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -10.998 -3.252 -4.239 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.340 -2.981 -3.103 1.00 0.95 H new ATOM 227 N GLU A 15 -11.037 -4.633 1.238 1.00 0.50 N ATOM 228 CA GLU A 15 -11.650 -4.084 2.449 1.00 0.53 C ATOM 229 C GLU A 15 -10.745 -4.234 3.673 1.00 0.51 C ATOM 230 O GLU A 15 -10.959 -3.577 4.689 1.00 0.61 O ATOM 231 CB GLU A 15 -13.004 -4.752 2.724 1.00 0.61 C ATOM 232 CG GLU A 15 -13.008 -6.259 2.510 1.00 0.67 C ATOM 233 CD GLU A 15 -13.450 -6.645 1.114 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.682 -6.412 0.158 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.565 -7.178 0.961 1.00 1.05 O ATOM 0 H GLU A 15 -11.463 -5.498 0.906 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.800 -3.019 2.270 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.299 -4.541 3.752 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.757 -4.302 2.077 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.008 -6.651 2.692 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.671 -6.725 3.239 1.00 0.67 H new ATOM 242 N GLU A 16 -9.732 -5.083 3.574 1.00 0.46 N ATOM 243 CA GLU A 16 -8.820 -5.312 4.689 1.00 0.50 C ATOM 244 C GLU A 16 -7.696 -4.283 4.712 1.00 0.46 C ATOM 245 O GLU A 16 -7.308 -3.800 5.777 1.00 0.51 O ATOM 246 CB GLU A 16 -8.229 -6.720 4.619 1.00 0.58 C ATOM 247 CG GLU A 16 -9.269 -7.823 4.702 1.00 1.05 C ATOM 248 CD GLU A 16 -8.647 -9.195 4.819 1.00 1.60 C ATOM 249 OE1 GLU A 16 -8.115 -9.700 3.806 1.00 2.19 O ATOM 250 OE2 GLU A 16 -8.686 -9.777 5.923 1.00 2.32 O ATOM 0 H GLU A 16 -9.520 -5.624 2.736 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.397 -5.209 5.608 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -7.674 -6.826 3.687 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.514 -6.845 5.432 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -9.915 -7.646 5.562 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -9.902 -7.789 3.815 1.00 1.05 H new ATOM 257 N ILE A 17 -7.169 -3.946 3.544 1.00 0.42 N ATOM 258 CA ILE A 17 -6.080 -2.982 3.460 1.00 0.44 C ATOM 259 C ILE A 17 -6.556 -1.563 3.782 1.00 0.43 C ATOM 260 O ILE A 17 -5.841 -0.797 4.430 1.00 0.48 O ATOM 261 CB ILE A 17 -5.387 -3.013 2.077 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.393 -2.809 0.944 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.644 -4.326 1.889 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.418 -1.396 0.406 1.00 0.98 C ATOM 0 H ILE A 17 -7.475 -4.322 2.647 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.347 -3.276 4.211 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.672 -2.191 2.043 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.156 -3.495 0.131 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.389 -3.071 1.302 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.161 -4.334 0.912 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.889 -4.431 2.668 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.349 -5.155 1.952 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.154 -1.325 -0.395 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -6.685 -0.706 1.207 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.433 -1.137 0.018 1.00 0.98 H new ATOM 276 N LYS A 18 -7.775 -1.226 3.369 1.00 0.42 N ATOM 277 CA LYS A 18 -8.321 0.107 3.618 1.00 0.48 C ATOM 278 C LYS A 18 -8.896 0.213 5.030 1.00 0.50 C ATOM 279 O LYS A 18 -9.600 1.167 5.360 1.00 0.63 O ATOM 280 CB LYS A 18 -9.394 0.461 2.585 1.00 0.56 C ATOM 281 CG LYS A 18 -10.613 -0.450 2.620 1.00 0.53 C ATOM 282 CD LYS A 18 -11.833 0.218 2.000 1.00 0.87 C ATOM 283 CE LYS A 18 -11.585 0.622 0.552 1.00 1.05 C ATOM 284 NZ LYS A 18 -11.632 2.099 0.369 1.00 1.48 N ATOM 0 H LYS A 18 -8.401 -1.853 2.863 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.501 0.819 3.526 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.717 1.489 2.750 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.952 0.421 1.589 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.393 -1.374 2.085 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.833 -0.724 3.652 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.683 -0.463 2.046 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -12.099 1.100 2.582 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.612 0.248 0.233 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -12.332 0.153 -0.088 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -11.458 2.331 -0.630 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -12.569 2.454 0.649 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -10.902 2.545 0.960 1.00 1.48 H new ATOM 298 N LYS A 19 -8.607 -0.784 5.848 1.00 0.47 N ATOM 299 CA LYS A 19 -9.066 -0.801 7.226 1.00 0.53 C ATOM 300 C LYS A 19 -7.871 -0.757 8.170 1.00 0.54 C ATOM 301 O LYS A 19 -8.026 -0.730 9.389 1.00 0.67 O ATOM 302 CB LYS A 19 -9.894 -2.059 7.496 1.00 0.60 C ATOM 303 CG LYS A 19 -11.304 -1.773 7.988 1.00 0.84 C ATOM 304 CD LYS A 19 -12.207 -1.301 6.861 1.00 1.09 C ATOM 305 CE LYS A 19 -13.586 -0.919 7.377 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.474 -0.424 6.292 1.00 1.68 N ATOM 0 H LYS A 19 -8.053 -1.597 5.579 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.692 0.075 7.397 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -9.951 -2.648 6.581 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.378 -2.670 8.237 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.723 -2.674 8.437 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -11.270 -1.014 8.769 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -11.753 -0.444 6.364 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -12.302 -2.089 6.114 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -14.046 -1.784 7.854 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -13.485 -0.149 8.142 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.402 -0.176 6.689 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -14.049 0.417 5.852 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.592 -1.167 5.574 1.00 1.68 H new ATOM 320 N HIS A 20 -6.674 -0.739 7.595 1.00 0.55 N ATOM 321 CA HIS A 20 -5.446 -0.718 8.384 1.00 0.59 C ATOM 322 C HIS A 20 -4.789 0.654 8.347 1.00 0.58 C ATOM 323 O HIS A 20 -3.889 0.940 9.134 1.00 0.66 O ATOM 324 CB HIS A 20 -4.464 -1.772 7.867 1.00 0.68 C ATOM 325 CG HIS A 20 -4.695 -3.140 8.431 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.587 -4.044 7.892 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.133 -3.759 9.496 1.00 0.98 C ATOM 328 CE1 HIS A 20 -5.566 -5.156 8.605 1.00 1.07 C ATOM 329 NE2 HIS A 20 -4.691 -5.007 9.578 1.00 1.13 N ATOM 0 H HIS A 20 -6.527 -0.739 6.586 1.00 0.55 H new ATOM 0 HA HIS A 20 -5.712 -0.945 9.416 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -4.536 -1.820 6.780 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.448 -1.457 8.106 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.171 -3.880 7.072 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -3.385 -3.346 10.157 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -6.164 -6.036 8.421 1.00 1.07 H new ATOM 338 N ASN A 21 -5.257 1.502 7.444 1.00 0.58 N ATOM 339 CA ASN A 21 -4.708 2.847 7.284 1.00 0.61 C ATOM 340 C ASN A 21 -5.100 3.754 8.455 1.00 0.60 C ATOM 341 O ASN A 21 -5.957 4.626 8.333 1.00 0.75 O ATOM 342 CB ASN A 21 -5.158 3.460 5.945 1.00 0.72 C ATOM 343 CG ASN A 21 -6.670 3.480 5.761 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.403 2.738 6.414 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.149 4.318 4.853 1.00 0.88 N ATOM 0 H ASN A 21 -6.021 1.284 6.805 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.621 2.765 7.279 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.778 4.479 5.876 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.708 2.896 5.128 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.153 4.361 4.678 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.514 4.920 4.329 1.00 0.88 H new ATOM 352 N HIS A 22 -4.470 3.531 9.600 1.00 0.64 N ATOM 353 CA HIS A 22 -4.753 4.325 10.786 1.00 0.76 C ATOM 354 C HIS A 22 -3.538 5.154 11.197 1.00 0.88 C ATOM 355 O HIS A 22 -3.528 6.373 11.019 1.00 1.61 O ATOM 356 CB HIS A 22 -5.214 3.428 11.940 1.00 0.83 C ATOM 357 CG HIS A 22 -6.582 2.845 11.740 1.00 0.87 C ATOM 358 ND1 HIS A 22 -7.594 3.504 11.074 1.00 1.32 N ATOM 359 CD2 HIS A 22 -7.102 1.653 12.123 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.672 2.743 11.054 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.400 1.615 11.680 1.00 1.09 N ATOM 0 H HIS A 22 -3.762 2.809 9.732 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.561 5.015 10.543 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.498 2.616 12.066 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -5.207 4.007 12.864 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.590 0.878 12.674 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -9.618 3.001 10.601 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -9.049 0.840 11.813 1.00 1.09 H new ATOM 370 N SER A 23 -2.517 4.508 11.759 1.00 0.60 N ATOM 371 CA SER A 23 -1.316 5.229 12.179 1.00 0.62 C ATOM 372 C SER A 23 -0.068 4.347 12.132 1.00 0.52 C ATOM 373 O SER A 23 0.960 4.745 11.590 1.00 0.62 O ATOM 374 CB SER A 23 -1.488 5.777 13.597 1.00 0.84 C ATOM 375 OG SER A 23 -2.797 6.283 13.804 1.00 1.32 O ATOM 0 H SER A 23 -2.496 3.503 11.932 1.00 0.60 H new ATOM 0 HA SER A 23 -1.180 6.051 11.476 1.00 0.62 H new ATOM 0 HB2 SER A 23 -1.283 4.988 14.320 1.00 0.84 H new ATOM 0 HB3 SER A 23 -0.759 6.568 13.773 1.00 0.84 H new ATOM 0 HG SER A 23 -2.875 6.624 14.719 1.00 1.32 H new ATOM 381 N LYS A 24 -0.161 3.152 12.702 1.00 0.51 N ATOM 382 CA LYS A 24 0.980 2.243 12.749 1.00 0.51 C ATOM 383 C LYS A 24 0.766 1.030 11.848 1.00 0.44 C ATOM 384 O LYS A 24 1.356 -0.029 12.057 1.00 0.45 O ATOM 385 CB LYS A 24 1.251 1.792 14.193 1.00 0.71 C ATOM 386 CG LYS A 24 0.068 1.116 14.878 1.00 0.97 C ATOM 387 CD LYS A 24 -0.831 2.125 15.582 1.00 1.41 C ATOM 388 CE LYS A 24 -0.626 2.114 17.088 1.00 1.88 C ATOM 389 NZ LYS A 24 -1.096 0.847 17.705 1.00 2.36 N ATOM 0 H LYS A 24 -1.010 2.790 13.137 1.00 0.51 H new ATOM 0 HA LYS A 24 1.850 2.786 12.379 1.00 0.51 H new ATOM 0 HB2 LYS A 24 2.096 1.103 14.192 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.548 2.660 14.782 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -0.513 0.565 14.139 1.00 0.97 H new ATOM 0 HG3 LYS A 24 0.435 0.389 15.602 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -0.628 3.124 15.195 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -1.874 1.902 15.356 1.00 1.41 H new ATOM 0 HE2 LYS A 24 0.432 2.255 17.311 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -1.160 2.954 17.533 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -1.259 0.995 18.721 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -1.984 0.549 17.252 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -0.375 0.109 17.574 1.00 2.36 H new ATOM 403 N SER A 25 -0.084 1.192 10.846 1.00 0.43 N ATOM 404 CA SER A 25 -0.375 0.122 9.898 1.00 0.42 C ATOM 405 C SER A 25 -0.729 0.721 8.542 1.00 0.42 C ATOM 406 O SER A 25 -1.497 0.149 7.769 1.00 0.50 O ATOM 407 CB SER A 25 -1.529 -0.746 10.414 1.00 0.48 C ATOM 408 OG SER A 25 -1.417 -0.961 11.812 1.00 0.83 O ATOM 0 H SER A 25 -0.589 2.060 10.666 1.00 0.43 H new ATOM 0 HA SER A 25 0.508 -0.508 9.789 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.480 -0.262 10.192 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.529 -1.704 9.894 1.00 0.48 H new ATOM 0 HG SER A 25 -2.165 -1.516 12.119 1.00 0.83 H new ATOM 414 N THR A 26 -0.156 1.884 8.267 1.00 0.42 N ATOM 415 CA THR A 26 -0.400 2.596 7.026 1.00 0.43 C ATOM 416 C THR A 26 0.154 1.829 5.824 1.00 0.36 C ATOM 417 O THR A 26 1.365 1.801 5.590 1.00 0.41 O ATOM 418 CB THR A 26 0.230 3.998 7.089 1.00 0.51 C ATOM 419 OG1 THR A 26 -0.010 4.572 8.384 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.340 4.909 6.014 1.00 0.56 C ATOM 0 H THR A 26 0.490 2.358 8.898 1.00 0.42 H new ATOM 0 HA THR A 26 -1.479 2.688 6.899 1.00 0.43 H new ATOM 0 HB THR A 26 1.302 3.899 6.916 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.680 4.268 9.010 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.126 5.892 6.086 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.138 4.483 5.031 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.417 5.007 6.153 1.00 0.56 H new ATOM 428 N TRP A 27 -0.745 1.196 5.081 1.00 0.35 N ATOM 429 CA TRP A 27 -0.372 0.427 3.907 1.00 0.33 C ATOM 430 C TRP A 27 -0.724 1.188 2.639 1.00 0.32 C ATOM 431 O TRP A 27 -1.660 1.994 2.622 1.00 0.36 O ATOM 432 CB TRP A 27 -1.075 -0.935 3.915 1.00 0.38 C ATOM 433 CG TRP A 27 -0.593 -1.848 5.001 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.517 -1.682 5.772 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.203 -3.070 5.435 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.638 -2.720 6.659 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.404 -3.588 6.473 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.348 -3.775 5.049 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.714 -4.781 7.125 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.654 -4.956 5.697 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.839 -5.450 6.722 1.00 0.71 C ATOM 0 H TRP A 27 -1.746 1.202 5.276 1.00 0.35 H new ATOM 0 HA TRP A 27 0.706 0.266 3.930 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -2.148 -0.781 4.030 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.924 -1.419 2.950 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.203 -0.852 5.696 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.384 -2.828 7.346 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.982 -3.402 4.258 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.090 -5.163 7.919 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.537 -5.507 5.408 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.103 -6.379 7.206 1.00 0.71 H new ATOM 452 N LEU A 28 0.033 0.936 1.585 1.00 0.32 N ATOM 453 CA LEU A 28 -0.186 1.587 0.305 1.00 0.33 C ATOM 454 C LEU A 28 -0.141 0.560 -0.817 1.00 0.32 C ATOM 455 O LEU A 28 0.682 -0.356 -0.788 1.00 0.32 O ATOM 456 CB LEU A 28 0.882 2.661 0.071 1.00 0.36 C ATOM 457 CG LEU A 28 0.352 4.061 -0.227 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.435 5.095 0.012 1.00 0.85 C ATOM 459 CD2 LEU A 28 -0.148 4.145 -1.657 1.00 0.99 C ATOM 0 H LEU A 28 0.813 0.278 1.592 1.00 0.32 H new ATOM 0 HA LEU A 28 -1.168 2.060 0.315 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.519 2.713 0.954 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.513 2.346 -0.760 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.482 4.266 0.445 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.043 6.089 -0.204 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.757 5.051 1.052 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.284 4.890 -0.640 1.00 0.85 H new ATOM 0 HD21 LEU A 28 -0.522 5.150 -1.853 1.00 0.99 H new ATOM 0 HD22 LEU A 28 0.670 3.923 -2.342 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.951 3.423 -1.805 1.00 0.99 H new ATOM 471 N ILE A 29 -1.031 0.699 -1.791 1.00 0.35 N ATOM 472 CA ILE A 29 -1.060 -0.220 -2.918 1.00 0.36 C ATOM 473 C ILE A 29 -0.280 0.367 -4.082 1.00 0.36 C ATOM 474 O ILE A 29 -0.623 1.433 -4.599 1.00 0.39 O ATOM 475 CB ILE A 29 -2.493 -0.535 -3.400 1.00 0.42 C ATOM 476 CG1 ILE A 29 -3.459 -0.642 -2.220 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.502 -1.825 -4.213 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.912 -0.667 -2.643 1.00 0.80 C ATOM 0 H ILE A 29 -1.737 1.434 -1.823 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.609 -1.150 -2.571 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.827 0.286 -4.035 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -3.235 -1.547 -1.656 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -3.297 0.201 -1.548 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.517 -2.037 -4.548 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.850 -1.713 -5.080 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -2.145 -2.648 -3.594 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -5.547 -0.744 -1.760 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -5.150 0.250 -3.182 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -5.087 -1.525 -3.292 1.00 0.80 H new ATOM 490 N LEU A 30 0.780 -0.317 -4.471 1.00 0.34 N ATOM 491 CA LEU A 30 1.616 0.124 -5.575 1.00 0.37 C ATOM 492 C LEU A 30 1.818 -1.020 -6.554 1.00 0.38 C ATOM 493 O LEU A 30 2.374 -2.061 -6.198 1.00 0.38 O ATOM 494 CB LEU A 30 2.964 0.632 -5.059 1.00 0.38 C ATOM 495 CG LEU A 30 2.882 1.737 -4.003 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.246 1.983 -3.385 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.339 3.019 -4.613 1.00 0.48 C ATOM 0 H LEU A 30 1.085 -1.187 -4.035 1.00 0.34 H new ATOM 0 HA LEU A 30 1.118 0.946 -6.089 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.515 -0.210 -4.639 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.543 1.002 -5.905 1.00 0.38 H new ATOM 0 HG LEU A 30 2.199 1.412 -3.218 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.169 2.772 -2.636 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.602 1.067 -2.913 1.00 0.44 H new ATOM 0 HD13 LEU A 30 4.948 2.287 -4.162 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.288 3.793 -3.847 1.00 0.48 H new ATOM 0 HD22 LEU A 30 2.998 3.347 -5.417 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.341 2.838 -5.013 1.00 0.48 H new ATOM 509 N HIS A 31 1.329 -0.831 -7.775 1.00 0.41 N ATOM 510 CA HIS A 31 1.437 -1.835 -8.828 1.00 0.43 C ATOM 511 C HIS A 31 0.609 -3.061 -8.459 1.00 0.42 C ATOM 512 O HIS A 31 0.951 -4.188 -8.826 1.00 0.45 O ATOM 513 CB HIS A 31 2.901 -2.224 -9.079 1.00 0.47 C ATOM 514 CG HIS A 31 3.588 -1.369 -10.098 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.657 -1.699 -11.434 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.244 -0.190 -9.969 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.327 -0.765 -12.083 1.00 1.22 C ATOM 518 NE2 HIS A 31 4.692 0.163 -11.218 1.00 1.18 N ATOM 0 H HIS A 31 0.847 0.021 -8.062 1.00 0.41 H new ATOM 0 HA HIS A 31 1.048 -1.408 -9.753 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.449 -2.164 -8.139 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.940 -3.263 -9.405 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.387 0.367 -9.055 1.00 1.10 H new ATOM 0 HE1 HIS A 31 4.540 -0.761 -13.142 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.221 1.006 -11.441 1.00 1.18 H new ATOM 527 N HIS A 32 -0.486 -2.810 -7.727 1.00 0.42 N ATOM 528 CA HIS A 32 -1.413 -3.856 -7.277 1.00 0.44 C ATOM 529 C HIS A 32 -0.805 -4.706 -6.157 1.00 0.40 C ATOM 530 O HIS A 32 -1.279 -5.806 -5.870 1.00 0.44 O ATOM 531 CB HIS A 32 -1.865 -4.741 -8.448 1.00 0.52 C ATOM 532 CG HIS A 32 -2.711 -4.021 -9.456 1.00 0.68 C ATOM 533 ND1 HIS A 32 -2.353 -3.875 -10.781 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.911 -3.405 -9.326 1.00 0.85 C ATOM 535 CE1 HIS A 32 -3.293 -3.202 -11.418 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.251 -2.905 -10.559 1.00 0.97 N ATOM 0 H HIS A 32 -0.754 -1.872 -7.430 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.292 -3.354 -6.872 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -0.984 -5.145 -8.948 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.426 -5.589 -8.056 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.493 -3.322 -8.420 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -3.281 -2.939 -12.465 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.104 -2.389 -10.776 1.00 0.97 H new ATOM 545 N LYS A 33 0.236 -4.180 -5.522 1.00 0.37 N ATOM 546 CA LYS A 33 0.898 -4.870 -4.422 1.00 0.37 C ATOM 547 C LYS A 33 0.788 -4.027 -3.152 1.00 0.33 C ATOM 548 O LYS A 33 0.721 -2.802 -3.229 1.00 0.36 O ATOM 549 CB LYS A 33 2.366 -5.143 -4.757 1.00 0.40 C ATOM 550 CG LYS A 33 2.559 -5.955 -6.027 1.00 0.57 C ATOM 551 CD LYS A 33 4.026 -6.250 -6.280 1.00 0.79 C ATOM 552 CE LYS A 33 4.254 -6.805 -7.680 1.00 0.94 C ATOM 553 NZ LYS A 33 3.607 -8.133 -7.876 1.00 1.02 N ATOM 0 H LYS A 33 0.641 -3.273 -5.752 1.00 0.37 H new ATOM 0 HA LYS A 33 0.407 -5.830 -4.260 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.889 -4.192 -4.860 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.828 -5.672 -3.924 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.007 -6.891 -5.949 1.00 0.57 H new ATOM 0 HG3 LYS A 33 2.145 -5.410 -6.875 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.609 -5.338 -6.150 1.00 0.79 H new ATOM 0 HD3 LYS A 33 4.386 -6.966 -5.541 1.00 0.79 H new ATOM 0 HE2 LYS A 33 3.863 -6.101 -8.415 1.00 0.94 H new ATOM 0 HE3 LYS A 33 5.325 -6.895 -7.863 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 4.252 -8.759 -8.399 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 3.391 -8.554 -6.950 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 2.726 -8.014 -8.416 1.00 1.02 H new ATOM 567 N VAL A 34 0.777 -4.678 -1.995 1.00 0.30 N ATOM 568 CA VAL A 34 0.645 -3.976 -0.721 1.00 0.30 C ATOM 569 C VAL A 34 2.004 -3.753 -0.066 1.00 0.27 C ATOM 570 O VAL A 34 2.742 -4.704 0.206 1.00 0.28 O ATOM 571 CB VAL A 34 -0.264 -4.751 0.258 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.552 -3.911 1.495 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.559 -5.169 -0.425 1.00 0.35 C ATOM 0 H VAL A 34 0.858 -5.691 -1.911 1.00 0.30 H new ATOM 0 HA VAL A 34 0.191 -3.010 -0.942 1.00 0.30 H new ATOM 0 HB VAL A 34 0.259 -5.654 0.571 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.194 -4.472 2.174 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.385 -3.670 1.997 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -1.054 -2.989 1.200 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.184 -5.713 0.283 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -2.090 -4.282 -0.771 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.331 -5.811 -1.276 1.00 0.35 H new ATOM 583 N TYR A 35 2.326 -2.492 0.188 1.00 0.28 N ATOM 584 CA TYR A 35 3.591 -2.136 0.815 1.00 0.28 C ATOM 585 C TYR A 35 3.360 -1.432 2.148 1.00 0.30 C ATOM 586 O TYR A 35 2.525 -0.530 2.252 1.00 0.32 O ATOM 587 CB TYR A 35 4.404 -1.233 -0.114 1.00 0.31 C ATOM 588 CG TYR A 35 4.844 -1.909 -1.393 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.001 -2.674 -1.431 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.106 -1.779 -2.562 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.412 -3.290 -2.597 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.512 -2.392 -3.735 1.00 0.47 C ATOM 593 CZ TYR A 35 5.666 -3.146 -3.746 1.00 0.41 C ATOM 594 OH TYR A 35 6.080 -3.754 -4.912 1.00 0.48 O ATOM 0 H TYR A 35 1.726 -1.696 -0.031 1.00 0.28 H new ATOM 0 HA TYR A 35 4.147 -3.055 1.002 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.808 -0.355 -0.365 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.286 -0.878 0.420 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.590 -2.790 -0.533 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.201 -1.190 -2.556 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.315 -3.882 -2.608 1.00 0.40 H new ATOM 0 HE2 TYR A 35 3.928 -2.280 -4.636 1.00 0.47 H new ATOM 0 HH TYR A 35 6.573 -4.573 -4.697 1.00 0.48 H new ATOM 604 N ASP A 36 4.096 -1.862 3.167 1.00 0.32 N ATOM 605 CA ASP A 36 3.995 -1.275 4.499 1.00 0.36 C ATOM 606 C ASP A 36 5.073 -0.216 4.678 1.00 0.38 C ATOM 607 O ASP A 36 6.258 -0.532 4.793 1.00 0.50 O ATOM 608 CB ASP A 36 4.143 -2.359 5.578 1.00 0.43 C ATOM 609 CG ASP A 36 3.923 -1.848 6.997 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.583 -0.864 7.405 1.00 0.90 O ATOM 611 OD2 ASP A 36 3.110 -2.456 7.726 1.00 1.28 O ATOM 0 H ASP A 36 4.774 -2.621 3.095 1.00 0.32 H new ATOM 0 HA ASP A 36 3.014 -0.813 4.604 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.431 -3.160 5.376 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.140 -2.794 5.509 1.00 0.43 H new ATOM 616 N LEU A 37 4.659 1.037 4.688 1.00 0.37 N ATOM 617 CA LEU A 37 5.586 2.144 4.849 1.00 0.43 C ATOM 618 C LEU A 37 5.106 3.062 5.968 1.00 0.37 C ATOM 619 O LEU A 37 5.404 4.257 5.986 1.00 0.40 O ATOM 620 CB LEU A 37 5.732 2.926 3.532 1.00 0.56 C ATOM 621 CG LEU A 37 4.569 3.861 3.173 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.008 4.878 2.133 1.00 0.86 C ATOM 623 CD2 LEU A 37 3.371 3.074 2.668 1.00 0.80 C ATOM 0 H LEU A 37 3.683 1.316 4.586 1.00 0.37 H new ATOM 0 HA LEU A 37 6.565 1.746 5.115 1.00 0.43 H new ATOM 0 HB2 LEU A 37 6.646 3.518 3.583 1.00 0.56 H new ATOM 0 HB3 LEU A 37 5.861 2.210 2.720 1.00 0.56 H new ATOM 0 HG LEU A 37 4.270 4.390 4.078 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.172 5.533 1.889 1.00 0.86 H new ATOM 0 HD12 LEU A 37 5.831 5.472 2.530 1.00 0.86 H new ATOM 0 HD13 LEU A 37 5.337 4.359 1.233 1.00 0.86 H new ATOM 0 HD21 LEU A 37 2.562 3.761 2.421 1.00 0.80 H new ATOM 0 HD22 LEU A 37 3.654 2.512 1.778 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.037 2.383 3.442 1.00 0.80 H new ATOM 635 N THR A 38 4.402 2.472 6.928 1.00 0.34 N ATOM 636 CA THR A 38 3.848 3.217 8.052 1.00 0.36 C ATOM 637 C THR A 38 4.943 3.881 8.891 1.00 0.38 C ATOM 638 O THR A 38 4.687 4.852 9.600 1.00 0.44 O ATOM 639 CB THR A 38 2.968 2.305 8.942 1.00 0.41 C ATOM 640 OG1 THR A 38 2.027 3.097 9.679 1.00 0.48 O ATOM 641 CG2 THR A 38 3.806 1.481 9.908 1.00 0.48 C ATOM 0 H THR A 38 4.201 1.472 6.949 1.00 0.34 H new ATOM 0 HA THR A 38 3.223 4.007 7.635 1.00 0.36 H new ATOM 0 HB THR A 38 2.437 1.617 8.283 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.474 3.502 10.451 1.00 0.48 H new ATOM 0 HG21 THR A 38 3.152 0.855 10.514 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.494 0.850 9.346 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.374 2.148 10.557 1.00 0.48 H new ATOM 649 N LYS A 39 6.162 3.362 8.806 1.00 0.39 N ATOM 650 CA LYS A 39 7.279 3.927 9.553 1.00 0.47 C ATOM 651 C LYS A 39 8.277 4.573 8.603 1.00 0.47 C ATOM 652 O LYS A 39 9.375 4.952 9.001 1.00 0.59 O ATOM 653 CB LYS A 39 7.972 2.849 10.388 1.00 0.56 C ATOM 654 CG LYS A 39 7.148 2.372 11.574 1.00 0.75 C ATOM 655 CD LYS A 39 7.026 3.445 12.646 1.00 0.92 C ATOM 656 CE LYS A 39 6.054 3.030 13.736 1.00 1.27 C ATOM 657 NZ LYS A 39 6.194 3.872 14.951 1.00 1.50 N ATOM 0 H LYS A 39 6.402 2.555 8.230 1.00 0.39 H new ATOM 0 HA LYS A 39 6.888 4.689 10.227 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.199 1.996 9.748 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.923 3.238 10.751 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.153 2.084 11.233 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.609 1.482 12.002 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.006 3.637 13.084 1.00 0.92 H new ATOM 0 HD3 LYS A 39 6.691 4.378 12.193 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.034 3.102 13.360 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.224 1.985 13.996 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 5.513 3.557 15.672 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 7.160 3.784 15.325 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 6.006 4.866 14.708 1.00 1.50 H new ATOM 671 N PHE A 40 7.876 4.709 7.348 1.00 0.40 N ATOM 672 CA PHE A 40 8.735 5.297 6.332 1.00 0.44 C ATOM 673 C PHE A 40 8.107 6.569 5.775 1.00 0.40 C ATOM 674 O PHE A 40 8.611 7.157 4.824 1.00 0.42 O ATOM 675 CB PHE A 40 8.975 4.287 5.207 1.00 0.52 C ATOM 676 CG PHE A 40 10.324 4.407 4.559 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.459 3.953 5.212 1.00 1.66 C ATOM 678 CD2 PHE A 40 10.457 4.962 3.298 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.702 4.052 4.617 1.00 2.39 C ATOM 680 CE2 PHE A 40 11.696 5.065 2.698 1.00 2.45 C ATOM 681 CZ PHE A 40 12.820 4.609 3.358 1.00 2.68 C ATOM 0 H PHE A 40 6.959 4.419 7.008 1.00 0.40 H new ATOM 0 HA PHE A 40 9.691 5.556 6.786 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.863 3.279 5.607 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.205 4.415 4.446 1.00 0.52 H new ATOM 0 HD1 PHE A 40 11.371 3.517 6.196 1.00 1.66 H new ATOM 0 HD2 PHE A 40 9.581 5.319 2.777 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.580 3.695 5.135 1.00 2.39 H new ATOM 0 HE2 PHE A 40 11.786 5.501 1.714 1.00 2.45 H new ATOM 0 HZ PHE A 40 13.790 4.688 2.891 1.00 2.68 H new ATOM 691 N LEU A 41 7.014 6.995 6.396 1.00 0.39 N ATOM 692 CA LEU A 41 6.289 8.190 5.969 1.00 0.43 C ATOM 693 C LEU A 41 7.172 9.437 6.004 1.00 0.44 C ATOM 694 O LEU A 41 7.269 10.167 5.019 1.00 0.47 O ATOM 695 CB LEU A 41 5.057 8.398 6.857 1.00 0.49 C ATOM 696 CG LEU A 41 4.002 7.290 6.785 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.947 7.490 7.861 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.361 7.254 5.403 1.00 0.59 C ATOM 0 H LEU A 41 6.605 6.527 7.205 1.00 0.39 H new ATOM 0 HA LEU A 41 5.977 8.035 4.936 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.388 8.495 7.891 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.587 9.342 6.582 1.00 0.49 H new ATOM 0 HG LEU A 41 4.492 6.332 6.960 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.205 6.694 7.796 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.420 7.466 8.843 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.459 8.454 7.717 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.614 6.461 5.369 1.00 0.59 H new ATOM 0 HD22 LEU A 41 2.883 8.212 5.199 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.127 7.063 4.651 1.00 0.59 H new ATOM 710 N GLU A 42 7.823 9.674 7.135 1.00 0.49 N ATOM 711 CA GLU A 42 8.687 10.837 7.288 1.00 0.56 C ATOM 712 C GLU A 42 10.098 10.535 6.798 1.00 0.54 C ATOM 713 O GLU A 42 10.909 11.441 6.613 1.00 0.66 O ATOM 714 CB GLU A 42 8.719 11.287 8.747 1.00 0.67 C ATOM 715 CG GLU A 42 9.133 10.192 9.714 1.00 0.72 C ATOM 716 CD GLU A 42 9.126 10.664 11.150 1.00 0.93 C ATOM 717 OE1 GLU A 42 8.026 10.869 11.700 1.00 1.50 O ATOM 718 OE2 GLU A 42 10.217 10.828 11.736 1.00 1.40 O ATOM 0 H GLU A 42 7.769 9.076 7.960 1.00 0.49 H new ATOM 0 HA GLU A 42 8.280 11.645 6.680 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.409 12.125 8.844 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.731 11.653 9.027 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.457 9.343 9.609 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.131 9.839 9.454 1.00 0.72 H new ATOM 725 N GLU A 43 10.376 9.257 6.576 1.00 0.48 N ATOM 726 CA GLU A 43 11.683 8.828 6.103 1.00 0.50 C ATOM 727 C GLU A 43 11.722 8.881 4.586 1.00 0.43 C ATOM 728 O GLU A 43 12.721 8.530 3.956 1.00 0.54 O ATOM 729 CB GLU A 43 11.980 7.409 6.580 1.00 0.58 C ATOM 730 CG GLU A 43 11.870 7.234 8.084 1.00 0.76 C ATOM 731 CD GLU A 43 12.983 7.933 8.836 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.145 7.482 8.737 1.00 1.46 O ATOM 733 OE2 GLU A 43 12.698 8.927 9.539 1.00 1.56 O ATOM 0 H GLU A 43 9.710 8.498 6.717 1.00 0.48 H new ATOM 0 HA GLU A 43 12.441 9.499 6.507 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.291 6.720 6.092 1.00 0.58 H new ATOM 0 HB3 GLU A 43 12.986 7.132 6.264 1.00 0.58 H new ATOM 0 HG2 GLU A 43 10.909 7.622 8.422 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.886 6.171 8.324 1.00 0.76 H new ATOM 740 N HIS A 44 10.620 9.330 4.012 1.00 0.43 N ATOM 741 CA HIS A 44 10.480 9.438 2.575 1.00 0.39 C ATOM 742 C HIS A 44 10.632 10.896 2.148 1.00 0.43 C ATOM 743 O HIS A 44 9.987 11.783 2.711 1.00 0.51 O ATOM 744 CB HIS A 44 9.109 8.888 2.161 1.00 0.41 C ATOM 745 CG HIS A 44 8.848 8.934 0.691 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.975 9.819 0.099 1.00 0.42 N ATOM 747 CD2 HIS A 44 9.347 8.168 -0.313 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.968 9.571 -1.213 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.782 8.579 -1.514 1.00 0.41 N ATOM 0 H HIS A 44 9.796 9.630 4.533 1.00 0.43 H new ATOM 0 HA HIS A 44 11.258 8.856 2.081 1.00 0.39 H new ATOM 0 HB2 HIS A 44 9.027 7.856 2.501 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.333 9.455 2.674 1.00 0.41 H new ATOM 0 HD1 HIS A 44 7.430 10.536 0.578 1.00 0.42 H new ATOM 0 HD2 HIS A 44 10.065 7.370 -0.197 1.00 0.41 H new ATOM 0 HE1 HIS A 44 7.373 10.113 -1.934 1.00 0.40 H new ATOM 757 N PRO A 45 11.504 11.166 1.162 1.00 0.44 N ATOM 758 CA PRO A 45 11.743 12.526 0.663 1.00 0.53 C ATOM 759 C PRO A 45 10.486 13.156 0.069 1.00 0.62 C ATOM 760 O PRO A 45 9.811 12.552 -0.766 1.00 1.11 O ATOM 761 CB PRO A 45 12.809 12.337 -0.427 1.00 0.58 C ATOM 762 CG PRO A 45 12.741 10.895 -0.794 1.00 0.56 C ATOM 763 CD PRO A 45 12.318 10.168 0.449 1.00 0.44 C ATOM 0 HA PRO A 45 12.052 13.198 1.464 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.608 12.973 -1.289 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.800 12.603 -0.059 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.028 10.732 -1.602 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.709 10.536 -1.145 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.743 9.272 0.215 1.00 0.44 H new ATOM 0 HD3 PRO A 45 13.176 9.851 1.042 1.00 0.44 H new ATOM 771 N GLY A 46 10.171 14.363 0.515 1.00 0.75 N ATOM 772 CA GLY A 46 9.001 15.053 0.015 1.00 0.82 C ATOM 773 C GLY A 46 8.021 15.403 1.114 1.00 0.83 C ATOM 774 O GLY A 46 7.442 16.488 1.117 1.00 1.38 O ATOM 0 H GLY A 46 10.706 14.877 1.215 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.311 15.965 -0.495 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.503 14.427 -0.726 1.00 0.82 H new ATOM 778 N GLY A 47 7.838 14.487 2.052 1.00 0.66 N ATOM 779 CA GLY A 47 6.916 14.720 3.143 1.00 0.67 C ATOM 780 C GLY A 47 5.851 13.645 3.223 1.00 0.60 C ATOM 781 O GLY A 47 5.599 12.938 2.246 1.00 0.64 O ATOM 0 H GLY A 47 8.313 13.584 2.077 1.00 0.66 H new ATOM 0 HA2 GLY A 47 7.467 14.755 4.083 1.00 0.67 H new ATOM 0 HA3 GLY A 47 6.441 15.693 3.015 1.00 0.67 H new ATOM 785 N GLU A 48 5.210 13.532 4.374 1.00 0.61 N ATOM 786 CA GLU A 48 4.180 12.523 4.577 1.00 0.63 C ATOM 787 C GLU A 48 2.806 13.020 4.126 1.00 0.63 C ATOM 788 O GLU A 48 1.864 12.236 4.011 1.00 0.65 O ATOM 789 CB GLU A 48 4.122 12.101 6.051 1.00 0.76 C ATOM 790 CG GLU A 48 3.859 13.255 7.012 1.00 0.95 C ATOM 791 CD GLU A 48 5.128 13.935 7.488 1.00 1.21 C ATOM 792 OE1 GLU A 48 5.616 14.853 6.790 1.00 1.86 O ATOM 793 OE2 GLU A 48 5.635 13.563 8.569 1.00 1.79 O ATOM 0 H GLU A 48 5.384 14.127 5.184 1.00 0.61 H new ATOM 0 HA GLU A 48 4.446 11.660 3.966 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.339 11.352 6.174 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.065 11.624 6.320 1.00 0.76 H new ATOM 0 HG2 GLU A 48 3.222 13.991 6.521 1.00 0.95 H new ATOM 0 HG3 GLU A 48 3.308 12.882 7.875 1.00 0.95 H new ATOM 800 N GLU A 49 2.699 14.317 3.850 1.00 0.66 N ATOM 801 CA GLU A 49 1.435 14.921 3.423 1.00 0.74 C ATOM 802 C GLU A 49 0.879 14.256 2.161 1.00 0.68 C ATOM 803 O GLU A 49 -0.313 13.959 2.076 1.00 0.72 O ATOM 804 CB GLU A 49 1.622 16.415 3.166 1.00 0.86 C ATOM 805 CG GLU A 49 0.337 17.131 2.778 1.00 1.10 C ATOM 806 CD GLU A 49 -0.627 17.277 3.937 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.466 16.375 4.141 1.00 1.69 O ATOM 808 OE2 GLU A 49 -0.554 18.304 4.642 1.00 1.81 O ATOM 0 H GLU A 49 3.476 14.975 3.914 1.00 0.66 H new ATOM 0 HA GLU A 49 0.718 14.770 4.230 1.00 0.74 H new ATOM 0 HB2 GLU A 49 2.031 16.881 4.062 1.00 0.86 H new ATOM 0 HB3 GLU A 49 2.357 16.550 2.372 1.00 0.86 H new ATOM 0 HG2 GLU A 49 0.581 18.119 2.388 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -0.151 16.582 1.973 1.00 1.10 H new ATOM 815 N VAL A 50 1.746 14.008 1.189 1.00 0.63 N ATOM 816 CA VAL A 50 1.321 13.394 -0.064 1.00 0.60 C ATOM 817 C VAL A 50 1.193 11.880 0.065 1.00 0.54 C ATOM 818 O VAL A 50 0.762 11.204 -0.868 1.00 0.54 O ATOM 819 CB VAL A 50 2.284 13.730 -1.219 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.161 15.198 -1.600 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.721 13.396 -0.843 1.00 0.62 C ATOM 0 H VAL A 50 2.742 14.220 1.242 1.00 0.63 H new ATOM 0 HA VAL A 50 0.340 13.811 -0.293 1.00 0.60 H new ATOM 0 HB VAL A 50 2.009 13.121 -2.080 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.847 15.421 -2.417 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.139 15.407 -1.917 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.408 15.819 -0.739 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.381 13.642 -1.675 1.00 0.62 H new ATOM 0 HG22 VAL A 50 4.011 13.974 0.034 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.801 12.332 -0.619 1.00 0.62 H new ATOM 831 N LEU A 51 1.554 11.351 1.229 1.00 0.52 N ATOM 832 CA LEU A 51 1.475 9.917 1.468 1.00 0.50 C ATOM 833 C LEU A 51 0.235 9.573 2.286 1.00 0.53 C ATOM 834 O LEU A 51 -0.437 8.580 2.016 1.00 0.55 O ATOM 835 CB LEU A 51 2.730 9.424 2.191 1.00 0.48 C ATOM 836 CG LEU A 51 4.024 9.487 1.374 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.231 9.242 2.266 1.00 0.49 C ATOM 838 CD2 LEU A 51 3.991 8.471 0.239 1.00 0.47 C ATOM 0 H LEU A 51 1.903 11.893 2.019 1.00 0.52 H new ATOM 0 HA LEU A 51 1.405 9.417 0.502 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.863 10.015 3.097 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.567 8.393 2.504 1.00 0.48 H new ATOM 0 HG LEU A 51 4.108 10.485 0.943 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.141 9.291 1.668 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.268 10.003 3.045 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.150 8.256 2.725 1.00 0.49 H new ATOM 0 HD21 LEU A 51 4.919 8.531 -0.330 1.00 0.47 H new ATOM 0 HD22 LEU A 51 3.882 7.468 0.652 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.148 8.686 -0.418 1.00 0.47 H new ATOM 850 N ARG A 52 -0.077 10.415 3.268 1.00 0.59 N ATOM 851 CA ARG A 52 -1.233 10.197 4.140 1.00 0.66 C ATOM 852 C ARG A 52 -2.542 10.196 3.354 1.00 0.65 C ATOM 853 O ARG A 52 -3.497 9.521 3.729 1.00 0.69 O ATOM 854 CB ARG A 52 -1.287 11.258 5.247 1.00 0.79 C ATOM 855 CG ARG A 52 -1.298 12.692 4.736 1.00 0.97 C ATOM 856 CD ARG A 52 -2.540 13.449 5.189 1.00 1.22 C ATOM 857 NE ARG A 52 -2.623 13.546 6.644 1.00 1.50 N ATOM 858 CZ ARG A 52 -2.465 14.679 7.333 1.00 1.90 C ATOM 859 NH1 ARG A 52 -2.159 15.815 6.712 1.00 2.00 N ATOM 860 NH2 ARG A 52 -2.598 14.671 8.654 1.00 2.61 N ATOM 0 H ARG A 52 0.456 11.258 3.482 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.112 9.214 4.595 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.179 11.092 5.851 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.428 11.125 5.905 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.408 13.210 5.091 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -1.252 12.689 3.647 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.531 14.451 4.759 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.429 12.947 4.808 1.00 1.22 H new ATOM 0 HE ARG A 52 -2.814 12.692 7.168 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.043 15.827 5.699 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -2.041 16.674 7.249 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -2.820 13.802 9.139 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -2.478 15.534 9.184 1.00 2.61 H new ATOM 874 N GLU A 53 -2.581 10.940 2.256 1.00 0.64 N ATOM 875 CA GLU A 53 -3.786 11.008 1.435 1.00 0.68 C ATOM 876 C GLU A 53 -3.937 9.765 0.564 1.00 0.65 C ATOM 877 O GLU A 53 -5.005 9.515 0.005 1.00 0.78 O ATOM 878 CB GLU A 53 -3.779 12.267 0.569 1.00 0.72 C ATOM 879 CG GLU A 53 -2.564 12.387 -0.337 1.00 0.67 C ATOM 880 CD GLU A 53 -2.675 13.554 -1.293 1.00 0.81 C ATOM 881 OE1 GLU A 53 -2.814 14.699 -0.821 1.00 1.35 O ATOM 882 OE2 GLU A 53 -2.638 13.329 -2.525 1.00 1.26 O ATOM 0 H GLU A 53 -1.800 11.501 1.914 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.642 11.052 2.109 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.680 12.279 -0.045 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.824 13.142 1.217 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.668 12.504 0.273 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.444 11.465 -0.905 1.00 0.67 H new ATOM 889 N GLN A 54 -2.874 8.982 0.460 1.00 0.57 N ATOM 890 CA GLN A 54 -2.898 7.762 -0.337 1.00 0.58 C ATOM 891 C GLN A 54 -2.904 6.540 0.576 1.00 0.57 C ATOM 892 O GLN A 54 -2.801 5.402 0.119 1.00 0.60 O ATOM 893 CB GLN A 54 -1.689 7.715 -1.277 1.00 0.57 C ATOM 894 CG GLN A 54 -1.632 8.875 -2.261 1.00 0.64 C ATOM 895 CD GLN A 54 -2.702 8.792 -3.335 1.00 0.81 C ATOM 896 OE1 GLN A 54 -2.465 8.268 -4.422 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.884 9.304 -3.036 1.00 0.96 N ATOM 0 H GLN A 54 -1.982 9.169 0.918 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.806 7.756 -0.940 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.777 7.711 -0.681 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.710 6.778 -1.834 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.743 9.813 -1.716 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.650 8.896 -2.734 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.039 9.730 -2.122 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.641 9.273 -3.719 1.00 0.96 H new ATOM 906 N ALA A 55 -3.038 6.792 1.873 1.00 0.58 N ATOM 907 CA ALA A 55 -3.060 5.731 2.868 1.00 0.60 C ATOM 908 C ALA A 55 -4.277 4.833 2.679 1.00 0.61 C ATOM 909 O ALA A 55 -5.417 5.292 2.777 1.00 0.68 O ATOM 910 CB ALA A 55 -3.055 6.327 4.266 1.00 0.65 C ATOM 0 H ALA A 55 -3.134 7.731 2.261 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.166 5.121 2.740 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -3.072 5.525 5.004 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -2.155 6.927 4.403 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.935 6.957 4.396 1.00 0.65 H new ATOM 916 N GLY A 56 -4.028 3.560 2.399 1.00 0.59 N ATOM 917 CA GLY A 56 -5.104 2.612 2.197 1.00 0.64 C ATOM 918 C GLY A 56 -5.645 2.643 0.781 1.00 0.62 C ATOM 919 O GLY A 56 -6.691 2.056 0.494 1.00 0.66 O ATOM 0 H GLY A 56 -3.092 3.166 2.308 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.747 1.608 2.424 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -5.912 2.829 2.896 1.00 0.64 H new ATOM 923 N GLY A 57 -4.931 3.325 -0.103 1.00 0.63 N ATOM 924 CA GLY A 57 -5.352 3.423 -1.484 1.00 0.65 C ATOM 925 C GLY A 57 -4.252 3.033 -2.444 1.00 0.59 C ATOM 926 O GLY A 57 -3.151 2.659 -2.025 1.00 0.55 O ATOM 0 H GLY A 57 -4.063 3.815 0.114 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.217 2.780 -1.645 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.670 4.444 -1.694 1.00 0.65 H new ATOM 930 N ASP A 58 -4.541 3.122 -3.729 1.00 0.65 N ATOM 931 CA ASP A 58 -3.573 2.772 -4.754 1.00 0.62 C ATOM 932 C ASP A 58 -2.942 4.033 -5.328 1.00 0.61 C ATOM 933 O ASP A 58 -3.643 4.943 -5.767 1.00 0.71 O ATOM 934 CB ASP A 58 -4.243 1.958 -5.871 1.00 0.69 C ATOM 935 CG ASP A 58 -3.262 1.467 -6.923 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.709 2.300 -7.672 1.00 1.51 O ATOM 937 OD2 ASP A 58 -3.056 0.237 -7.033 1.00 1.32 O ATOM 0 H ASP A 58 -5.442 3.435 -4.090 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.792 2.160 -4.302 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.754 1.101 -5.431 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -5.005 2.571 -6.352 1.00 0.69 H new ATOM 942 N ALA A 59 -1.617 4.082 -5.312 1.00 0.55 N ATOM 943 CA ALA A 59 -0.885 5.229 -5.826 1.00 0.57 C ATOM 944 C ALA A 59 0.061 4.798 -6.938 1.00 0.54 C ATOM 945 O ALA A 59 1.104 5.418 -7.159 1.00 0.54 O ATOM 946 CB ALA A 59 -0.117 5.909 -4.702 1.00 0.60 C ATOM 0 H ALA A 59 -1.025 3.336 -4.946 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.597 5.943 -6.239 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.427 6.766 -5.099 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.815 6.246 -3.936 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.589 5.203 -4.264 1.00 0.60 H new ATOM 952 N THR A 60 -0.315 3.735 -7.639 1.00 0.56 N ATOM 953 CA THR A 60 0.493 3.210 -8.730 1.00 0.57 C ATOM 954 C THR A 60 0.739 4.279 -9.782 1.00 0.57 C ATOM 955 O THR A 60 1.868 4.453 -10.246 1.00 0.58 O ATOM 956 CB THR A 60 -0.183 1.995 -9.394 1.00 0.64 C ATOM 957 OG1 THR A 60 -0.512 1.021 -8.396 1.00 0.67 O ATOM 958 CG2 THR A 60 0.727 1.366 -10.441 1.00 0.71 C ATOM 0 H THR A 60 -1.178 3.219 -7.469 1.00 0.56 H new ATOM 0 HA THR A 60 1.445 2.895 -8.303 1.00 0.57 H new ATOM 0 HB THR A 60 -1.091 2.338 -9.890 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.943 0.250 -8.821 1.00 0.67 H new ATOM 0 HG21 THR A 60 0.225 0.511 -10.893 1.00 0.71 H new ATOM 0 HG22 THR A 60 0.957 2.101 -11.212 1.00 0.71 H new ATOM 0 HG23 THR A 60 1.651 1.035 -9.968 1.00 0.71 H new ATOM 966 N GLU A 61 -0.314 5.018 -10.119 1.00 0.62 N ATOM 967 CA GLU A 61 -0.223 6.075 -11.115 1.00 0.67 C ATOM 968 C GLU A 61 0.789 7.141 -10.696 1.00 0.63 C ATOM 969 O GLU A 61 1.535 7.644 -11.524 1.00 0.74 O ATOM 970 CB GLU A 61 -1.597 6.713 -11.358 1.00 0.78 C ATOM 971 CG GLU A 61 -2.244 7.281 -10.101 1.00 0.83 C ATOM 972 CD GLU A 61 -3.617 7.865 -10.358 1.00 1.06 C ATOM 973 OE1 GLU A 61 -3.699 8.971 -10.936 1.00 1.64 O ATOM 974 OE2 GLU A 61 -4.623 7.216 -10.000 1.00 1.48 O ATOM 0 H GLU A 61 -1.243 4.902 -9.714 1.00 0.62 H new ATOM 0 HA GLU A 61 0.121 5.625 -12.046 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.491 7.511 -12.093 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.262 5.966 -11.792 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.324 6.493 -9.352 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.598 8.054 -9.683 1.00 0.83 H new ATOM 981 N ASN A 62 0.826 7.455 -9.406 1.00 0.56 N ATOM 982 CA ASN A 62 1.749 8.461 -8.886 1.00 0.55 C ATOM 983 C ASN A 62 3.180 7.927 -8.885 1.00 0.50 C ATOM 984 O ASN A 62 4.120 8.626 -9.265 1.00 0.50 O ATOM 985 CB ASN A 62 1.333 8.865 -7.465 1.00 0.58 C ATOM 986 CG ASN A 62 1.888 10.212 -7.037 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.964 10.624 -7.458 1.00 1.28 O ATOM 988 ND2 ASN A 62 1.156 10.903 -6.178 1.00 1.32 N ATOM 0 H ASN A 62 0.227 7.028 -8.699 1.00 0.56 H new ATOM 0 HA ASN A 62 1.710 9.338 -9.532 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.245 8.893 -7.406 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.670 8.101 -6.764 1.00 0.58 H new ATOM 0 HD21 ASN A 62 1.482 11.810 -5.844 1.00 1.32 H new ATOM 0 HD22 ASN A 62 0.266 10.529 -5.850 1.00 1.32 H new ATOM 995 N PHE A 63 3.321 6.668 -8.484 1.00 0.48 N ATOM 996 CA PHE A 63 4.619 6.000 -8.415 1.00 0.46 C ATOM 997 C PHE A 63 5.359 6.069 -9.750 1.00 0.49 C ATOM 998 O PHE A 63 6.542 6.420 -9.802 1.00 0.50 O ATOM 999 CB PHE A 63 4.420 4.536 -8.005 1.00 0.48 C ATOM 1000 CG PHE A 63 5.679 3.844 -7.556 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.509 3.215 -8.470 1.00 0.70 C ATOM 1002 CD2 PHE A 63 6.025 3.818 -6.216 1.00 0.63 C ATOM 1003 CE1 PHE A 63 7.658 2.569 -8.055 1.00 0.77 C ATOM 1004 CE2 PHE A 63 7.174 3.175 -5.794 1.00 0.76 C ATOM 1005 CZ PHE A 63 7.994 2.551 -6.715 1.00 0.73 C ATOM 0 H PHE A 63 2.539 6.080 -8.197 1.00 0.48 H new ATOM 0 HA PHE A 63 5.227 6.515 -7.671 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.688 4.493 -7.199 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.999 3.988 -8.848 1.00 0.48 H new ATOM 0 HD1 PHE A 63 6.255 3.230 -9.520 1.00 0.70 H new ATOM 0 HD2 PHE A 63 5.390 4.306 -5.491 1.00 0.63 H new ATOM 0 HE1 PHE A 63 8.293 2.078 -8.778 1.00 0.77 H new ATOM 0 HE2 PHE A 63 7.431 3.160 -4.745 1.00 0.76 H new ATOM 0 HZ PHE A 63 8.894 2.051 -6.388 1.00 0.73 H new ATOM 1015 N GLU A 64 4.661 5.736 -10.826 1.00 0.53 N ATOM 1016 CA GLU A 64 5.260 5.745 -12.153 1.00 0.58 C ATOM 1017 C GLU A 64 5.265 7.148 -12.754 1.00 0.57 C ATOM 1018 O GLU A 64 6.115 7.466 -13.589 1.00 0.65 O ATOM 1019 CB GLU A 64 4.519 4.775 -13.073 1.00 0.69 C ATOM 1020 CG GLU A 64 3.008 4.941 -13.048 1.00 1.08 C ATOM 1021 CD GLU A 64 2.286 3.843 -13.799 1.00 1.47 C ATOM 1022 OE1 GLU A 64 2.456 2.658 -13.436 1.00 1.88 O ATOM 1023 OE2 GLU A 64 1.541 4.160 -14.752 1.00 1.89 O ATOM 0 H GLU A 64 3.680 5.456 -10.807 1.00 0.53 H new ATOM 0 HA GLU A 64 6.296 5.422 -12.055 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.874 4.914 -14.094 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.768 3.754 -12.785 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.665 4.954 -12.013 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.746 5.906 -13.482 1.00 1.08 H new ATOM 1030 N ASP A 65 4.324 7.983 -12.323 1.00 0.54 N ATOM 1031 CA ASP A 65 4.225 9.352 -12.819 1.00 0.55 C ATOM 1032 C ASP A 65 5.467 10.141 -12.450 1.00 0.53 C ATOM 1033 O ASP A 65 6.067 10.809 -13.289 1.00 0.58 O ATOM 1034 CB ASP A 65 2.991 10.046 -12.244 1.00 0.57 C ATOM 1035 CG ASP A 65 2.644 11.318 -12.983 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.086 11.228 -14.098 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.921 12.412 -12.450 1.00 0.79 O ATOM 0 H ASP A 65 3.618 7.735 -11.630 1.00 0.54 H new ATOM 0 HA ASP A 65 4.136 9.311 -13.905 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.142 9.363 -12.285 1.00 0.57 H new ATOM 0 HB3 ASP A 65 3.165 10.276 -11.193 1.00 0.57 H new ATOM 1042 N VAL A 66 5.851 10.056 -11.186 1.00 0.50 N ATOM 1043 CA VAL A 66 7.032 10.754 -10.696 1.00 0.52 C ATOM 1044 C VAL A 66 8.296 10.160 -11.309 1.00 0.50 C ATOM 1045 O VAL A 66 9.183 10.887 -11.765 1.00 0.55 O ATOM 1046 CB VAL A 66 7.127 10.684 -9.157 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.421 11.314 -8.663 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.928 11.371 -8.520 1.00 0.60 C ATOM 0 H VAL A 66 5.361 9.509 -10.478 1.00 0.50 H new ATOM 0 HA VAL A 66 6.941 11.799 -10.992 1.00 0.52 H new ATOM 0 HB VAL A 66 7.126 9.634 -8.864 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.464 11.252 -7.576 1.00 0.67 H new ATOM 0 HG12 VAL A 66 9.271 10.782 -9.091 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.456 12.360 -8.968 1.00 0.67 H new ATOM 0 HG21 VAL A 66 6.010 11.313 -7.435 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.902 12.417 -8.827 1.00 0.60 H new ATOM 0 HG23 VAL A 66 5.012 10.876 -8.842 1.00 0.60 H new ATOM 1058 N GLY A 67 8.354 8.838 -11.344 1.00 0.50 N ATOM 1059 CA GLY A 67 9.508 8.161 -11.890 1.00 0.54 C ATOM 1060 C GLY A 67 10.504 7.821 -10.808 1.00 0.54 C ATOM 1061 O GLY A 67 11.330 8.653 -10.427 1.00 0.82 O ATOM 0 H GLY A 67 7.618 8.220 -11.002 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.192 7.249 -12.397 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.983 8.794 -12.640 1.00 0.54 H new ATOM 1065 N HIS A 68 10.423 6.599 -10.306 1.00 0.45 N ATOM 1066 CA HIS A 68 11.311 6.146 -9.242 1.00 0.42 C ATOM 1067 C HIS A 68 12.567 5.500 -9.811 1.00 0.47 C ATOM 1068 O HIS A 68 12.510 4.790 -10.816 1.00 0.58 O ATOM 1069 CB HIS A 68 10.580 5.156 -8.334 1.00 0.39 C ATOM 1070 CG HIS A 68 9.658 5.817 -7.354 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.465 6.416 -7.699 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.779 5.973 -6.015 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.916 6.908 -6.584 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.674 6.666 -5.535 1.00 0.40 N ATOM 0 H HIS A 68 9.750 5.899 -10.618 1.00 0.45 H new ATOM 0 HA HIS A 68 11.611 7.017 -8.659 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.007 4.463 -8.951 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.315 4.564 -7.788 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.071 6.473 -8.638 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.603 5.616 -5.415 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.974 7.435 -6.548 1.00 0.35 H new ATOM 1082 N SER A 69 13.700 5.761 -9.174 1.00 0.45 N ATOM 1083 CA SER A 69 14.965 5.196 -9.615 1.00 0.50 C ATOM 1084 C SER A 69 15.002 3.687 -9.373 1.00 0.50 C ATOM 1085 O SER A 69 14.159 3.137 -8.656 1.00 0.46 O ATOM 1086 CB SER A 69 16.120 5.886 -8.894 1.00 0.55 C ATOM 1087 OG SER A 69 16.037 7.293 -9.051 1.00 1.01 O ATOM 0 H SER A 69 13.768 6.360 -8.351 1.00 0.45 H new ATOM 0 HA SER A 69 15.067 5.364 -10.687 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.099 5.631 -7.834 1.00 0.55 H new ATOM 0 HB3 SER A 69 17.070 5.526 -9.289 1.00 0.55 H new ATOM 0 HG SER A 69 15.334 7.647 -8.466 1.00 1.01 H new ATOM 1093 N THR A 70 15.979 3.026 -9.975 1.00 0.59 N ATOM 1094 CA THR A 70 16.133 1.586 -9.856 1.00 0.64 C ATOM 1095 C THR A 70 16.278 1.147 -8.396 1.00 0.61 C ATOM 1096 O THR A 70 15.597 0.228 -7.948 1.00 0.66 O ATOM 1097 CB THR A 70 17.349 1.121 -10.670 1.00 0.78 C ATOM 1098 OG1 THR A 70 18.040 2.267 -11.189 1.00 0.89 O ATOM 1099 CG2 THR A 70 16.922 0.228 -11.822 1.00 1.08 C ATOM 0 H THR A 70 16.686 3.473 -10.559 1.00 0.59 H new ATOM 0 HA THR A 70 15.230 1.121 -10.251 1.00 0.64 H new ATOM 0 HB THR A 70 18.007 0.550 -10.014 1.00 0.78 H new ATOM 0 HG1 THR A 70 17.568 2.603 -11.979 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.802 -0.088 -12.383 1.00 1.08 H new ATOM 0 HG22 THR A 70 16.407 -0.649 -11.431 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.251 0.779 -12.480 1.00 1.08 H new ATOM 1107 N ASP A 71 17.148 1.826 -7.655 1.00 0.60 N ATOM 1108 CA ASP A 71 17.366 1.505 -6.244 1.00 0.61 C ATOM 1109 C ASP A 71 16.079 1.688 -5.445 1.00 0.54 C ATOM 1110 O ASP A 71 15.740 0.864 -4.596 1.00 0.56 O ATOM 1111 CB ASP A 71 18.468 2.391 -5.654 1.00 0.70 C ATOM 1112 CG ASP A 71 18.537 2.310 -4.134 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.135 1.345 -3.609 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.001 3.214 -3.457 1.00 1.29 O ATOM 0 H ASP A 71 17.713 2.600 -8.004 1.00 0.60 H new ATOM 0 HA ASP A 71 17.677 0.462 -6.181 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.430 2.095 -6.073 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.295 3.425 -5.951 1.00 0.70 H new ATOM 1119 N ALA A 72 15.355 2.755 -5.753 1.00 0.48 N ATOM 1120 CA ALA A 72 14.114 3.077 -5.062 1.00 0.44 C ATOM 1121 C ALA A 72 13.061 1.987 -5.234 1.00 0.42 C ATOM 1122 O ALA A 72 12.464 1.533 -4.258 1.00 0.43 O ATOM 1123 CB ALA A 72 13.574 4.409 -5.559 1.00 0.47 C ATOM 0 H ALA A 72 15.609 3.419 -6.485 1.00 0.48 H new ATOM 0 HA ALA A 72 14.339 3.147 -3.998 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.646 4.643 -5.037 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.306 5.193 -5.366 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.383 4.347 -6.630 1.00 0.47 H new ATOM 1129 N ARG A 73 12.846 1.550 -6.467 1.00 0.44 N ATOM 1130 CA ARG A 73 11.843 0.526 -6.734 1.00 0.48 C ATOM 1131 C ARG A 73 12.255 -0.831 -6.156 1.00 0.49 C ATOM 1132 O ARG A 73 11.408 -1.586 -5.686 1.00 0.56 O ATOM 1133 CB ARG A 73 11.540 0.425 -8.239 1.00 0.54 C ATOM 1134 CG ARG A 73 12.707 -0.040 -9.097 1.00 0.68 C ATOM 1135 CD ARG A 73 12.558 -1.501 -9.495 1.00 0.74 C ATOM 1136 NE ARG A 73 11.253 -1.777 -10.095 1.00 0.90 N ATOM 1137 CZ ARG A 73 10.663 -2.972 -10.074 1.00 1.08 C ATOM 1138 NH1 ARG A 73 11.250 -3.998 -9.474 1.00 1.08 N ATOM 1139 NH2 ARG A 73 9.476 -3.133 -10.649 1.00 1.36 N ATOM 0 H ARG A 73 13.346 1.884 -7.291 1.00 0.44 H new ATOM 0 HA ARG A 73 10.925 0.827 -6.229 1.00 0.48 H new ATOM 0 HB2 ARG A 73 10.706 -0.263 -8.382 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.212 1.402 -8.595 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.770 0.578 -9.993 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.640 0.096 -8.549 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.345 -1.766 -10.201 1.00 0.74 H new ATOM 0 HD3 ARG A 73 12.693 -2.131 -8.616 1.00 0.74 H new ATOM 0 HE ARG A 73 10.765 -1.009 -10.557 1.00 0.90 H new ATOM 0 HH11 ARG A 73 12.158 -3.875 -9.025 1.00 1.08 H new ATOM 0 HH12 ARG A 73 10.794 -4.910 -9.461 1.00 1.08 H new ATOM 0 HH21 ARG A 73 9.019 -2.343 -11.105 1.00 1.36 H new ATOM 0 HH22 ARG A 73 9.022 -4.046 -10.635 1.00 1.36 H new ATOM 1153 N GLU A 74 13.549 -1.127 -6.159 1.00 0.47 N ATOM 1154 CA GLU A 74 14.039 -2.396 -5.621 1.00 0.51 C ATOM 1155 C GLU A 74 14.025 -2.381 -4.094 1.00 0.49 C ATOM 1156 O GLU A 74 13.969 -3.430 -3.451 1.00 0.55 O ATOM 1157 CB GLU A 74 15.451 -2.688 -6.132 1.00 0.57 C ATOM 1158 CG GLU A 74 15.512 -2.976 -7.623 1.00 0.65 C ATOM 1159 CD GLU A 74 14.758 -4.233 -8.009 1.00 0.75 C ATOM 1160 OE1 GLU A 74 13.526 -4.164 -8.190 1.00 0.84 O ATOM 1161 OE2 GLU A 74 15.399 -5.296 -8.149 1.00 1.01 O ATOM 0 H GLU A 74 14.276 -0.512 -6.525 1.00 0.47 H new ATOM 0 HA GLU A 74 13.372 -3.187 -5.964 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.092 -1.835 -5.909 1.00 0.57 H new ATOM 0 HB3 GLU A 74 15.855 -3.542 -5.589 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.099 -2.128 -8.170 1.00 0.65 H new ATOM 0 HG3 GLU A 74 16.554 -3.075 -7.927 1.00 0.65 H new ATOM 1168 N LEU A 75 14.070 -1.184 -3.523 1.00 0.47 N ATOM 1169 CA LEU A 75 14.063 -1.013 -2.075 1.00 0.48 C ATOM 1170 C LEU A 75 12.684 -1.321 -1.495 1.00 0.43 C ATOM 1171 O LEU A 75 12.560 -1.720 -0.337 1.00 0.44 O ATOM 1172 CB LEU A 75 14.468 0.422 -1.721 1.00 0.53 C ATOM 1173 CG LEU A 75 14.551 0.736 -0.226 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.883 0.281 0.343 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.340 2.224 0.018 1.00 0.61 C ATOM 0 H LEU A 75 14.112 -0.309 -4.046 1.00 0.47 H new ATOM 0 HA LEU A 75 14.780 -1.711 -1.643 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.439 0.628 -2.172 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.753 1.106 -2.178 1.00 0.53 H new ATOM 0 HG LEU A 75 13.759 0.189 0.286 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.922 0.513 1.407 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.991 -0.794 0.202 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.694 0.797 -0.171 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.402 2.430 1.087 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.109 2.791 -0.506 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.357 2.518 -0.351 1.00 0.61 H new ATOM 1187 N SER A 76 11.652 -1.161 -2.316 1.00 0.45 N ATOM 1188 CA SER A 76 10.282 -1.403 -1.878 1.00 0.46 C ATOM 1189 C SER A 76 10.065 -2.877 -1.536 1.00 0.43 C ATOM 1190 O SER A 76 9.122 -3.233 -0.830 1.00 0.45 O ATOM 1191 CB SER A 76 9.293 -0.961 -2.963 1.00 0.55 C ATOM 1192 OG SER A 76 9.323 -1.842 -4.073 1.00 0.82 O ATOM 0 H SER A 76 11.738 -0.865 -3.288 1.00 0.45 H new ATOM 0 HA SER A 76 10.107 -0.816 -0.976 1.00 0.46 H new ATOM 0 HB2 SER A 76 8.285 -0.928 -2.549 1.00 0.55 H new ATOM 0 HB3 SER A 76 9.536 0.050 -3.291 1.00 0.55 H new ATOM 0 HG SER A 76 10.221 -1.842 -4.466 1.00 0.82 H new ATOM 1198 N LYS A 77 10.974 -3.723 -2.011 1.00 0.45 N ATOM 1199 CA LYS A 77 10.894 -5.161 -1.789 1.00 0.51 C ATOM 1200 C LYS A 77 11.001 -5.517 -0.304 1.00 0.47 C ATOM 1201 O LYS A 77 10.630 -6.614 0.108 1.00 0.56 O ATOM 1202 CB LYS A 77 12.000 -5.866 -2.569 1.00 0.63 C ATOM 1203 CG LYS A 77 11.714 -7.324 -2.857 1.00 0.94 C ATOM 1204 CD LYS A 77 12.874 -7.972 -3.582 1.00 1.20 C ATOM 1205 CE LYS A 77 12.499 -9.331 -4.133 1.00 1.60 C ATOM 1206 NZ LYS A 77 13.586 -9.904 -4.969 1.00 1.89 N ATOM 0 H LYS A 77 11.784 -3.431 -2.559 1.00 0.45 H new ATOM 0 HA LYS A 77 9.919 -5.497 -2.141 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.155 -5.343 -3.513 1.00 0.63 H new ATOM 0 HB3 LYS A 77 12.931 -5.793 -2.007 1.00 0.63 H new ATOM 0 HG2 LYS A 77 11.524 -7.852 -1.923 1.00 0.94 H new ATOM 0 HG3 LYS A 77 10.810 -7.409 -3.461 1.00 0.94 H new ATOM 0 HD2 LYS A 77 13.201 -7.326 -4.397 1.00 1.20 H new ATOM 0 HD3 LYS A 77 13.718 -8.076 -2.900 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.278 -10.009 -3.309 1.00 1.60 H new ATOM 0 HE3 LYS A 77 11.590 -9.244 -4.728 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 13.293 -10.835 -5.329 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 13.780 -9.269 -5.769 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 14.446 -10.010 -4.395 1.00 1.89 H new ATOM 1220 N THR A 78 11.514 -4.601 0.501 1.00 0.42 N ATOM 1221 CA THR A 78 11.642 -4.858 1.927 1.00 0.48 C ATOM 1222 C THR A 78 10.383 -4.406 2.673 1.00 0.43 C ATOM 1223 O THR A 78 10.211 -4.692 3.859 1.00 0.53 O ATOM 1224 CB THR A 78 12.906 -4.182 2.515 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.380 -4.925 3.650 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.637 -2.742 2.926 1.00 0.63 C ATOM 0 H THR A 78 11.845 -3.685 0.198 1.00 0.42 H new ATOM 0 HA THR A 78 11.754 -5.934 2.062 1.00 0.48 H new ATOM 0 HB THR A 78 13.667 -4.174 1.734 1.00 0.59 H new ATOM 0 HG1 THR A 78 14.180 -4.491 4.014 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.548 -2.304 3.333 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.316 -2.169 2.056 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.854 -2.720 3.684 1.00 0.63 H new ATOM 1234 N PHE A 79 9.485 -3.733 1.959 1.00 0.36 N ATOM 1235 CA PHE A 79 8.247 -3.238 2.553 1.00 0.38 C ATOM 1236 C PHE A 79 7.044 -4.062 2.098 1.00 0.32 C ATOM 1237 O PHE A 79 5.926 -3.845 2.564 1.00 0.33 O ATOM 1238 CB PHE A 79 8.024 -1.769 2.183 1.00 0.46 C ATOM 1239 CG PHE A 79 9.112 -0.850 2.658 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.431 -0.768 4.003 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.820 -0.072 1.754 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.436 0.073 4.439 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.826 0.770 2.185 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.135 0.843 3.528 1.00 0.70 C ATOM 0 H PHE A 79 9.592 -3.518 0.968 1.00 0.36 H new ATOM 0 HA PHE A 79 8.344 -3.330 3.635 1.00 0.38 H new ATOM 0 HB2 PHE A 79 7.939 -1.686 1.099 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.074 -1.439 2.603 1.00 0.46 H new ATOM 0 HD1 PHE A 79 8.888 -1.368 4.718 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.582 -0.125 0.702 1.00 0.96 H new ATOM 0 HE1 PHE A 79 10.676 0.129 5.491 1.00 1.16 H new ATOM 0 HE2 PHE A 79 11.371 1.371 1.472 1.00 1.01 H new ATOM 0 HZ PHE A 79 11.922 1.501 3.867 1.00 0.70 H new ATOM 1254 N ILE A 80 7.269 -5.000 1.187 1.00 0.38 N ATOM 1255 CA ILE A 80 6.190 -5.841 0.683 1.00 0.36 C ATOM 1256 C ILE A 80 5.799 -6.897 1.718 1.00 0.33 C ATOM 1257 O ILE A 80 6.643 -7.648 2.215 1.00 0.42 O ATOM 1258 CB ILE A 80 6.563 -6.522 -0.661 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.373 -7.300 -1.222 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.767 -7.439 -0.510 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.429 -6.449 -2.035 1.00 0.72 C ATOM 0 H ILE A 80 8.185 -5.197 0.783 1.00 0.38 H new ATOM 0 HA ILE A 80 5.336 -5.190 0.498 1.00 0.36 H new ATOM 0 HB ILE A 80 6.830 -5.732 -1.363 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.742 -8.115 -1.844 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.823 -7.753 -0.397 1.00 0.46 H new ATOM 0 HG21 ILE A 80 7.998 -7.898 -1.471 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.625 -6.860 -0.169 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.542 -8.218 0.219 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.608 -7.065 -2.402 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.031 -5.649 -1.411 1.00 0.72 H new ATOM 0 HD13 ILE A 80 4.965 -6.017 -2.880 1.00 0.72 H new ATOM 1273 N ILE A 81 4.520 -6.918 2.073 1.00 0.28 N ATOM 1274 CA ILE A 81 4.015 -7.883 3.044 1.00 0.32 C ATOM 1275 C ILE A 81 2.884 -8.707 2.442 1.00 0.29 C ATOM 1276 O ILE A 81 2.290 -9.561 3.110 1.00 0.31 O ATOM 1277 CB ILE A 81 3.524 -7.210 4.352 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.261 -6.362 4.118 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.635 -6.371 4.964 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.511 -4.990 3.521 1.00 0.77 C ATOM 0 H ILE A 81 3.815 -6.280 1.705 1.00 0.28 H new ATOM 0 HA ILE A 81 4.852 -8.534 3.299 1.00 0.32 H new ATOM 0 HB ILE A 81 3.256 -8.000 5.053 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.590 -6.912 3.458 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.743 -6.239 5.069 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.276 -5.905 5.881 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.489 -7.009 5.192 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.938 -5.597 4.258 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.562 -4.470 3.394 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.154 -4.415 4.188 1.00 0.77 H new ATOM 0 HD13 ILE A 81 2.998 -5.098 2.552 1.00 0.77 H new ATOM 1292 N GLY A 82 2.585 -8.445 1.176 1.00 0.32 N ATOM 1293 CA GLY A 82 1.531 -9.173 0.504 1.00 0.35 C ATOM 1294 C GLY A 82 1.002 -8.452 -0.713 1.00 0.31 C ATOM 1295 O GLY A 82 1.503 -7.393 -1.089 1.00 0.34 O ATOM 0 H GLY A 82 3.054 -7.742 0.605 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.906 -10.152 0.206 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.712 -9.345 1.203 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.019 -9.026 -1.330 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.617 -8.445 -2.521 1.00 0.31 C ATOM 1301 C GLU A 83 -2.131 -8.392 -2.386 1.00 0.32 C ATOM 1302 O GLU A 83 -2.698 -8.906 -1.418 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.262 -9.261 -3.762 1.00 0.37 C ATOM 1304 CG GLU A 83 1.213 -9.267 -4.107 1.00 0.61 C ATOM 1305 CD GLU A 83 1.477 -9.896 -5.459 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.569 -10.572 -5.995 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.593 -9.714 -5.995 1.00 0.86 O ATOM 0 H GLU A 83 -0.452 -9.897 -1.024 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.222 -7.435 -2.628 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.592 -10.289 -3.612 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -0.820 -8.868 -4.612 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.590 -8.244 -4.103 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.763 -9.813 -3.340 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.777 -7.775 -3.362 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.224 -7.675 -3.373 1.00 0.44 C ATOM 1316 C LEU A 84 -4.815 -8.945 -3.970 1.00 0.40 C ATOM 1317 O LEU A 84 -4.206 -9.554 -4.857 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.668 -6.458 -4.187 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.514 -5.429 -3.433 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.799 -6.058 -2.913 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -4.722 -4.814 -2.288 1.00 0.87 C ATOM 0 H LEU A 84 -2.318 -7.335 -4.159 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.580 -7.555 -2.350 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -3.780 -5.958 -4.573 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.237 -6.808 -5.049 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.780 -4.636 -4.132 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -7.383 -5.307 -2.381 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -7.381 -6.443 -3.751 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -6.555 -6.875 -2.234 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -5.343 -4.086 -1.766 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -4.419 -5.597 -1.593 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.836 -4.318 -2.684 1.00 0.87 H new ATOM 1333 N HIS A 85 -5.988 -9.341 -3.481 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.669 -10.543 -3.964 1.00 0.48 C ATOM 1335 C HIS A 85 -6.857 -10.498 -5.481 1.00 0.42 C ATOM 1336 O HIS A 85 -7.125 -9.438 -6.045 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.040 -10.697 -3.288 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.008 -11.488 -2.013 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -7.051 -11.605 -1.065 1.00 1.22 N flip ATOM 1340 CD2 HIS A 85 -9.054 -12.283 -1.596 1.00 0.80 C flip ATOM 1341 CE1 HIS A 85 -7.529 -12.460 -0.105 1.00 1.48 C flip ATOM 1342 NE2 HIS A 85 -8.740 -12.852 -0.447 1.00 1.10 N flip ATOM 0 H HIS A 85 -6.491 -8.844 -2.746 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.042 -11.398 -3.711 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.443 -9.706 -3.079 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.725 -11.179 -3.985 1.00 0.61 H new ATOM 0 HD2 HIS A 85 -9.985 -12.419 -2.126 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -6.999 -12.763 0.786 1.00 1.48 H new ATOM 0 HE2 HIS A 85 -9.334 -13.487 0.086 1.00 1.10 H new ATOM 1351 N PRO A 86 -6.721 -11.651 -6.161 1.00 0.45 N ATOM 1352 CA PRO A 86 -6.885 -11.738 -7.619 1.00 0.44 C ATOM 1353 C PRO A 86 -8.279 -11.307 -8.065 1.00 0.40 C ATOM 1354 O PRO A 86 -8.447 -10.689 -9.118 1.00 0.42 O ATOM 1355 CB PRO A 86 -6.655 -13.225 -7.926 1.00 0.53 C ATOM 1356 CG PRO A 86 -6.840 -13.926 -6.627 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.391 -12.959 -5.572 1.00 0.53 C ATOM 0 HA PRO A 86 -6.197 -11.077 -8.146 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.362 -13.587 -8.673 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -5.655 -13.394 -8.326 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -7.883 -14.208 -6.480 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.253 -14.844 -6.591 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -6.912 -13.120 -4.628 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.325 -13.052 -5.367 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.274 -11.623 -7.245 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.659 -11.265 -7.537 1.00 0.43 C ATOM 1367 C ASP A 87 -10.822 -9.745 -7.524 1.00 0.41 C ATOM 1368 O ASP A 87 -11.606 -9.180 -8.285 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.606 -11.896 -6.511 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.275 -13.348 -6.211 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.397 -13.593 -5.359 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -11.899 -14.250 -6.816 1.00 1.30 O ATOM 0 H ASP A 87 -9.148 -12.129 -6.368 1.00 0.41 H new ATOM 0 HA ASP A 87 -10.911 -11.645 -8.527 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.565 -11.321 -5.586 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.629 -11.832 -6.881 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.053 -9.092 -6.667 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.091 -7.636 -6.548 1.00 0.50 C ATOM 1379 C ASP A 88 -9.088 -7.003 -7.505 1.00 0.49 C ATOM 1380 O ASP A 88 -8.860 -5.796 -7.481 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.779 -7.200 -5.108 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.968 -7.333 -4.177 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -12.085 -6.936 -4.568 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.791 -7.834 -3.040 1.00 1.20 O ATOM 0 H ASP A 88 -9.390 -9.547 -6.039 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.095 -7.300 -6.806 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.955 -7.800 -4.723 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.443 -6.163 -5.113 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.494 -7.831 -8.355 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.506 -7.359 -9.310 1.00 0.51 C ATOM 1391 C ARG A 89 -8.002 -7.526 -10.746 1.00 0.57 C ATOM 1392 O ARG A 89 -7.858 -6.624 -11.570 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.189 -8.114 -9.121 1.00 0.56 C ATOM 1394 CG ARG A 89 -4.967 -7.288 -9.473 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.700 -8.130 -9.479 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.380 -8.676 -8.155 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.198 -9.209 -7.839 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.222 -9.241 -8.734 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -1.994 -9.708 -6.623 1.00 0.81 N ATOM 0 H ARG A 89 -8.681 -8.833 -8.401 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.342 -6.297 -9.128 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.111 -8.441 -8.084 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.202 -9.012 -9.738 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.106 -6.833 -10.454 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.859 -6.474 -8.756 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -3.816 -8.950 -10.188 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -2.866 -7.522 -9.829 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.102 -8.646 -7.435 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.373 -8.858 -9.667 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.319 -9.649 -8.490 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -2.742 -9.684 -5.930 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.090 -10.115 -6.384 1.00 0.81 H new ATOM 1413 N SER A 90 -8.578 -8.682 -11.045 1.00 0.50 N ATOM 1414 CA SER A 90 -9.083 -8.950 -12.386 1.00 0.59 C ATOM 1415 C SER A 90 -10.453 -9.635 -12.348 1.00 0.57 C ATOM 1416 O SER A 90 -10.644 -10.705 -12.927 1.00 0.88 O ATOM 1417 CB SER A 90 -8.075 -9.806 -13.161 1.00 0.71 C ATOM 1418 OG SER A 90 -6.777 -9.223 -13.127 1.00 1.16 O ATOM 0 H SER A 90 -8.707 -9.446 -10.382 1.00 0.50 H new ATOM 0 HA SER A 90 -9.211 -7.995 -12.896 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.039 -10.808 -12.733 1.00 0.71 H new ATOM 0 HB3 SER A 90 -8.403 -9.913 -14.195 1.00 0.71 H new ATOM 0 HG SER A 90 -6.151 -9.788 -13.627 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.401 -9.012 -11.655 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.761 -9.538 -11.554 1.00 0.49 C ATOM 1426 C LYS A 91 -13.704 -8.429 -11.106 1.00 0.51 C ATOM 1427 O LYS A 91 -14.619 -8.049 -11.837 1.00 0.59 O ATOM 1428 CB LYS A 91 -12.817 -10.721 -10.581 1.00 0.47 C ATOM 1429 CG LYS A 91 -14.094 -11.542 -10.684 1.00 1.02 C ATOM 1430 CD LYS A 91 -14.111 -12.700 -9.692 1.00 1.09 C ATOM 1431 CE LYS A 91 -12.994 -13.703 -9.955 1.00 1.24 C ATOM 1432 NZ LYS A 91 -13.060 -14.280 -11.324 1.00 1.76 N ATOM 0 H LYS A 91 -11.252 -8.137 -11.152 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.074 -9.898 -12.534 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -11.962 -11.372 -10.765 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -12.718 -10.346 -9.562 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -14.955 -10.898 -10.504 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -14.194 -11.931 -11.697 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -14.014 -12.309 -8.679 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -15.073 -13.209 -9.747 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -12.030 -13.214 -9.816 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -13.052 -14.507 -9.222 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -12.404 -15.084 -11.394 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -14.029 -14.606 -11.517 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -12.794 -13.554 -12.020 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.456 -7.911 -9.905 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.240 -6.816 -9.332 1.00 0.55 C ATOM 1448 C LEU A 92 -15.734 -7.137 -9.286 1.00 0.58 C ATOM 1449 O LEU A 92 -16.569 -6.333 -9.702 1.00 0.72 O ATOM 1450 CB LEU A 92 -14.001 -5.516 -10.118 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.736 -4.729 -9.748 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.678 -4.466 -8.251 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.483 -5.460 -10.210 1.00 0.90 C ATOM 0 H LEU A 92 -12.704 -8.239 -9.299 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.903 -6.683 -8.304 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.956 -5.760 -11.179 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.864 -4.865 -9.977 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.779 -3.769 -10.263 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.773 -3.907 -8.015 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.551 -3.887 -7.949 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.669 -5.415 -7.715 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.602 -4.881 -9.935 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.437 -6.439 -9.734 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.513 -5.584 -11.292 1.00 0.90 H new ATOM 1465 N SER A 93 -16.072 -8.306 -8.771 1.00 0.52 N ATOM 1466 CA SER A 93 -17.465 -8.713 -8.667 1.00 0.57 C ATOM 1467 C SER A 93 -17.874 -8.794 -7.197 1.00 0.58 C ATOM 1468 O SER A 93 -18.061 -9.881 -6.645 1.00 0.70 O ATOM 1469 CB SER A 93 -17.666 -10.058 -9.364 1.00 0.62 C ATOM 1470 OG SER A 93 -17.046 -10.065 -10.642 1.00 0.70 O ATOM 0 H SER A 93 -15.403 -8.990 -8.418 1.00 0.52 H new ATOM 0 HA SER A 93 -18.097 -7.973 -9.159 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.250 -10.856 -8.749 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.732 -10.261 -9.471 1.00 0.62 H new ATOM 0 HG SER A 93 -17.186 -10.936 -11.069 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.987 -7.632 -6.566 1.00 0.57 N ATOM 1477 CA LYS A 94 -18.354 -7.545 -5.157 1.00 0.60 C ATOM 1478 C LYS A 94 -19.228 -6.321 -4.906 1.00 0.71 C ATOM 1479 O LYS A 94 -18.982 -5.257 -5.472 1.00 0.82 O ATOM 1480 CB LYS A 94 -17.098 -7.445 -4.280 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.309 -8.740 -4.166 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.852 -8.474 -3.820 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.703 -7.874 -2.431 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.395 -7.186 -2.261 1.00 0.93 N ATOM 0 H LYS A 94 -17.828 -6.729 -7.012 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.909 -8.448 -4.900 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.447 -6.671 -4.686 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.392 -7.123 -3.281 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.756 -9.374 -3.401 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.367 -9.287 -5.107 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.289 -9.406 -3.876 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.421 -7.796 -4.557 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.512 -7.165 -2.253 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -14.799 -8.661 -1.683 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.449 -6.531 -1.455 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.652 -7.892 -2.084 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -13.168 -6.653 -3.125 1.00 0.93 H new ATOM 1498 N PRO A 95 -20.265 -6.458 -4.065 1.00 0.78 N ATOM 1499 CA PRO A 95 -21.151 -5.345 -3.717 1.00 0.92 C ATOM 1500 C PRO A 95 -20.455 -4.357 -2.785 1.00 0.95 C ATOM 1501 O PRO A 95 -19.687 -4.760 -1.909 1.00 1.03 O ATOM 1502 CB PRO A 95 -22.315 -6.031 -2.995 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.726 -7.276 -2.428 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.662 -7.713 -3.396 1.00 0.84 C ATOM 0 HA PRO A 95 -21.462 -4.767 -4.588 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.725 -5.394 -2.211 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -23.130 -6.256 -3.683 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -21.303 -7.092 -1.441 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.486 -8.048 -2.310 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.820 -8.178 -2.883 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -21.044 -8.444 -4.109 1.00 0.84 H new ATOM 1512 N MET A 96 -20.707 -3.069 -2.972 1.00 1.06 N ATOM 1513 CA MET A 96 -20.074 -2.054 -2.139 1.00 1.14 C ATOM 1514 C MET A 96 -20.968 -1.661 -0.967 1.00 1.16 C ATOM 1515 O MET A 96 -20.565 -1.795 0.187 1.00 1.25 O ATOM 1516 CB MET A 96 -19.709 -0.820 -2.967 1.00 1.31 C ATOM 1517 CG MET A 96 -18.932 0.228 -2.184 1.00 1.38 C ATOM 1518 SD MET A 96 -17.655 1.036 -3.168 1.00 1.63 S ATOM 1519 CE MET A 96 -18.646 1.917 -4.371 1.00 1.94 C ATOM 0 H MET A 96 -21.338 -2.704 -3.685 1.00 1.06 H new ATOM 0 HA MET A 96 -19.158 -2.485 -1.735 1.00 1.14 H new ATOM 0 HB2 MET A 96 -19.117 -1.132 -3.828 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.623 -0.369 -3.355 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.625 0.981 -1.808 1.00 1.38 H new ATOM 0 HG3 MET A 96 -18.471 -0.243 -1.316 1.00 1.38 H new ATOM 0 HE1 MET A 96 -17.992 2.465 -5.050 1.00 1.94 H new ATOM 0 HE2 MET A 96 -19.245 1.206 -4.939 1.00 1.94 H new ATOM 0 HE3 MET A 96 -19.304 2.617 -3.857 1.00 1.94 H new ATOM 1529 N GLU A 97 -22.179 -1.187 -1.277 1.00 1.14 N ATOM 1530 CA GLU A 97 -23.144 -0.760 -0.260 1.00 1.22 C ATOM 1531 C GLU A 97 -22.578 0.377 0.593 1.00 1.29 C ATOM 1532 O GLU A 97 -21.875 0.143 1.575 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.555 -1.940 0.625 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.684 -1.614 1.590 1.00 1.50 C ATOM 1535 CD GLU A 97 -24.852 -2.666 2.665 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -24.193 -2.551 3.724 1.00 2.57 O ATOM 1537 OE2 GLU A 97 -25.641 -3.614 2.457 1.00 2.38 O ATOM 0 H GLU A 97 -22.516 -1.089 -2.235 1.00 1.14 H new ATOM 0 HA GLU A 97 -24.030 -0.388 -0.775 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.861 -2.771 -0.011 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.688 -2.276 1.194 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -24.490 -0.649 2.058 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.616 -1.516 1.033 1.00 1.50 H new ATOM 1544 N THR A 98 -22.888 1.607 0.217 1.00 1.31 N ATOM 1545 CA THR A 98 -22.395 2.764 0.950 1.00 1.40 C ATOM 1546 C THR A 98 -23.314 3.968 0.748 1.00 1.39 C ATOM 1547 O THR A 98 -24.227 3.925 -0.079 1.00 1.35 O ATOM 1548 CB THR A 98 -20.951 3.112 0.515 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.388 4.114 1.373 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.908 3.595 -0.928 1.00 1.37 C ATOM 0 H THR A 98 -23.475 1.831 -0.587 1.00 1.31 H new ATOM 0 HA THR A 98 -22.387 2.512 2.010 1.00 1.40 H new ATOM 0 HB THR A 98 -20.360 2.199 0.594 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.475 4.318 1.082 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.880 3.831 -1.202 1.00 1.37 H new ATOM 0 HG22 THR A 98 -21.288 2.813 -1.585 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.525 4.488 -1.031 1.00 1.37 H new ATOM 1558 N LEU A 99 -23.073 5.025 1.527 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.857 6.258 1.453 1.00 1.48 C ATOM 1560 C LEU A 99 -25.338 6.002 1.724 1.00 1.52 C ATOM 1561 O LEU A 99 -26.207 6.561 1.053 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.682 6.920 0.082 1.00 1.43 C ATOM 1563 CG LEU A 99 -22.244 7.310 -0.269 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -22.126 7.612 -1.753 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.805 8.509 0.556 1.00 1.61 C ATOM 0 H LEU A 99 -22.330 5.049 2.225 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.486 6.930 2.227 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -24.055 6.240 -0.684 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -24.304 7.814 0.045 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.588 6.471 -0.034 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -21.098 7.888 -1.988 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -22.405 6.729 -2.327 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -22.791 8.437 -2.010 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -20.780 8.775 0.295 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -22.463 9.353 0.349 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -21.857 8.260 1.616 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.621 5.171 2.721 1.00 1.60 N ATOM 1578 CA ILE A 100 -27.001 4.842 3.070 1.00 1.68 C ATOM 1579 C ILE A 100 -27.396 5.453 4.413 1.00 1.72 C ATOM 1580 O ILE A 100 -28.347 5.007 5.060 1.00 1.83 O ATOM 1581 CB ILE A 100 -27.220 3.312 3.117 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -26.317 2.667 4.173 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -26.961 2.699 1.747 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -26.647 1.217 4.444 1.00 1.79 C ATOM 0 H ILE A 100 -24.917 4.714 3.301 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.634 5.265 2.290 1.00 1.68 H new ATOM 0 HB ILE A 100 -28.257 3.121 3.394 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -25.280 2.740 3.846 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -26.399 3.230 5.103 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.119 1.622 1.795 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.645 3.134 1.018 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -25.933 2.902 1.446 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -25.968 0.825 5.201 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -27.674 1.138 4.801 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -26.537 0.641 3.525 1.00 1.79 H new ATOM 1596 N THR A 101 -26.668 6.476 4.826 1.00 1.73 N ATOM 1597 CA THR A 101 -26.933 7.146 6.091 1.00 1.77 C ATOM 1598 C THR A 101 -26.493 8.604 6.026 1.00 1.85 C ATOM 1599 O THR A 101 -25.389 8.906 5.573 1.00 1.80 O ATOM 1600 CB THR A 101 -26.200 6.446 7.258 1.00 1.70 C ATOM 1601 OG1 THR A 101 -26.573 5.062 7.309 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.523 7.110 8.592 1.00 1.98 C ATOM 0 H THR A 101 -25.884 6.864 4.301 1.00 1.73 H new ATOM 0 HA THR A 101 -28.007 7.097 6.269 1.00 1.77 H new ATOM 0 HB THR A 101 -25.128 6.533 7.082 1.00 1.70 H new ATOM 0 HG1 THR A 101 -26.104 4.624 8.050 1.00 1.85 H new ATOM 0 HG21 THR A 101 -25.992 6.595 9.393 1.00 1.98 H new ATOM 0 HG22 THR A 101 -26.212 8.154 8.564 1.00 1.98 H new ATOM 0 HG23 THR A 101 -27.596 7.056 8.775 1.00 1.98 H new ATOM 1610 N THR A 102 -27.367 9.503 6.469 1.00 2.05 N ATOM 1611 CA THR A 102 -27.066 10.924 6.470 1.00 2.18 C ATOM 1612 C THR A 102 -26.173 11.281 7.657 1.00 2.11 C ATOM 1613 O THR A 102 -26.639 11.400 8.791 1.00 2.23 O ATOM 1614 CB THR A 102 -28.357 11.761 6.521 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.498 10.893 6.489 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.423 12.728 5.345 1.00 2.72 C ATOM 0 H THR A 102 -28.291 9.268 6.832 1.00 2.05 H new ATOM 0 HA THR A 102 -26.538 11.154 5.544 1.00 2.18 H new ATOM 0 HB THR A 102 -28.357 12.337 7.447 1.00 2.58 H new ATOM 0 HG1 THR A 102 -30.318 11.429 6.523 1.00 2.89 H new ATOM 0 HG21 THR A 102 -29.344 13.308 5.402 1.00 2.72 H new ATOM 0 HG22 THR A 102 -27.567 13.402 5.379 1.00 2.72 H new ATOM 0 HG23 THR A 102 -28.406 12.167 4.411 1.00 2.72 H new ATOM 1624 N VAL A 103 -24.885 11.433 7.391 1.00 2.05 N ATOM 1625 CA VAL A 103 -23.927 11.763 8.437 1.00 2.08 C ATOM 1626 C VAL A 103 -23.496 13.221 8.344 1.00 2.14 C ATOM 1627 O VAL A 103 -22.701 13.699 9.157 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.677 10.861 8.358 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -23.047 9.404 8.567 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -21.970 11.043 7.024 1.00 1.94 C ATOM 0 H VAL A 103 -24.478 11.333 6.461 1.00 2.05 H new ATOM 0 HA VAL A 103 -24.427 11.595 9.391 1.00 2.08 H new ATOM 0 HB VAL A 103 -21.995 11.157 9.155 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -22.149 8.788 8.507 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -23.505 9.282 9.548 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -23.752 9.094 7.796 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -21.091 10.399 6.987 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.649 10.778 6.213 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -21.663 12.083 6.914 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.022 13.922 7.351 1.00 2.18 N ATOM 1641 CA ASP A 104 -23.690 15.320 7.139 1.00 2.30 C ATOM 1642 C ASP A 104 -24.798 15.996 6.346 1.00 2.65 C ATOM 1643 O ASP A 104 -24.695 17.213 6.090 1.00 2.86 O ATOM 1644 CB ASP A 104 -22.347 15.452 6.408 1.00 2.32 C ATOM 1645 CG ASP A 104 -22.464 15.259 4.907 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -22.506 14.096 4.453 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -22.499 16.271 4.175 1.00 2.82 O ATOM 0 H ASP A 104 -24.685 13.541 6.676 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.597 15.811 8.108 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -21.926 16.437 6.610 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -21.648 14.718 6.809 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 11.226 9.857 -4.227 1.00 0.46 C HETATM 1654 CHB HEM A 400 11.075 5.420 -2.438 1.00 0.49 C HETATM 1655 CHC HEM A 400 6.298 5.446 -2.723 1.00 0.41 C HETATM 1656 CHD HEM A 400 6.434 9.918 -4.436 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.602 8.628 -3.743 1.00 0.46 C HETATM 1658 C2A HEM A 400 12.969 8.231 -3.501 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.920 6.989 -2.968 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.529 6.623 -2.911 1.00 0.47 C HETATM 1661 CMA HEM A 400 14.073 6.178 -2.477 1.00 0.63 C HETATM 1662 CAA HEM A 400 14.202 9.004 -3.838 1.00 0.61 C HETATM 1663 CBA HEM A 400 15.135 8.228 -4.778 1.00 0.95 C HETATM 1664 CGA HEM A 400 15.107 8.853 -6.171 1.00 0.91 C HETATM 1665 O1A HEM A 400 15.620 9.983 -6.323 1.00 1.48 O HETATM 1666 O2A HEM A 400 14.581 8.205 -7.101 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.760 5.043 -2.362 1.00 0.46 C HETATM 1668 C2B HEM A 400 9.317 3.770 -1.856 1.00 0.51 C HETATM 1669 C3B HEM A 400 7.966 3.771 -1.943 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.593 5.050 -2.499 1.00 0.42 C HETATM 1671 CMB HEM A 400 10.177 2.674 -1.324 1.00 0.60 C HETATM 1672 CAB HEM A 400 7.114 2.747 -1.579 1.00 0.55 C HETATM 1673 CBB HEM A 400 6.807 2.337 -0.138 1.00 1.07 C HETATM 1674 C1C HEM A 400 5.920 6.667 -3.227 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.552 7.071 -3.421 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.588 8.338 -3.891 1.00 0.40 C HETATM 1677 C4C HEM A 400 5.982 8.701 -3.991 1.00 0.36 C HETATM 1678 CMC HEM A 400 3.333 6.242 -3.175 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.507 9.138 -4.198 1.00 0.45 C HETATM 1680 CBC HEM A 400 2.255 9.282 -3.327 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.755 10.290 -4.537 1.00 0.39 C HETATM 1682 C2D HEM A 400 8.201 11.592 -4.973 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.555 11.579 -4.905 1.00 0.47 C HETATM 1684 C4D HEM A 400 9.929 10.263 -4.440 1.00 0.42 C HETATM 1685 CMD HEM A 400 7.338 12.740 -5.394 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.475 12.728 -5.174 1.00 0.55 C HETATM 1687 CBD HEM A 400 10.639 13.025 -6.665 1.00 0.70 C HETATM 1688 CGD HEM A 400 10.999 14.497 -6.854 1.00 1.09 C HETATM 1689 O1D HEM A 400 11.184 15.201 -5.839 1.00 1.52 O HETATM 1690 O2D HEM A 400 11.095 14.940 -8.017 1.00 1.79 O HETATM 1691 NA HEM A 400 10.719 7.631 -3.384 1.00 0.42 N HETATM 1692 NB HEM A 400 8.701 5.828 -2.760 1.00 0.40 N HETATM 1693 NC HEM A 400 6.800 7.671 -3.578 1.00 0.35 N HETATM 1694 ND HEM A 400 8.819 9.474 -4.212 1.00 0.37 N HETATM 1695 FE HEM A 400 8.761 7.636 -3.525 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 13.753 5.563 -1.635 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 14.875 6.843 -2.157 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 14.434 5.535 -3.280 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 11.148 2.700 -1.819 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 9.699 1.713 -1.513 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 10.313 2.807 -0.251 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.568 5.191 -3.341 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.541 6.548 -3.858 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 3.000 6.381 -2.147 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 7.841 13.678 -5.159 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 6.388 12.695 -4.862 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 7.156 12.684 -6.467 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 6.120 1.514 0.060 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 7.275 2.868 0.691 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.443 9.937 -3.643 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 2.176 8.729 -2.391 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 14.825 7.184 -4.832 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 16.152 8.239 -4.386 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.736 9.250 -2.920 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 13.921 9.947 -4.306 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 9.716 12.794 -7.196 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 11.418 12.392 -7.089 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 11.452 12.513 -4.742 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 10.094 13.617 -4.672 1.00 0.55 H new HETATM 0 HHA HEM A 400 12.011 10.561 -4.459 1.00 0.46 H new HETATM 0 HHB HEM A 400 11.814 4.711 -2.097 1.00 0.49 H new HETATM 0 HHC HEM A 400 5.514 4.742 -2.484 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.691 10.644 -4.731 1.00 0.38 H new HETATM 0 HAB HEM A 400 6.624 2.190 -2.378 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.546 9.708 -5.126 1.00 0.45 H new