USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 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 Set 1.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0704 (180deg=-0.446) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0715) USER MOD Single : A 3 GLN : amide:sc= -4.31! C(o=-4.3!,f=-9.7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc=-0.00653 X(o=-0.0065,f=-0.34) USER MOD Single : A 17 THR OG1 : rot 51:sc= 0.0384 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc=-0.00162 (180deg=-0.0842) USER MOD Single : A 19 GLN : amide:sc= -0.0642 X(o=-0.064,f=-0.45) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.995 K(o=0.99,f=0) USER MOD Single : A 33 SER OG : rot -33:sc= 0.443 USER MOD Single : A 34 SER OG : rot 67:sc= -0.0798 USER MOD Single : A 41 ASN : amide:sc= -0.248 K(o=-0.25,f=-8.9!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 47 ASN : amide:sc= -0.447 K(o=-0.45,f=-3.2!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= -0.0321 (180deg=-0.178) USER MOD Single : A 53 GLN : amide:sc= 0.832 K(o=0.83,f=-0.02) USER MOD Single : A 58 SER OG : rot 86:sc= 0.557 USER MOD Single : A 61 TYR OH : rot -122:sc= 0.126 USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0924) USER MOD Single : A 67 SER OG : rot 180:sc= -1.83! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 14:sc= 0.0961! USER MOD Single : A 83 GLN : amide:sc= 0.251 K(o=0.25,f=-0.4) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= 0.209 K(o=0.21,f=-3.3!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 102 HIS : no HE2:sc= -0.401 K(o=-0.4,f=-1.3) USER MOD Single : A 103 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.011) USER MOD Single : A 104 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.025) USER MOD Single : A 105 HIS : no HD1:sc= -0.0718 X(o=-0.072,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.769 -15.353 -2.098 1.00 45.22 N ATOM 2 CA MET A 1 32.476 -16.084 -1.976 1.00 34.43 C ATOM 3 C MET A 1 31.603 -15.477 -0.864 1.00 63.13 C ATOM 4 O MET A 1 32.080 -15.218 0.242 1.00 73.42 O ATOM 5 CB MET A 1 32.726 -17.574 -1.700 1.00 1.11 C ATOM 6 CG MET A 1 33.409 -18.313 -2.844 1.00 41.41 C ATOM 7 SD MET A 1 32.421 -18.332 -4.352 1.00 61.31 S ATOM 8 CE MET A 1 31.000 -19.295 -3.828 1.00 71.43 C ATOM 0 H1 MET A 1 34.273 -15.678 -2.948 1.00 45.22 H new ATOM 0 H2 MET A 1 33.585 -14.332 -2.174 1.00 45.22 H new ATOM 0 H3 MET A 1 34.353 -15.537 -1.257 1.00 45.22 H new ATOM 0 HA MET A 1 31.943 -15.986 -2.921 1.00 34.43 H new ATOM 0 HB2 MET A 1 33.339 -17.669 -0.804 1.00 1.11 H new ATOM 0 HB3 MET A 1 31.773 -18.058 -1.487 1.00 1.11 H new ATOM 0 HG2 MET A 1 34.371 -17.843 -3.051 1.00 41.41 H new ATOM 0 HG3 MET A 1 33.615 -19.338 -2.537 1.00 41.41 H new ATOM 0 HE1 MET A 1 30.456 -19.648 -4.704 1.00 71.43 H new ATOM 0 HE2 MET A 1 31.336 -20.150 -3.241 1.00 71.43 H new ATOM 0 HE3 MET A 1 30.343 -18.673 -3.220 1.00 71.43 H new ATOM 20 N ASP A 2 30.322 -15.264 -1.159 1.00 62.31 N ATOM 21 CA ASP A 2 29.405 -14.582 -0.232 1.00 63.52 C ATOM 22 C ASP A 2 29.128 -15.393 1.050 1.00 10.32 C ATOM 23 O ASP A 2 28.854 -14.816 2.103 1.00 71.43 O ATOM 24 CB ASP A 2 28.088 -14.256 -0.944 1.00 51.44 C ATOM 25 CG ASP A 2 28.276 -13.255 -2.072 1.00 5.44 C ATOM 26 OD1 ASP A 2 28.648 -13.670 -3.189 1.00 14.44 O ATOM 27 OD2 ASP A 2 28.059 -12.046 -1.847 1.00 1.13 O ATOM 0 H ASP A 2 29.889 -15.553 -2.036 1.00 62.31 H new ATOM 0 HA ASP A 2 29.898 -13.661 0.080 1.00 63.52 H new ATOM 0 HB2 ASP A 2 27.656 -15.174 -1.344 1.00 51.44 H new ATOM 0 HB3 ASP A 2 27.376 -13.857 -0.222 1.00 51.44 H new ATOM 32 N GLN A 3 29.187 -16.724 0.967 1.00 61.42 N ATOM 33 CA GLN A 3 29.000 -17.574 2.159 1.00 11.31 C ATOM 34 C GLN A 3 30.171 -17.428 3.158 1.00 25.21 C ATOM 35 O GLN A 3 30.110 -17.923 4.286 1.00 21.41 O ATOM 36 CB GLN A 3 28.772 -19.051 1.763 1.00 12.25 C ATOM 37 CG GLN A 3 29.703 -19.593 0.678 1.00 10.32 C ATOM 38 CD GLN A 3 31.163 -19.599 1.083 1.00 71.12 C ATOM 39 OE1 GLN A 3 31.883 -18.645 0.843 1.00 32.35 O ATOM 40 NE2 GLN A 3 31.610 -20.665 1.710 1.00 2.10 N ATOM 0 H GLN A 3 29.360 -17.237 0.102 1.00 61.42 H new ATOM 0 HA GLN A 3 28.101 -17.226 2.669 1.00 11.31 H new ATOM 0 HB2 GLN A 3 28.883 -19.669 2.654 1.00 12.25 H new ATOM 0 HB3 GLN A 3 27.742 -19.163 1.423 1.00 12.25 H new ATOM 0 HG2 GLN A 3 29.400 -20.609 0.425 1.00 10.32 H new ATOM 0 HG3 GLN A 3 29.587 -18.991 -0.223 1.00 10.32 H new ATOM 0 HE21 GLN A 3 30.983 -21.447 1.896 1.00 2.10 H new ATOM 0 HE22 GLN A 3 32.584 -20.709 2.010 1.00 2.10 H new ATOM 49 N LYS A 4 31.240 -16.759 2.728 1.00 42.41 N ATOM 50 CA LYS A 4 32.355 -16.390 3.612 1.00 41.04 C ATOM 51 C LYS A 4 32.385 -14.872 3.848 1.00 51.11 C ATOM 52 O LYS A 4 33.451 -14.286 4.049 1.00 2.23 O ATOM 53 CB LYS A 4 33.692 -16.851 3.007 1.00 62.13 C ATOM 54 CG LYS A 4 33.918 -18.359 3.068 1.00 4.35 C ATOM 55 CD LYS A 4 35.231 -18.765 2.402 1.00 21.33 C ATOM 56 CE LYS A 4 36.427 -18.071 3.039 1.00 60.12 C ATOM 57 NZ LYS A 4 37.713 -18.500 2.432 1.00 15.21 N ATOM 0 H LYS A 4 31.362 -16.457 1.761 1.00 42.41 H new ATOM 0 HA LYS A 4 32.207 -16.888 4.570 1.00 41.04 H new ATOM 0 HB2 LYS A 4 33.737 -16.530 1.966 1.00 62.13 H new ATOM 0 HB3 LYS A 4 34.507 -16.351 3.531 1.00 62.13 H new ATOM 0 HG2 LYS A 4 33.923 -18.684 4.109 1.00 4.35 H new ATOM 0 HG3 LYS A 4 33.089 -18.870 2.579 1.00 4.35 H new ATOM 0 HD2 LYS A 4 35.357 -19.845 2.475 1.00 21.33 H new ATOM 0 HD3 LYS A 4 35.191 -18.520 1.341 1.00 21.33 H new ATOM 0 HE2 LYS A 4 36.318 -16.992 2.931 1.00 60.12 H new ATOM 0 HE3 LYS A 4 36.442 -18.285 4.108 1.00 60.12 H new ATOM 0 HZ1 LYS A 4 38.499 -18.002 2.896 1.00 15.21 H new ATOM 0 HZ2 LYS A 4 37.831 -19.526 2.557 1.00 15.21 H new ATOM 0 HZ3 LYS A 4 37.711 -18.273 1.417 1.00 15.21 H new ATOM 71 N SER A 5 31.204 -14.246 3.835 1.00 51.43 N ATOM 72 CA SER A 5 31.083 -12.790 4.027 1.00 44.44 C ATOM 73 C SER A 5 31.795 -12.315 5.305 1.00 52.12 C ATOM 74 O SER A 5 31.237 -12.370 6.405 1.00 24.32 O ATOM 75 CB SER A 5 29.605 -12.373 4.070 1.00 33.44 C ATOM 76 OG SER A 5 29.464 -10.973 4.278 1.00 43.13 O ATOM 0 H SER A 5 30.314 -14.723 3.693 1.00 51.43 H new ATOM 0 HA SER A 5 31.570 -12.314 3.176 1.00 44.44 H new ATOM 0 HB2 SER A 5 29.119 -12.654 3.135 1.00 33.44 H new ATOM 0 HB3 SER A 5 29.096 -12.914 4.868 1.00 33.44 H new ATOM 0 HG SER A 5 28.512 -10.740 4.299 1.00 43.13 H new ATOM 82 N SER A 6 33.040 -11.871 5.148 1.00 31.04 N ATOM 83 CA SER A 6 33.828 -11.337 6.268 1.00 33.33 C ATOM 84 C SER A 6 33.283 -9.977 6.730 1.00 11.13 C ATOM 85 O SER A 6 32.782 -9.843 7.848 1.00 23.40 O ATOM 86 CB SER A 6 35.307 -11.205 5.867 1.00 63.03 C ATOM 87 OG SER A 6 36.079 -10.595 6.892 1.00 41.20 O ATOM 0 H SER A 6 33.531 -11.869 4.254 1.00 31.04 H new ATOM 0 HA SER A 6 33.747 -12.037 7.100 1.00 33.33 H new ATOM 0 HB2 SER A 6 35.713 -12.192 5.645 1.00 63.03 H new ATOM 0 HB3 SER A 6 35.385 -10.615 4.954 1.00 63.03 H new ATOM 0 HG SER A 6 37.013 -10.529 6.603 1.00 41.20 H new ATOM 93 N SER A 7 33.380 -8.973 5.859 1.00 32.22 N ATOM 94 CA SER A 7 32.834 -7.636 6.140 1.00 3.52 C ATOM 95 C SER A 7 31.929 -7.164 4.990 1.00 43.12 C ATOM 96 O SER A 7 32.417 -6.677 3.968 1.00 75.22 O ATOM 97 CB SER A 7 33.968 -6.621 6.361 1.00 70.55 C ATOM 98 OG SER A 7 34.796 -7.002 7.451 1.00 11.44 O ATOM 0 H SER A 7 33.832 -9.056 4.949 1.00 32.22 H new ATOM 0 HA SER A 7 32.239 -7.703 7.051 1.00 3.52 H new ATOM 0 HB2 SER A 7 34.569 -6.541 5.455 1.00 70.55 H new ATOM 0 HB3 SER A 7 33.544 -5.635 6.551 1.00 70.55 H new ATOM 0 HG SER A 7 35.509 -6.340 7.567 1.00 11.44 H new ATOM 104 N PRO A 8 30.596 -7.319 5.126 1.00 54.03 N ATOM 105 CA PRO A 8 29.644 -6.935 4.070 1.00 0.52 C ATOM 106 C PRO A 8 29.528 -5.410 3.897 1.00 23.33 C ATOM 107 O PRO A 8 28.916 -4.718 4.717 1.00 5.22 O ATOM 108 CB PRO A 8 28.318 -7.540 4.555 1.00 14.24 C ATOM 109 CG PRO A 8 28.456 -7.601 6.038 1.00 45.50 C ATOM 110 CD PRO A 8 29.914 -7.882 6.309 1.00 40.54 C ATOM 0 HA PRO A 8 29.955 -7.293 3.089 1.00 0.52 H new ATOM 0 HB2 PRO A 8 27.469 -6.923 4.260 1.00 14.24 H new ATOM 0 HB3 PRO A 8 28.155 -8.531 4.130 1.00 14.24 H new ATOM 0 HG2 PRO A 8 28.148 -6.662 6.497 1.00 45.50 H new ATOM 0 HG3 PRO A 8 27.823 -8.384 6.457 1.00 45.50 H new ATOM 0 HD2 PRO A 8 30.250 -7.407 7.231 1.00 40.54 H new ATOM 0 HD3 PRO A 8 30.105 -8.950 6.413 1.00 40.54 H new ATOM 118 N GLN A 9 30.138 -4.888 2.837 1.00 2.43 N ATOM 119 CA GLN A 9 30.106 -3.450 2.552 1.00 3.00 C ATOM 120 C GLN A 9 30.270 -3.179 1.046 1.00 42.21 C ATOM 121 O GLN A 9 31.375 -3.270 0.508 1.00 54.34 O ATOM 122 CB GLN A 9 31.214 -2.730 3.334 1.00 32.21 C ATOM 123 CG GLN A 9 31.235 -1.220 3.124 1.00 53.24 C ATOM 124 CD GLN A 9 32.415 -0.551 3.802 1.00 44.35 C ATOM 125 OE1 GLN A 9 33.483 -0.400 3.214 1.00 63.53 O ATOM 126 NE2 GLN A 9 32.237 -0.146 5.043 1.00 4.51 N ATOM 0 H GLN A 9 30.663 -5.438 2.157 1.00 2.43 H new ATOM 0 HA GLN A 9 29.135 -3.067 2.866 1.00 3.00 H new ATOM 0 HB2 GLN A 9 31.089 -2.938 4.397 1.00 32.21 H new ATOM 0 HB3 GLN A 9 32.179 -3.142 3.040 1.00 32.21 H new ATOM 0 HG2 GLN A 9 31.266 -1.006 2.056 1.00 53.24 H new ATOM 0 HG3 GLN A 9 30.309 -0.791 3.508 1.00 53.24 H new ATOM 0 HE21 GLN A 9 31.337 -0.287 5.501 1.00 4.51 H new ATOM 0 HE22 GLN A 9 32.999 0.309 5.545 1.00 4.51 H new ATOM 135 N PRO A 10 29.171 -2.855 0.342 1.00 0.40 N ATOM 136 CA PRO A 10 29.221 -2.550 -1.095 1.00 15.21 C ATOM 137 C PRO A 10 29.695 -1.114 -1.388 1.00 52.04 C ATOM 138 O PRO A 10 29.228 -0.153 -0.769 1.00 45.12 O ATOM 139 CB PRO A 10 27.763 -2.739 -1.527 1.00 72.42 C ATOM 140 CG PRO A 10 26.965 -2.371 -0.318 1.00 52.32 C ATOM 141 CD PRO A 10 27.795 -2.779 0.877 1.00 23.43 C ATOM 0 HA PRO A 10 29.933 -3.182 -1.626 1.00 15.21 H new ATOM 0 HB2 PRO A 10 27.515 -2.102 -2.376 1.00 72.42 H new ATOM 0 HB3 PRO A 10 27.569 -3.767 -1.833 1.00 72.42 H new ATOM 0 HG2 PRO A 10 26.757 -1.301 -0.300 1.00 52.32 H new ATOM 0 HG3 PRO A 10 26.003 -2.883 -0.316 1.00 52.32 H new ATOM 0 HD2 PRO A 10 27.719 -2.050 1.684 1.00 23.43 H new ATOM 0 HD3 PRO A 10 27.470 -3.737 1.281 1.00 23.43 H new ATOM 149 N ALA A 11 30.623 -0.972 -2.330 1.00 74.41 N ATOM 150 CA ALA A 11 31.097 0.352 -2.749 1.00 21.23 C ATOM 151 C ALA A 11 30.049 1.051 -3.629 1.00 71.05 C ATOM 152 O ALA A 11 29.990 0.825 -4.839 1.00 43.43 O ATOM 153 CB ALA A 11 32.428 0.232 -3.486 1.00 65.25 C ATOM 0 H ALA A 11 31.063 -1.752 -2.819 1.00 74.41 H new ATOM 0 HA ALA A 11 31.251 0.961 -1.858 1.00 21.23 H new ATOM 0 HB1 ALA A 11 32.766 1.223 -3.790 1.00 65.25 H new ATOM 0 HB2 ALA A 11 33.170 -0.218 -2.826 1.00 65.25 H new ATOM 0 HB3 ALA A 11 32.300 -0.395 -4.369 1.00 65.25 H new ATOM 159 N ALA A 12 29.209 1.878 -3.010 1.00 4.15 N ATOM 160 CA ALA A 12 28.108 2.546 -3.718 1.00 13.40 C ATOM 161 C ALA A 12 28.080 4.060 -3.451 1.00 41.13 C ATOM 162 O ALA A 12 28.926 4.591 -2.728 1.00 75.04 O ATOM 163 CB ALA A 12 26.780 1.913 -3.317 1.00 52.13 C ATOM 0 H ALA A 12 29.266 2.105 -2.017 1.00 4.15 H new ATOM 0 HA ALA A 12 28.271 2.412 -4.787 1.00 13.40 H new ATOM 0 HB1 ALA A 12 25.966 2.411 -3.844 1.00 52.13 H new ATOM 0 HB2 ALA A 12 26.788 0.855 -3.578 1.00 52.13 H new ATOM 0 HB3 ALA A 12 26.636 2.020 -2.242 1.00 52.13 H new ATOM 169 N GLN A 13 27.102 4.749 -4.036 1.00 62.33 N ATOM 170 CA GLN A 13 26.981 6.203 -3.882 1.00 62.10 C ATOM 171 C GLN A 13 25.922 6.571 -2.826 1.00 30.25 C ATOM 172 O GLN A 13 24.732 6.302 -3.009 1.00 4.21 O ATOM 173 CB GLN A 13 26.612 6.840 -5.231 1.00 71.31 C ATOM 174 CG GLN A 13 27.514 6.415 -6.389 1.00 74.53 C ATOM 175 CD GLN A 13 28.986 6.753 -6.176 1.00 14.44 C ATOM 176 OE1 GLN A 13 29.329 7.739 -5.525 1.00 51.11 O ATOM 177 NE2 GLN A 13 29.869 5.937 -6.720 1.00 53.32 N ATOM 0 H GLN A 13 26.381 4.327 -4.621 1.00 62.33 H new ATOM 0 HA GLN A 13 27.943 6.587 -3.544 1.00 62.10 H new ATOM 0 HB2 GLN A 13 25.581 6.581 -5.473 1.00 71.31 H new ATOM 0 HB3 GLN A 13 26.653 7.925 -5.132 1.00 71.31 H new ATOM 0 HG2 GLN A 13 27.415 5.340 -6.539 1.00 74.53 H new ATOM 0 HG3 GLN A 13 27.168 6.897 -7.303 1.00 74.53 H new ATOM 0 HE21 GLN A 13 29.554 5.127 -7.254 1.00 53.32 H new ATOM 0 HE22 GLN A 13 30.867 6.116 -6.606 1.00 53.32 H new ATOM 186 N ALA A 14 26.362 7.169 -1.715 1.00 34.50 N ATOM 187 CA ALA A 14 25.446 7.640 -0.663 1.00 53.11 C ATOM 188 C ALA A 14 24.938 9.063 -0.972 1.00 71.33 C ATOM 189 O ALA A 14 25.711 10.026 -0.947 1.00 50.45 O ATOM 190 CB ALA A 14 26.142 7.607 0.695 1.00 23.13 C ATOM 0 H ALA A 14 27.348 7.340 -1.517 1.00 34.50 H new ATOM 0 HA ALA A 14 24.585 6.972 -0.634 1.00 53.11 H new ATOM 0 HB1 ALA A 14 25.455 7.958 1.465 1.00 23.13 H new ATOM 0 HB2 ALA A 14 26.450 6.586 0.921 1.00 23.13 H new ATOM 0 HB3 ALA A 14 27.019 8.254 0.670 1.00 23.13 H new ATOM 196 N PRO A 15 23.633 9.220 -1.270 1.00 72.02 N ATOM 197 CA PRO A 15 23.067 10.506 -1.685 1.00 4.31 C ATOM 198 C PRO A 15 22.538 11.391 -0.538 1.00 73.51 C ATOM 199 O PRO A 15 21.547 11.067 0.117 1.00 23.14 O ATOM 200 CB PRO A 15 21.917 10.078 -2.591 1.00 11.31 C ATOM 201 CG PRO A 15 21.451 8.760 -2.041 1.00 22.11 C ATOM 202 CD PRO A 15 22.607 8.161 -1.259 1.00 43.24 C ATOM 0 HA PRO A 15 23.829 11.133 -2.149 1.00 4.31 H new ATOM 0 HB2 PRO A 15 21.114 10.815 -2.582 1.00 11.31 H new ATOM 0 HB3 PRO A 15 22.247 9.979 -3.625 1.00 11.31 H new ATOM 0 HG2 PRO A 15 20.582 8.898 -1.397 1.00 22.11 H new ATOM 0 HG3 PRO A 15 21.147 8.093 -2.848 1.00 22.11 H new ATOM 0 HD2 PRO A 15 22.310 7.904 -0.242 1.00 43.24 H new ATOM 0 HD3 PRO A 15 22.973 7.246 -1.725 1.00 43.24 H new ATOM 210 N GLU A 16 23.218 12.512 -0.325 1.00 63.23 N ATOM 211 CA GLU A 16 22.738 13.606 0.537 1.00 42.54 C ATOM 212 C GLU A 16 22.427 13.189 1.990 1.00 55.32 C ATOM 213 O GLU A 16 23.264 13.353 2.882 1.00 12.21 O ATOM 214 CB GLU A 16 21.504 14.287 -0.090 1.00 3.21 C ATOM 215 CG GLU A 16 21.798 15.093 -1.358 1.00 72.24 C ATOM 216 CD GLU A 16 22.341 14.248 -2.502 1.00 20.15 C ATOM 217 OE1 GLU A 16 21.535 13.591 -3.196 1.00 10.11 O ATOM 218 OE2 GLU A 16 23.572 14.236 -2.712 1.00 1.43 O ATOM 0 H GLU A 16 24.128 12.697 -0.746 1.00 63.23 H new ATOM 0 HA GLU A 16 23.569 14.309 0.599 1.00 42.54 H new ATOM 0 HB2 GLU A 16 20.763 13.523 -0.324 1.00 3.21 H new ATOM 0 HB3 GLU A 16 21.055 14.949 0.650 1.00 3.21 H new ATOM 0 HG2 GLU A 16 20.883 15.588 -1.685 1.00 72.24 H new ATOM 0 HG3 GLU A 16 22.518 15.877 -1.122 1.00 72.24 H new ATOM 225 N THR A 17 21.234 12.638 2.223 1.00 20.33 N ATOM 226 CA THR A 17 20.716 12.453 3.591 1.00 63.55 C ATOM 227 C THR A 17 20.010 11.098 3.774 1.00 42.23 C ATOM 228 O THR A 17 19.983 10.269 2.866 1.00 43.40 O ATOM 229 CB THR A 17 19.729 13.595 3.955 1.00 74.12 C ATOM 230 OG1 THR A 17 19.302 13.482 5.322 1.00 31.35 O ATOM 231 CG2 THR A 17 18.508 13.588 3.037 1.00 53.13 C ATOM 0 H THR A 17 20.606 12.311 1.489 1.00 20.33 H new ATOM 0 HA THR A 17 21.578 12.476 4.257 1.00 63.55 H new ATOM 0 HB THR A 17 20.260 14.538 3.821 1.00 74.12 H new ATOM 0 HG1 THR A 17 20.086 13.391 5.903 1.00 31.35 H new ATOM 0 HG21 THR A 17 17.837 14.399 3.318 1.00 53.13 H new ATOM 0 HG22 THR A 17 18.829 13.724 2.004 1.00 53.13 H new ATOM 0 HG23 THR A 17 17.986 12.636 3.133 1.00 53.13 H new ATOM 239 N LYS A 18 19.453 10.883 4.965 1.00 11.23 N ATOM 240 CA LYS A 18 18.742 9.638 5.294 1.00 20.05 C ATOM 241 C LYS A 18 17.262 9.903 5.635 1.00 12.42 C ATOM 242 O LYS A 18 16.925 10.919 6.247 1.00 42.41 O ATOM 243 CB LYS A 18 19.438 8.948 6.476 1.00 62.00 C ATOM 244 CG LYS A 18 18.762 7.661 6.940 1.00 2.22 C ATOM 245 CD LYS A 18 19.500 7.020 8.114 1.00 1.20 C ATOM 246 CE LYS A 18 19.535 7.932 9.338 1.00 45.15 C ATOM 247 NZ LYS A 18 18.175 8.222 9.861 1.00 11.31 N ATOM 0 H LYS A 18 19.479 11.559 5.728 1.00 11.23 H new ATOM 0 HA LYS A 18 18.769 8.989 4.419 1.00 20.05 H new ATOM 0 HB2 LYS A 18 20.467 8.723 6.195 1.00 62.00 H new ATOM 0 HB3 LYS A 18 19.481 9.644 7.314 1.00 62.00 H new ATOM 0 HG2 LYS A 18 17.734 7.876 7.231 1.00 2.22 H new ATOM 0 HG3 LYS A 18 18.717 6.955 6.111 1.00 2.22 H new ATOM 0 HD2 LYS A 18 19.015 6.080 8.377 1.00 1.20 H new ATOM 0 HD3 LYS A 18 20.519 6.779 7.813 1.00 1.20 H new ATOM 0 HE2 LYS A 18 20.131 7.464 10.121 1.00 45.15 H new ATOM 0 HE3 LYS A 18 20.029 8.868 9.078 1.00 45.15 H new ATOM 0 HZ1 LYS A 18 18.252 8.714 10.774 1.00 11.31 H new ATOM 0 HZ2 LYS A 18 17.664 8.824 9.185 1.00 11.31 H new ATOM 0 HZ3 LYS A 18 17.656 7.330 9.991 1.00 11.31 H new ATOM 261 N GLN A 19 16.382 8.980 5.238 1.00 72.12 N ATOM 262 CA GLN A 19 14.941 9.090 5.518 1.00 45.53 C ATOM 263 C GLN A 19 14.465 7.978 6.472 1.00 24.44 C ATOM 264 O GLN A 19 15.071 6.904 6.548 1.00 43.12 O ATOM 265 CB GLN A 19 14.141 9.034 4.208 1.00 0.00 C ATOM 266 CG GLN A 19 14.426 10.192 3.254 1.00 23.21 C ATOM 267 CD GLN A 19 14.071 11.550 3.840 1.00 35.13 C ATOM 268 OE1 GLN A 19 13.151 11.679 4.644 1.00 31.11 O ATOM 269 NE2 GLN A 19 14.806 12.572 3.450 1.00 53.31 N ATOM 0 H GLN A 19 16.641 8.142 4.718 1.00 72.12 H new ATOM 0 HA GLN A 19 14.769 10.049 6.006 1.00 45.53 H new ATOM 0 HB2 GLN A 19 14.362 8.096 3.700 1.00 0.00 H new ATOM 0 HB3 GLN A 19 13.077 9.025 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.483 10.183 2.987 1.00 23.21 H new ATOM 0 HG3 GLN A 19 13.863 10.042 2.332 1.00 23.21 H new ATOM 0 HE21 GLN A 19 15.563 12.430 2.781 1.00 53.31 H new ATOM 0 HE22 GLN A 19 14.618 13.505 3.817 1.00 53.31 H new ATOM 278 N ALA A 20 13.390 8.248 7.211 1.00 11.02 N ATOM 279 CA ALA A 20 12.830 7.279 8.165 1.00 65.43 C ATOM 280 C ALA A 20 11.493 6.696 7.678 1.00 55.11 C ATOM 281 O ALA A 20 10.760 7.342 6.929 1.00 35.11 O ATOM 282 CB ALA A 20 12.642 7.943 9.521 1.00 1.34 C ATOM 0 H ALA A 20 12.884 9.133 7.170 1.00 11.02 H new ATOM 0 HA ALA A 20 13.536 6.453 8.251 1.00 65.43 H new ATOM 0 HB1 ALA A 20 12.227 7.222 10.225 1.00 1.34 H new ATOM 0 HB2 ALA A 20 13.605 8.297 9.889 1.00 1.34 H new ATOM 0 HB3 ALA A 20 11.959 8.787 9.421 1.00 1.34 H new ATOM 288 N PHE A 21 11.183 5.471 8.109 1.00 33.51 N ATOM 289 CA PHE A 21 9.918 4.809 7.747 1.00 64.44 C ATOM 290 C PHE A 21 8.940 4.751 8.936 1.00 71.21 C ATOM 291 O PHE A 21 9.099 3.924 9.837 1.00 32.34 O ATOM 292 CB PHE A 21 10.186 3.380 7.246 1.00 70.43 C ATOM 293 CG PHE A 21 10.870 3.312 5.902 1.00 53.31 C ATOM 294 CD1 PHE A 21 10.184 3.662 4.747 1.00 33.13 C ATOM 295 CD2 PHE A 21 12.187 2.889 5.790 1.00 54.13 C ATOM 296 CE1 PHE A 21 10.798 3.592 3.511 1.00 11.55 C ATOM 297 CE2 PHE A 21 12.805 2.820 4.556 1.00 2.24 C ATOM 298 CZ PHE A 21 12.110 3.171 3.414 1.00 21.43 C ATOM 0 H PHE A 21 11.789 4.913 8.710 1.00 33.51 H new ATOM 0 HA PHE A 21 9.462 5.402 6.954 1.00 64.44 H new ATOM 0 HB2 PHE A 21 10.801 2.859 7.980 1.00 70.43 H new ATOM 0 HB3 PHE A 21 9.238 2.845 7.186 1.00 70.43 H new ATOM 0 HD1 PHE A 21 9.158 3.993 4.815 1.00 33.13 H new ATOM 0 HD2 PHE A 21 12.735 2.610 6.678 1.00 54.13 H new ATOM 0 HE1 PHE A 21 10.252 3.867 2.621 1.00 11.55 H new ATOM 0 HE2 PHE A 21 13.831 2.492 4.484 1.00 2.24 H new ATOM 0 HZ PHE A 21 12.591 3.116 2.449 1.00 21.43 H new ATOM 308 N PRO A 22 7.915 5.626 8.965 1.00 24.30 N ATOM 309 CA PRO A 22 6.850 5.557 9.974 1.00 2.04 C ATOM 310 C PRO A 22 5.715 4.602 9.553 1.00 53.22 C ATOM 311 O PRO A 22 4.847 4.964 8.754 1.00 3.11 O ATOM 312 CB PRO A 22 6.362 7.007 10.033 1.00 30.13 C ATOM 313 CG PRO A 22 6.554 7.529 8.640 1.00 73.12 C ATOM 314 CD PRO A 22 7.720 6.764 8.041 1.00 60.43 C ATOM 0 HA PRO A 22 7.193 5.167 10.932 1.00 2.04 H new ATOM 0 HB2 PRO A 22 5.316 7.061 10.336 1.00 30.13 H new ATOM 0 HB3 PRO A 22 6.934 7.588 10.756 1.00 30.13 H new ATOM 0 HG2 PRO A 22 5.652 7.385 8.046 1.00 73.12 H new ATOM 0 HG3 PRO A 22 6.760 8.599 8.653 1.00 73.12 H new ATOM 0 HD2 PRO A 22 7.496 6.423 7.030 1.00 60.43 H new ATOM 0 HD3 PRO A 22 8.614 7.384 7.978 1.00 60.43 H new ATOM 322 N ARG A 23 5.715 3.381 10.090 1.00 62.41 N ATOM 323 CA ARG A 23 4.758 2.363 9.643 1.00 72.43 C ATOM 324 C ARG A 23 3.349 2.598 10.208 1.00 53.40 C ATOM 325 O ARG A 23 2.365 2.257 9.561 1.00 41.10 O ATOM 326 CB ARG A 23 5.238 0.941 9.988 1.00 50.35 C ATOM 327 CG ARG A 23 5.238 0.597 11.479 1.00 52.01 C ATOM 328 CD ARG A 23 5.522 -0.889 11.699 1.00 33.04 C ATOM 329 NE ARG A 23 5.548 -1.256 13.116 1.00 44.21 N ATOM 330 CZ ARG A 23 5.086 -2.385 13.596 1.00 43.20 C ATOM 331 NH1 ARG A 23 4.513 -3.252 12.822 1.00 62.14 N ATOM 332 NH2 ARG A 23 5.199 -2.645 14.855 1.00 74.13 N ATOM 0 H ARG A 23 6.355 3.074 10.823 1.00 62.41 H new ATOM 0 HA ARG A 23 4.701 2.456 8.558 1.00 72.43 H new ATOM 0 HB2 ARG A 23 4.604 0.224 9.466 1.00 50.35 H new ATOM 0 HB3 ARG A 23 6.249 0.812 9.602 1.00 50.35 H new ATOM 0 HG2 ARG A 23 5.990 1.195 11.994 1.00 52.01 H new ATOM 0 HG3 ARG A 23 4.273 0.855 11.915 1.00 52.01 H new ATOM 0 HD2 ARG A 23 4.761 -1.479 11.189 1.00 33.04 H new ATOM 0 HD3 ARG A 23 6.480 -1.143 11.245 1.00 33.04 H new ATOM 0 HE ARG A 23 5.952 -0.589 13.773 1.00 44.21 H new ATOM 0 HH11 ARG A 23 4.417 -3.060 11.825 1.00 62.14 H new ATOM 0 HH12 ARG A 23 4.158 -4.126 13.210 1.00 62.14 H new ATOM 0 HH21 ARG A 23 5.648 -1.972 15.476 1.00 74.13 H new ATOM 0 HH22 ARG A 23 4.840 -3.523 15.229 1.00 74.13 H new ATOM 346 N LYS A 24 3.247 3.185 11.401 1.00 34.31 N ATOM 347 CA LYS A 24 1.937 3.421 12.030 1.00 22.41 C ATOM 348 C LYS A 24 1.025 4.300 11.159 1.00 11.02 C ATOM 349 O LYS A 24 -0.108 3.920 10.866 1.00 25.30 O ATOM 350 CB LYS A 24 2.099 4.041 13.422 1.00 34.00 C ATOM 351 CG LYS A 24 2.672 3.075 14.453 1.00 74.51 C ATOM 352 CD LYS A 24 2.678 3.682 15.853 1.00 34.14 C ATOM 353 CE LYS A 24 3.094 2.667 16.912 1.00 22.12 C ATOM 354 NZ LYS A 24 3.019 3.230 18.287 1.00 1.43 N ATOM 0 H LYS A 24 4.044 3.505 11.951 1.00 34.31 H new ATOM 0 HA LYS A 24 1.457 2.448 12.132 1.00 22.41 H new ATOM 0 HB2 LYS A 24 2.750 4.912 13.350 1.00 34.00 H new ATOM 0 HB3 LYS A 24 1.129 4.397 13.768 1.00 34.00 H new ATOM 0 HG2 LYS A 24 2.085 2.157 14.457 1.00 74.51 H new ATOM 0 HG3 LYS A 24 3.689 2.802 14.170 1.00 74.51 H new ATOM 0 HD2 LYS A 24 3.360 4.532 15.877 1.00 34.14 H new ATOM 0 HD3 LYS A 24 1.684 4.064 16.087 1.00 34.14 H new ATOM 0 HE2 LYS A 24 2.451 1.789 16.845 1.00 22.12 H new ATOM 0 HE3 LYS A 24 4.112 2.332 16.713 1.00 22.12 H new ATOM 0 HZ1 LYS A 24 3.310 2.506 18.975 1.00 1.43 H new ATOM 0 HZ2 LYS A 24 3.652 4.052 18.361 1.00 1.43 H new ATOM 0 HZ3 LYS A 24 2.042 3.526 18.488 1.00 1.43 H new ATOM 368 N PHE A 25 1.522 5.467 10.742 1.00 72.52 N ATOM 369 CA PHE A 25 0.752 6.365 9.862 1.00 34.32 C ATOM 370 C PHE A 25 0.310 5.656 8.571 1.00 43.34 C ATOM 371 O PHE A 25 -0.846 5.764 8.151 1.00 35.52 O ATOM 372 CB PHE A 25 1.578 7.610 9.504 1.00 23.51 C ATOM 373 CG PHE A 25 1.810 8.556 10.659 1.00 21.12 C ATOM 374 CD1 PHE A 25 0.849 9.500 11.001 1.00 11.01 C ATOM 375 CD2 PHE A 25 2.986 8.510 11.395 1.00 53.51 C ATOM 376 CE1 PHE A 25 1.057 10.372 12.051 1.00 64.03 C ATOM 377 CE2 PHE A 25 3.197 9.384 12.447 1.00 30.03 C ATOM 378 CZ PHE A 25 2.231 10.314 12.776 1.00 40.04 C ATOM 0 H PHE A 25 2.447 5.815 10.994 1.00 72.52 H new ATOM 0 HA PHE A 25 -0.140 6.665 10.411 1.00 34.32 H new ATOM 0 HB2 PHE A 25 2.544 7.291 9.112 1.00 23.51 H new ATOM 0 HB3 PHE A 25 1.072 8.150 8.704 1.00 23.51 H new ATOM 0 HD1 PHE A 25 -0.072 9.552 10.439 1.00 11.01 H new ATOM 0 HD2 PHE A 25 3.745 7.784 11.144 1.00 53.51 H new ATOM 0 HE1 PHE A 25 0.301 11.100 12.306 1.00 64.03 H new ATOM 0 HE2 PHE A 25 4.117 9.339 13.011 1.00 30.03 H new ATOM 0 HZ PHE A 25 2.393 10.995 13.599 1.00 40.04 H new ATOM 388 N VAL A 26 1.239 4.933 7.952 1.00 61.34 N ATOM 389 CA VAL A 26 0.967 4.221 6.702 1.00 0.31 C ATOM 390 C VAL A 26 -0.074 3.104 6.898 1.00 71.40 C ATOM 391 O VAL A 26 -1.037 2.993 6.135 1.00 21.21 O ATOM 392 CB VAL A 26 2.267 3.621 6.113 1.00 20.34 C ATOM 393 CG1 VAL A 26 1.998 2.930 4.781 1.00 62.32 C ATOM 394 CG2 VAL A 26 3.339 4.700 5.955 1.00 74.01 C ATOM 0 H VAL A 26 2.193 4.823 8.296 1.00 61.34 H new ATOM 0 HA VAL A 26 0.560 4.951 6.002 1.00 0.31 H new ATOM 0 HB VAL A 26 2.636 2.871 6.812 1.00 20.34 H new ATOM 0 HG11 VAL A 26 2.928 2.518 4.390 1.00 62.32 H new ATOM 0 HG12 VAL A 26 1.278 2.125 4.928 1.00 62.32 H new ATOM 0 HG13 VAL A 26 1.595 3.652 4.071 1.00 62.32 H new ATOM 0 HG21 VAL A 26 4.244 4.256 5.540 1.00 74.01 H new ATOM 0 HG22 VAL A 26 2.976 5.478 5.284 1.00 74.01 H new ATOM 0 HG23 VAL A 26 3.563 5.136 6.929 1.00 74.01 H new ATOM 404 N LEU A 27 0.121 2.285 7.932 1.00 41.52 N ATOM 405 CA LEU A 27 -0.803 1.188 8.240 1.00 51.03 C ATOM 406 C LEU A 27 -2.179 1.714 8.670 1.00 23.55 C ATOM 407 O LEU A 27 -3.203 1.092 8.388 1.00 31.22 O ATOM 408 CB LEU A 27 -0.217 0.280 9.334 1.00 52.13 C ATOM 409 CG LEU A 27 1.074 -0.464 8.949 1.00 42.15 C ATOM 410 CD1 LEU A 27 1.576 -1.318 10.112 1.00 43.44 C ATOM 411 CD2 LEU A 27 0.855 -1.320 7.702 1.00 2.34 C ATOM 0 H LEU A 27 0.911 2.359 8.573 1.00 41.52 H new ATOM 0 HA LEU A 27 -0.936 0.605 7.329 1.00 51.03 H new ATOM 0 HB2 LEU A 27 -0.018 0.886 10.218 1.00 52.13 H new ATOM 0 HB3 LEU A 27 -0.971 -0.456 9.615 1.00 52.13 H new ATOM 0 HG LEU A 27 1.838 0.279 8.720 1.00 42.15 H new ATOM 0 HD11 LEU A 27 2.489 -1.834 9.817 1.00 43.44 H new ATOM 0 HD12 LEU A 27 1.782 -0.679 10.970 1.00 43.44 H new ATOM 0 HD13 LEU A 27 0.815 -2.051 10.380 1.00 43.44 H new ATOM 0 HD21 LEU A 27 1.781 -1.837 7.448 1.00 2.34 H new ATOM 0 HD22 LEU A 27 0.072 -2.053 7.897 1.00 2.34 H new ATOM 0 HD23 LEU A 27 0.556 -0.682 6.870 1.00 2.34 H new ATOM 423 N ALA A 28 -2.196 2.864 9.345 1.00 53.42 N ATOM 424 CA ALA A 28 -3.452 3.516 9.735 1.00 53.21 C ATOM 425 C ALA A 28 -4.301 3.863 8.503 1.00 41.13 C ATOM 426 O ALA A 28 -5.528 3.747 8.524 1.00 2.51 O ATOM 427 CB ALA A 28 -3.168 4.771 10.555 1.00 54.22 C ATOM 0 H ALA A 28 -1.356 3.365 9.634 1.00 53.42 H new ATOM 0 HA ALA A 28 -4.018 2.816 10.349 1.00 53.21 H new ATOM 0 HB1 ALA A 28 -4.110 5.243 10.836 1.00 54.22 H new ATOM 0 HB2 ALA A 28 -2.615 4.501 11.454 1.00 54.22 H new ATOM 0 HB3 ALA A 28 -2.576 5.468 9.961 1.00 54.22 H new ATOM 433 N ALA A 29 -3.641 4.289 7.430 1.00 31.24 N ATOM 434 CA ALA A 29 -4.319 4.551 6.159 1.00 62.01 C ATOM 435 C ALA A 29 -4.730 3.239 5.477 1.00 64.45 C ATOM 436 O ALA A 29 -5.832 3.118 4.939 1.00 23.51 O ATOM 437 CB ALA A 29 -3.414 5.364 5.241 1.00 74.13 C ATOM 0 H ALA A 29 -2.636 4.461 7.413 1.00 31.24 H new ATOM 0 HA ALA A 29 -5.223 5.124 6.364 1.00 62.01 H new ATOM 0 HB1 ALA A 29 -3.928 5.553 4.298 1.00 74.13 H new ATOM 0 HB2 ALA A 29 -3.170 6.313 5.718 1.00 74.13 H new ATOM 0 HB3 ALA A 29 -2.497 4.808 5.049 1.00 74.13 H new ATOM 443 N LEU A 30 -3.827 2.261 5.517 1.00 5.33 N ATOM 444 CA LEU A 30 -4.059 0.945 4.914 1.00 70.21 C ATOM 445 C LEU A 30 -5.323 0.271 5.482 1.00 73.24 C ATOM 446 O LEU A 30 -6.254 -0.034 4.741 1.00 14.44 O ATOM 447 CB LEU A 30 -2.830 0.055 5.144 1.00 71.32 C ATOM 448 CG LEU A 30 -2.882 -1.347 4.511 1.00 60.44 C ATOM 449 CD1 LEU A 30 -3.066 -1.260 3.000 1.00 24.42 C ATOM 450 CD2 LEU A 30 -1.618 -2.129 4.854 1.00 41.42 C ATOM 0 H LEU A 30 -2.916 2.355 5.966 1.00 5.33 H new ATOM 0 HA LEU A 30 -4.219 1.083 3.845 1.00 70.21 H new ATOM 0 HB2 LEU A 30 -1.953 0.574 4.757 1.00 71.32 H new ATOM 0 HB3 LEU A 30 -2.685 -0.059 6.218 1.00 71.32 H new ATOM 0 HG LEU A 30 -3.742 -1.875 4.923 1.00 60.44 H new ATOM 0 HD11 LEU A 30 -3.099 -2.265 2.579 1.00 24.42 H new ATOM 0 HD12 LEU A 30 -3.998 -0.742 2.776 1.00 24.42 H new ATOM 0 HD13 LEU A 30 -2.232 -0.711 2.563 1.00 24.42 H new ATOM 0 HD21 LEU A 30 -1.668 -3.119 4.400 1.00 41.42 H new ATOM 0 HD22 LEU A 30 -0.746 -1.598 4.471 1.00 41.42 H new ATOM 0 HD23 LEU A 30 -1.535 -2.230 5.936 1.00 41.42 H new ATOM 462 N GLU A 31 -5.356 0.067 6.801 1.00 11.34 N ATOM 463 CA GLU A 31 -6.490 -0.599 7.463 1.00 43.13 C ATOM 464 C GLU A 31 -7.833 0.083 7.140 1.00 32.20 C ATOM 465 O GLU A 31 -8.862 -0.582 7.003 1.00 11.21 O ATOM 466 CB GLU A 31 -6.276 -0.630 8.987 1.00 12.01 C ATOM 467 CG GLU A 31 -6.163 0.751 9.624 1.00 10.31 C ATOM 468 CD GLU A 31 -6.074 0.702 11.142 1.00 71.22 C ATOM 469 OE1 GLU A 31 -4.949 0.615 11.680 1.00 62.54 O ATOM 470 OE2 GLU A 31 -7.132 0.754 11.806 1.00 73.41 O ATOM 0 H GLU A 31 -4.611 0.353 7.436 1.00 11.34 H new ATOM 0 HA GLU A 31 -6.534 -1.618 7.078 1.00 43.13 H new ATOM 0 HB2 GLU A 31 -7.105 -1.166 9.449 1.00 12.01 H new ATOM 0 HB3 GLU A 31 -5.370 -1.195 9.205 1.00 12.01 H new ATOM 0 HG2 GLU A 31 -5.280 1.255 9.230 1.00 10.31 H new ATOM 0 HG3 GLU A 31 -7.027 1.349 9.336 1.00 10.31 H new ATOM 477 N GLN A 32 -7.816 1.410 7.016 1.00 72.41 N ATOM 478 CA GLN A 32 -9.031 2.177 6.704 1.00 41.13 C ATOM 479 C GLN A 32 -9.386 2.101 5.210 1.00 63.21 C ATOM 480 O GLN A 32 -10.511 2.414 4.810 1.00 11.43 O ATOM 481 CB GLN A 32 -8.859 3.637 7.143 1.00 0.34 C ATOM 482 CG GLN A 32 -8.783 3.804 8.658 1.00 53.24 C ATOM 483 CD GLN A 32 -8.663 5.253 9.094 1.00 61.13 C ATOM 484 OE1 GLN A 32 -9.655 5.929 9.331 1.00 72.41 O ATOM 485 NE2 GLN A 32 -7.445 5.738 9.205 1.00 34.01 N ATOM 0 H GLN A 32 -6.977 1.980 7.126 1.00 72.41 H new ATOM 0 HA GLN A 32 -9.858 1.732 7.257 1.00 41.13 H new ATOM 0 HB2 GLN A 32 -7.952 4.040 6.693 1.00 0.34 H new ATOM 0 HB3 GLN A 32 -9.693 4.225 6.760 1.00 0.34 H new ATOM 0 HG2 GLN A 32 -9.674 3.368 9.110 1.00 53.24 H new ATOM 0 HG3 GLN A 32 -7.927 3.245 9.036 1.00 53.24 H new ATOM 0 HE21 GLN A 32 -6.640 5.146 9.000 1.00 34.01 H new ATOM 0 HE22 GLN A 32 -7.306 6.706 9.497 1.00 34.01 H new ATOM 494 N SER A 33 -8.422 1.689 4.389 1.00 55.43 N ATOM 495 CA SER A 33 -8.650 1.485 2.949 1.00 21.11 C ATOM 496 C SER A 33 -8.880 -0.001 2.630 1.00 44.33 C ATOM 497 O SER A 33 -9.170 -0.369 1.490 1.00 72.15 O ATOM 498 CB SER A 33 -7.451 2.007 2.136 1.00 52.35 C ATOM 499 OG SER A 33 -7.667 1.868 0.739 1.00 64.15 O ATOM 0 H SER A 33 -7.469 1.488 4.693 1.00 55.43 H new ATOM 0 HA SER A 33 -9.544 2.043 2.672 1.00 21.11 H new ATOM 0 HB2 SER A 33 -7.277 3.056 2.375 1.00 52.35 H new ATOM 0 HB3 SER A 33 -6.552 1.462 2.422 1.00 52.35 H new ATOM 0 HG SER A 33 -8.202 1.065 0.569 1.00 64.15 H new ATOM 505 N SER A 34 -8.736 -0.848 3.649 1.00 33.14 N ATOM 506 CA SER A 34 -8.886 -2.305 3.493 1.00 0.24 C ATOM 507 C SER A 34 -10.339 -2.767 3.662 1.00 12.41 C ATOM 508 O SER A 34 -11.125 -2.148 4.381 1.00 13.41 O ATOM 509 CB SER A 34 -8.004 -3.048 4.510 1.00 32.24 C ATOM 510 OG SER A 34 -6.621 -2.852 4.247 1.00 51.52 O ATOM 0 H SER A 34 -8.514 -0.553 4.600 1.00 33.14 H new ATOM 0 HA SER A 34 -8.571 -2.542 2.477 1.00 0.24 H new ATOM 0 HB2 SER A 34 -8.236 -2.700 5.516 1.00 32.24 H new ATOM 0 HB3 SER A 34 -8.233 -4.113 4.481 1.00 32.24 H new ATOM 0 HG SER A 34 -6.388 -1.913 4.403 1.00 51.52 H new ATOM 516 N ASP A 35 -10.685 -3.870 2.992 1.00 73.20 N ATOM 517 CA ASP A 35 -12.001 -4.504 3.147 1.00 44.44 C ATOM 518 C ASP A 35 -12.065 -5.375 4.416 1.00 25.33 C ATOM 519 O ASP A 35 -11.147 -5.361 5.243 1.00 53.44 O ATOM 520 CB ASP A 35 -12.322 -5.353 1.912 1.00 51.50 C ATOM 521 CG ASP A 35 -12.596 -4.506 0.687 1.00 12.32 C ATOM 522 OD1 ASP A 35 -13.560 -3.715 0.717 1.00 3.21 O ATOM 523 OD2 ASP A 35 -11.857 -4.635 -0.312 1.00 23.24 O ATOM 0 H ASP A 35 -10.069 -4.346 2.333 1.00 73.20 H new ATOM 0 HA ASP A 35 -12.743 -3.712 3.248 1.00 44.44 H new ATOM 0 HB2 ASP A 35 -11.487 -6.023 1.708 1.00 51.50 H new ATOM 0 HB3 ASP A 35 -13.190 -5.979 2.120 1.00 51.50 H new ATOM 528 N ASP A 36 -13.147 -6.141 4.559 1.00 42.15 N ATOM 529 CA ASP A 36 -13.347 -6.999 5.731 1.00 42.21 C ATOM 530 C ASP A 36 -12.187 -7.995 5.916 1.00 31.10 C ATOM 531 O ASP A 36 -11.783 -8.290 7.040 1.00 31.14 O ATOM 532 CB ASP A 36 -14.671 -7.756 5.597 1.00 25.50 C ATOM 533 CG ASP A 36 -14.971 -8.619 6.808 1.00 53.31 C ATOM 534 OD1 ASP A 36 -15.456 -8.083 7.822 1.00 54.34 O ATOM 535 OD2 ASP A 36 -14.710 -9.839 6.755 1.00 42.52 O ATOM 0 H ASP A 36 -13.903 -6.186 3.875 1.00 42.15 H new ATOM 0 HA ASP A 36 -13.376 -6.359 6.613 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -15.482 -7.041 5.454 1.00 25.50 H new ATOM 0 HB3 ASP A 36 -14.639 -8.384 4.706 1.00 25.50 H new ATOM 540 N ALA A 37 -11.641 -8.494 4.808 1.00 51.25 N ATOM 541 CA ALA A 37 -10.547 -9.472 4.854 1.00 54.31 C ATOM 542 C ALA A 37 -9.191 -8.824 5.195 1.00 33.40 C ATOM 543 O ALA A 37 -8.173 -9.508 5.296 1.00 21.44 O ATOM 544 CB ALA A 37 -10.456 -10.214 3.526 1.00 62.30 C ATOM 0 H ALA A 37 -11.936 -8.239 3.866 1.00 51.25 H new ATOM 0 HA ALA A 37 -10.775 -10.176 5.654 1.00 54.31 H new ATOM 0 HB1 ALA A 37 -9.642 -10.938 3.569 1.00 62.30 H new ATOM 0 HB2 ALA A 37 -11.394 -10.734 3.335 1.00 62.30 H new ATOM 0 HB3 ALA A 37 -10.266 -9.501 2.723 1.00 62.30 H new ATOM 550 N GLY A 38 -9.184 -7.502 5.363 1.00 73.40 N ATOM 551 CA GLY A 38 -7.958 -6.791 5.725 1.00 62.35 C ATOM 552 C GLY A 38 -7.113 -6.382 4.522 1.00 73.31 C ATOM 553 O GLY A 38 -6.091 -5.714 4.672 1.00 44.30 O ATOM 0 H GLY A 38 -10.005 -6.906 5.256 1.00 73.40 H new ATOM 0 HA2 GLY A 38 -8.219 -5.900 6.295 1.00 62.35 H new ATOM 0 HA3 GLY A 38 -7.360 -7.424 6.380 1.00 62.35 H new ATOM 557 N TRP A 39 -7.546 -6.766 3.324 1.00 71.23 N ATOM 558 CA TRP A 39 -6.814 -6.444 2.090 1.00 50.12 C ATOM 559 C TRP A 39 -7.317 -5.135 1.457 1.00 32.33 C ATOM 560 O TRP A 39 -8.519 -4.957 1.249 1.00 25.41 O ATOM 561 CB TRP A 39 -6.955 -7.587 1.077 1.00 62.01 C ATOM 562 CG TRP A 39 -6.379 -8.889 1.548 1.00 11.21 C ATOM 563 CD1 TRP A 39 -7.019 -9.860 2.262 1.00 60.15 C ATOM 564 CD2 TRP A 39 -5.046 -9.365 1.332 1.00 72.33 C ATOM 565 NE1 TRP A 39 -6.165 -10.905 2.507 1.00 2.51 N ATOM 566 CE2 TRP A 39 -4.950 -10.627 1.942 1.00 32.04 C ATOM 567 CE3 TRP A 39 -3.925 -8.844 0.683 1.00 23.31 C ATOM 568 CZ2 TRP A 39 -3.780 -11.380 1.917 1.00 64.24 C ATOM 569 CZ3 TRP A 39 -2.762 -9.591 0.659 1.00 71.11 C ATOM 570 CH2 TRP A 39 -2.696 -10.847 1.273 1.00 63.23 C ATOM 0 H TRP A 39 -8.401 -7.302 3.176 1.00 71.23 H new ATOM 0 HA TRP A 39 -5.765 -6.314 2.356 1.00 50.12 H new ATOM 0 HB2 TRP A 39 -8.011 -7.729 0.849 1.00 62.01 H new ATOM 0 HB3 TRP A 39 -6.464 -7.299 0.147 1.00 62.01 H new ATOM 0 HD1 TRP A 39 -8.048 -9.813 2.587 1.00 60.15 H new ATOM 0 HE1 TRP A 39 -6.398 -11.752 3.026 1.00 2.51 H new ATOM 0 HE3 TRP A 39 -3.966 -7.875 0.208 1.00 23.31 H new ATOM 0 HZ2 TRP A 39 -3.729 -12.350 2.389 1.00 64.24 H new ATOM 0 HZ3 TRP A 39 -1.889 -9.199 0.158 1.00 71.11 H new ATOM 0 HH2 TRP A 39 -1.773 -11.406 1.238 1.00 63.23 H new ATOM 581 N ALA A 40 -6.395 -4.220 1.163 1.00 4.12 N ATOM 582 CA ALA A 40 -6.729 -2.953 0.494 1.00 31.24 C ATOM 583 C ALA A 40 -6.206 -2.924 -0.946 1.00 73.41 C ATOM 584 O ALA A 40 -5.143 -3.472 -1.240 1.00 72.34 O ATOM 585 CB ALA A 40 -6.148 -1.777 1.268 1.00 35.20 C ATOM 0 H ALA A 40 -5.404 -4.329 1.377 1.00 4.12 H new ATOM 0 HA ALA A 40 -7.816 -2.873 0.467 1.00 31.24 H new ATOM 0 HB1 ALA A 40 -6.403 -0.846 0.761 1.00 35.20 H new ATOM 0 HB2 ALA A 40 -6.561 -1.766 2.277 1.00 35.20 H new ATOM 0 HB3 ALA A 40 -5.064 -1.876 1.321 1.00 35.20 H new ATOM 591 N ASN A 41 -6.952 -2.276 -1.836 1.00 71.22 N ATOM 592 CA ASN A 41 -6.515 -2.096 -3.220 1.00 33.42 C ATOM 593 C ASN A 41 -5.405 -1.035 -3.296 1.00 33.32 C ATOM 594 O ASN A 41 -5.553 0.070 -2.767 1.00 74.01 O ATOM 595 CB ASN A 41 -7.710 -1.689 -4.100 1.00 32.13 C ATOM 596 CG ASN A 41 -7.369 -1.618 -5.584 1.00 4.40 C ATOM 597 OD1 ASN A 41 -6.255 -1.274 -5.976 1.00 24.52 O ATOM 598 ND2 ASN A 41 -8.327 -1.948 -6.425 1.00 32.15 N ATOM 0 H ASN A 41 -7.862 -1.866 -1.625 1.00 71.22 H new ATOM 0 HA ASN A 41 -6.114 -3.040 -3.589 1.00 33.42 H new ATOM 0 HB2 ASN A 41 -8.520 -2.404 -3.954 1.00 32.13 H new ATOM 0 HB3 ASN A 41 -8.080 -0.717 -3.772 1.00 32.13 H new ATOM 0 HD21 ASN A 41 -8.155 -1.922 -7.430 1.00 32.15 H new ATOM 0 HD22 ASN A 41 -9.241 -2.229 -6.071 1.00 32.15 H new ATOM 605 N LEU A 42 -4.301 -1.383 -3.958 1.00 53.41 N ATOM 606 CA LEU A 42 -3.148 -0.480 -4.125 1.00 11.55 C ATOM 607 C LEU A 42 -3.572 0.952 -4.518 1.00 74.31 C ATOM 608 O LEU A 42 -3.059 1.935 -3.973 1.00 70.23 O ATOM 609 CB LEU A 42 -2.206 -1.058 -5.193 1.00 43.32 C ATOM 610 CG LEU A 42 -0.942 -0.231 -5.494 1.00 11.30 C ATOM 611 CD1 LEU A 42 -0.057 -0.114 -4.254 1.00 23.43 C ATOM 612 CD2 LEU A 42 -0.169 -0.848 -6.663 1.00 2.04 C ATOM 0 H LEU A 42 -4.175 -2.296 -4.395 1.00 53.41 H new ATOM 0 HA LEU A 42 -2.638 -0.409 -3.164 1.00 11.55 H new ATOM 0 HB2 LEU A 42 -1.898 -2.055 -4.877 1.00 43.32 H new ATOM 0 HB3 LEU A 42 -2.768 -1.177 -6.119 1.00 43.32 H new ATOM 0 HG LEU A 42 -1.249 0.776 -5.778 1.00 11.30 H new ATOM 0 HD11 LEU A 42 0.829 0.475 -4.493 1.00 23.43 H new ATOM 0 HD12 LEU A 42 -0.613 0.376 -3.455 1.00 23.43 H new ATOM 0 HD13 LEU A 42 0.246 -1.109 -3.928 1.00 23.43 H new ATOM 0 HD21 LEU A 42 0.722 -0.253 -6.865 1.00 2.04 H new ATOM 0 HD22 LEU A 42 0.125 -1.866 -6.408 1.00 2.04 H new ATOM 0 HD23 LEU A 42 -0.803 -0.865 -7.550 1.00 2.04 H new ATOM 624 N GLY A 43 -4.517 1.058 -5.455 1.00 1.21 N ATOM 625 CA GLY A 43 -4.976 2.363 -5.928 1.00 23.25 C ATOM 626 C GLY A 43 -5.628 3.219 -4.842 1.00 31.01 C ATOM 627 O GLY A 43 -5.446 4.439 -4.807 1.00 41.21 O ATOM 0 H GLY A 43 -4.975 0.262 -5.898 1.00 1.21 H new ATOM 0 HA2 GLY A 43 -4.128 2.906 -6.346 1.00 23.25 H new ATOM 0 HA3 GLY A 43 -5.690 2.215 -6.738 1.00 23.25 H new ATOM 631 N ASN A 44 -6.394 2.588 -3.956 1.00 11.20 N ATOM 632 CA ASN A 44 -7.063 3.305 -2.863 1.00 31.45 C ATOM 633 C ASN A 44 -6.099 3.567 -1.697 1.00 24.10 C ATOM 634 O ASN A 44 -6.167 4.609 -1.041 1.00 53.33 O ATOM 635 CB ASN A 44 -8.282 2.518 -2.377 1.00 44.31 C ATOM 636 CG ASN A 44 -9.344 2.377 -3.453 1.00 63.14 C ATOM 637 OD1 ASN A 44 -9.486 3.234 -4.319 1.00 72.11 O ATOM 638 ND2 ASN A 44 -10.100 1.299 -3.404 1.00 44.13 N ATOM 0 H ASN A 44 -6.570 1.583 -3.969 1.00 11.20 H new ATOM 0 HA ASN A 44 -7.395 4.269 -3.248 1.00 31.45 H new ATOM 0 HB2 ASN A 44 -7.965 1.527 -2.050 1.00 44.31 H new ATOM 0 HB3 ASN A 44 -8.712 3.018 -1.509 1.00 44.31 H new ATOM 0 HD21 ASN A 44 -10.831 1.157 -4.101 1.00 44.13 H new ATOM 0 HD22 ASN A 44 -9.954 0.607 -2.669 1.00 44.13 H new ATOM 645 N PHE A 45 -5.198 2.616 -1.452 1.00 32.41 N ATOM 646 CA PHE A 45 -4.161 2.760 -0.424 1.00 1.41 C ATOM 647 C PHE A 45 -3.304 4.014 -0.663 1.00 70.13 C ATOM 648 O PHE A 45 -3.173 4.863 0.220 1.00 20.11 O ATOM 649 CB PHE A 45 -3.274 1.506 -0.395 1.00 24.15 C ATOM 650 CG PHE A 45 -2.051 1.638 0.481 1.00 14.31 C ATOM 651 CD1 PHE A 45 -2.175 1.929 1.833 1.00 71.51 C ATOM 652 CD2 PHE A 45 -0.777 1.469 -0.047 1.00 71.24 C ATOM 653 CE1 PHE A 45 -1.057 2.049 2.635 1.00 23.54 C ATOM 654 CE2 PHE A 45 0.341 1.588 0.754 1.00 32.22 C ATOM 655 CZ PHE A 45 0.201 1.879 2.094 1.00 30.13 C ATOM 0 H PHE A 45 -5.164 1.729 -1.955 1.00 32.41 H new ATOM 0 HA PHE A 45 -4.654 2.874 0.541 1.00 1.41 H new ATOM 0 HB2 PHE A 45 -3.868 0.661 -0.047 1.00 24.15 H new ATOM 0 HB3 PHE A 45 -2.957 1.275 -1.412 1.00 24.15 H new ATOM 0 HD1 PHE A 45 -3.157 2.063 2.262 1.00 71.51 H new ATOM 0 HD2 PHE A 45 -0.660 1.242 -1.096 1.00 71.24 H new ATOM 0 HE1 PHE A 45 -1.167 2.276 3.685 1.00 23.54 H new ATOM 0 HE2 PHE A 45 1.325 1.453 0.331 1.00 32.22 H new ATOM 0 HZ PHE A 45 1.076 1.974 2.720 1.00 30.13 H new ATOM 665 N GLY A 46 -2.732 4.127 -1.865 1.00 22.45 N ATOM 666 CA GLY A 46 -1.926 5.297 -2.208 1.00 62.42 C ATOM 667 C GLY A 46 -2.691 6.611 -2.064 1.00 54.22 C ATOM 668 O GLY A 46 -2.112 7.653 -1.746 1.00 45.13 O ATOM 0 H GLY A 46 -2.811 3.431 -2.607 1.00 22.45 H new ATOM 0 HA2 GLY A 46 -1.044 5.324 -1.568 1.00 62.42 H new ATOM 0 HA3 GLY A 46 -1.572 5.199 -3.234 1.00 62.42 H new ATOM 672 N ASN A 47 -4.002 6.550 -2.291 1.00 51.21 N ATOM 673 CA ASN A 47 -4.881 7.716 -2.164 1.00 32.31 C ATOM 674 C ASN A 47 -5.064 8.119 -0.686 1.00 72.22 C ATOM 675 O ASN A 47 -4.694 9.226 -0.279 1.00 0.43 O ATOM 676 CB ASN A 47 -6.241 7.401 -2.811 1.00 4.34 C ATOM 677 CG ASN A 47 -7.165 8.606 -2.913 1.00 3.23 C ATOM 678 OD1 ASN A 47 -7.133 9.513 -2.088 1.00 75.14 O ATOM 679 ND2 ASN A 47 -8.008 8.623 -3.926 1.00 33.33 N ATOM 0 H ASN A 47 -4.485 5.695 -2.567 1.00 51.21 H new ATOM 0 HA ASN A 47 -4.421 8.560 -2.679 1.00 32.31 H new ATOM 0 HB2 ASN A 47 -6.073 6.998 -3.810 1.00 4.34 H new ATOM 0 HB3 ASN A 47 -6.737 6.622 -2.232 1.00 4.34 H new ATOM 0 HD21 ASN A 47 -8.655 9.404 -4.038 1.00 33.33 H new ATOM 0 HD22 ASN A 47 -8.014 7.856 -4.598 1.00 33.33 H new ATOM 686 N TYR A 48 -5.610 7.209 0.123 1.00 44.41 N ATOM 687 CA TYR A 48 -5.904 7.501 1.532 1.00 11.45 C ATOM 688 C TYR A 48 -4.618 7.790 2.330 1.00 54.41 C ATOM 689 O TYR A 48 -4.629 8.569 3.288 1.00 14.10 O ATOM 690 CB TYR A 48 -6.688 6.341 2.170 1.00 0.12 C ATOM 691 CG TYR A 48 -7.512 6.762 3.379 1.00 40.21 C ATOM 692 CD1 TYR A 48 -8.727 7.416 3.212 1.00 0.21 C ATOM 693 CD2 TYR A 48 -7.075 6.522 4.679 1.00 44.50 C ATOM 694 CE1 TYR A 48 -9.482 7.815 4.297 1.00 34.54 C ATOM 695 CE2 TYR A 48 -7.826 6.922 5.772 1.00 4.21 C ATOM 696 CZ TYR A 48 -9.029 7.569 5.573 1.00 55.24 C ATOM 697 OH TYR A 48 -9.780 7.978 6.655 1.00 23.13 O ATOM 0 H TYR A 48 -5.858 6.264 -0.171 1.00 44.41 H new ATOM 0 HA TYR A 48 -6.521 8.399 1.563 1.00 11.45 H new ATOM 0 HB2 TYR A 48 -7.350 5.905 1.422 1.00 0.12 H new ATOM 0 HB3 TYR A 48 -5.988 5.561 2.470 1.00 0.12 H new ATOM 0 HD1 TYR A 48 -9.088 7.616 2.214 1.00 0.21 H new ATOM 0 HD2 TYR A 48 -6.135 6.015 4.838 1.00 44.50 H new ATOM 0 HE1 TYR A 48 -10.425 8.319 4.145 1.00 34.54 H new ATOM 0 HE2 TYR A 48 -7.472 6.729 6.774 1.00 4.21 H new ATOM 0 HH TYR A 48 -9.322 7.728 7.484 1.00 23.13 H new ATOM 707 N LEU A 49 -3.508 7.167 1.926 1.00 11.31 N ATOM 708 CA LEU A 49 -2.203 7.426 2.552 1.00 71.13 C ATOM 709 C LEU A 49 -1.787 8.897 2.388 1.00 71.31 C ATOM 710 O LEU A 49 -1.230 9.499 3.304 1.00 74.32 O ATOM 711 CB LEU A 49 -1.128 6.504 1.953 1.00 61.54 C ATOM 712 CG LEU A 49 0.308 6.732 2.468 1.00 12.55 C ATOM 713 CD1 LEU A 49 0.382 6.562 3.985 1.00 45.31 C ATOM 714 CD2 LEU A 49 1.288 5.788 1.771 1.00 34.14 C ATOM 0 H LEU A 49 -3.484 6.481 1.171 1.00 11.31 H new ATOM 0 HA LEU A 49 -2.298 7.217 3.618 1.00 71.13 H new ATOM 0 HB2 LEU A 49 -1.408 5.470 2.156 1.00 61.54 H new ATOM 0 HB3 LEU A 49 -1.130 6.628 0.870 1.00 61.54 H new ATOM 0 HG LEU A 49 0.591 7.758 2.231 1.00 12.55 H new ATOM 0 HD11 LEU A 49 1.406 6.728 4.320 1.00 45.31 H new ATOM 0 HD12 LEU A 49 -0.279 7.284 4.465 1.00 45.31 H new ATOM 0 HD13 LEU A 49 0.072 5.552 4.254 1.00 45.31 H new ATOM 0 HD21 LEU A 49 2.295 5.965 2.149 1.00 34.14 H new ATOM 0 HD22 LEU A 49 1.002 4.755 1.970 1.00 34.14 H new ATOM 0 HD23 LEU A 49 1.266 5.970 0.696 1.00 34.14 H new ATOM 726 N ASN A 50 -2.083 9.473 1.222 1.00 11.24 N ATOM 727 CA ASN A 50 -1.740 10.873 0.933 1.00 11.31 C ATOM 728 C ASN A 50 -2.511 11.839 1.852 1.00 15.42 C ATOM 729 O ASN A 50 -2.081 12.969 2.094 1.00 14.13 O ATOM 730 CB ASN A 50 -2.033 11.188 -0.542 1.00 23.40 C ATOM 731 CG ASN A 50 -1.510 12.550 -0.968 1.00 64.03 C ATOM 732 OD1 ASN A 50 -2.216 13.553 -0.910 1.00 53.14 O ATOM 733 ND2 ASN A 50 -0.265 12.597 -1.398 1.00 24.33 N ATOM 0 H ASN A 50 -2.560 8.993 0.459 1.00 11.24 H new ATOM 0 HA ASN A 50 -0.676 11.011 1.125 1.00 11.31 H new ATOM 0 HB2 ASN A 50 -1.583 10.419 -1.169 1.00 23.40 H new ATOM 0 HB3 ASN A 50 -3.109 11.148 -0.711 1.00 23.40 H new ATOM 0 HD21 ASN A 50 0.139 13.485 -1.695 1.00 24.33 H new ATOM 0 HD22 ASN A 50 0.295 11.745 -1.434 1.00 24.33 H new ATOM 740 N LYS A 51 -3.650 11.383 2.366 1.00 33.21 N ATOM 741 CA LYS A 51 -4.467 12.188 3.281 1.00 31.02 C ATOM 742 C LYS A 51 -3.808 12.308 4.665 1.00 60.21 C ATOM 743 O LYS A 51 -3.836 13.369 5.290 1.00 53.13 O ATOM 744 CB LYS A 51 -5.868 11.577 3.417 1.00 24.50 C ATOM 745 CG LYS A 51 -6.613 11.449 2.089 1.00 21.22 C ATOM 746 CD LYS A 51 -7.994 10.820 2.268 1.00 64.22 C ATOM 747 CE LYS A 51 -8.922 11.695 3.106 1.00 40.33 C ATOM 748 NZ LYS A 51 -9.150 13.031 2.493 1.00 21.23 N ATOM 0 H LYS A 51 -4.032 10.459 2.166 1.00 33.21 H new ATOM 0 HA LYS A 51 -4.551 13.190 2.860 1.00 31.02 H new ATOM 0 HB2 LYS A 51 -5.782 10.590 3.872 1.00 24.50 H new ATOM 0 HB3 LYS A 51 -6.458 12.191 4.097 1.00 24.50 H new ATOM 0 HG2 LYS A 51 -6.719 12.435 1.636 1.00 21.22 H new ATOM 0 HG3 LYS A 51 -6.025 10.843 1.400 1.00 21.22 H new ATOM 0 HD2 LYS A 51 -8.443 10.650 1.290 1.00 64.22 H new ATOM 0 HD3 LYS A 51 -7.888 9.845 2.744 1.00 64.22 H new ATOM 0 HE2 LYS A 51 -9.879 11.188 3.232 1.00 40.33 H new ATOM 0 HE3 LYS A 51 -8.496 11.823 4.101 1.00 40.33 H new ATOM 0 HZ1 LYS A 51 -9.923 13.515 2.993 1.00 21.23 H new ATOM 0 HZ2 LYS A 51 -8.282 13.599 2.566 1.00 21.23 H new ATOM 0 HZ3 LYS A 51 -9.405 12.914 1.491 1.00 21.23 H new ATOM 762 N LEU A 52 -3.217 11.214 5.143 1.00 40.43 N ATOM 763 CA LEU A 52 -2.544 11.208 6.451 1.00 20.52 C ATOM 764 C LEU A 52 -1.090 11.696 6.334 1.00 12.32 C ATOM 765 O LEU A 52 -0.582 12.396 7.213 1.00 71.31 O ATOM 766 CB LEU A 52 -2.573 9.801 7.070 1.00 22.20 C ATOM 767 CG LEU A 52 -3.968 9.161 7.197 1.00 32.21 C ATOM 768 CD1 LEU A 52 -3.884 7.825 7.935 1.00 55.14 C ATOM 769 CD2 LEU A 52 -4.946 10.109 7.893 1.00 33.41 C ATOM 0 H LEU A 52 -3.188 10.321 4.650 1.00 40.43 H new ATOM 0 HA LEU A 52 -3.086 11.894 7.101 1.00 20.52 H new ATOM 0 HB2 LEU A 52 -1.945 9.145 6.467 1.00 22.20 H new ATOM 0 HB3 LEU A 52 -2.123 9.850 8.062 1.00 22.20 H new ATOM 0 HG LEU A 52 -4.346 8.971 6.192 1.00 32.21 H new ATOM 0 HD11 LEU A 52 -4.880 7.390 8.014 1.00 55.14 H new ATOM 0 HD12 LEU A 52 -3.234 7.145 7.384 1.00 55.14 H new ATOM 0 HD13 LEU A 52 -3.478 7.986 8.934 1.00 55.14 H new ATOM 0 HD21 LEU A 52 -5.923 9.632 7.969 1.00 33.41 H new ATOM 0 HD22 LEU A 52 -4.577 10.343 8.892 1.00 33.41 H new ATOM 0 HD23 LEU A 52 -5.035 11.028 7.315 1.00 33.41 H new ATOM 781 N GLN A 53 -0.425 11.309 5.247 1.00 45.13 N ATOM 782 CA GLN A 53 0.959 11.722 4.976 1.00 21.43 C ATOM 783 C GLN A 53 1.067 12.423 3.607 1.00 43.54 C ATOM 784 O GLN A 53 1.390 11.790 2.598 1.00 22.10 O ATOM 785 CB GLN A 53 1.891 10.500 5.015 1.00 55.33 C ATOM 786 CG GLN A 53 1.970 9.805 6.372 1.00 2.43 C ATOM 787 CD GLN A 53 2.639 10.662 7.438 1.00 44.13 C ATOM 788 OE1 GLN A 53 3.851 10.622 7.614 1.00 11.32 O ATOM 789 NE2 GLN A 53 1.861 11.441 8.160 1.00 14.41 N ATOM 0 H GLN A 53 -0.824 10.703 4.530 1.00 45.13 H new ATOM 0 HA GLN A 53 1.261 12.429 5.748 1.00 21.43 H new ATOM 0 HB2 GLN A 53 1.554 9.778 4.271 1.00 55.33 H new ATOM 0 HB3 GLN A 53 2.893 10.814 4.723 1.00 55.33 H new ATOM 0 HG2 GLN A 53 0.964 9.545 6.701 1.00 2.43 H new ATOM 0 HG3 GLN A 53 2.522 8.871 6.265 1.00 2.43 H new ATOM 0 HE21 GLN A 53 0.855 11.454 7.992 1.00 14.41 H new ATOM 0 HE22 GLN A 53 2.264 12.031 8.888 1.00 14.41 H new ATOM 798 N PRO A 54 0.782 13.743 3.551 1.00 72.42 N ATOM 799 CA PRO A 54 0.788 14.508 2.286 1.00 33.23 C ATOM 800 C PRO A 54 2.201 14.763 1.727 1.00 30.11 C ATOM 801 O PRO A 54 2.357 15.137 0.561 1.00 3.02 O ATOM 802 CB PRO A 54 0.110 15.829 2.679 1.00 74.11 C ATOM 803 CG PRO A 54 0.401 15.985 4.134 1.00 11.34 C ATOM 804 CD PRO A 54 0.419 14.590 4.707 1.00 1.35 C ATOM 0 HA PRO A 54 0.284 13.965 1.486 1.00 33.23 H new ATOM 0 HB2 PRO A 54 0.508 16.665 2.104 1.00 74.11 H new ATOM 0 HB3 PRO A 54 -0.963 15.795 2.491 1.00 74.11 H new ATOM 0 HG2 PRO A 54 1.358 16.483 4.289 1.00 11.34 H new ATOM 0 HG3 PRO A 54 -0.359 16.597 4.620 1.00 11.34 H new ATOM 0 HD2 PRO A 54 1.145 14.498 5.515 1.00 1.35 H new ATOM 0 HD3 PRO A 54 -0.552 14.313 5.118 1.00 1.35 H new ATOM 812 N ASP A 55 3.222 14.561 2.556 1.00 42.50 N ATOM 813 CA ASP A 55 4.615 14.777 2.141 1.00 34.12 C ATOM 814 C ASP A 55 5.351 13.436 1.925 1.00 1.40 C ATOM 815 O ASP A 55 6.570 13.400 1.736 1.00 42.10 O ATOM 816 CB ASP A 55 5.330 15.634 3.201 1.00 55.42 C ATOM 817 CG ASP A 55 6.728 16.061 2.782 1.00 10.02 C ATOM 818 OD1 ASP A 55 6.869 16.673 1.703 1.00 0.42 O ATOM 819 OD2 ASP A 55 7.692 15.808 3.536 1.00 43.20 O ATOM 0 H ASP A 55 3.116 14.248 3.521 1.00 42.50 H new ATOM 0 HA ASP A 55 4.623 15.303 1.186 1.00 34.12 H new ATOM 0 HB2 ASP A 55 4.732 16.522 3.405 1.00 55.42 H new ATOM 0 HB3 ASP A 55 5.393 15.071 4.132 1.00 55.42 H new ATOM 824 N PHE A 56 4.604 12.332 1.926 1.00 72.43 N ATOM 825 CA PHE A 56 5.203 11.000 1.776 1.00 12.31 C ATOM 826 C PHE A 56 5.346 10.618 0.292 1.00 65.11 C ATOM 827 O PHE A 56 4.375 10.233 -0.361 1.00 23.41 O ATOM 828 CB PHE A 56 4.366 9.951 2.523 1.00 1.42 C ATOM 829 CG PHE A 56 5.013 8.587 2.593 1.00 72.34 C ATOM 830 CD1 PHE A 56 5.980 8.314 3.553 1.00 31.13 C ATOM 831 CD2 PHE A 56 4.656 7.580 1.707 1.00 11.20 C ATOM 832 CE1 PHE A 56 6.574 7.068 3.625 1.00 32.45 C ATOM 833 CE2 PHE A 56 5.248 6.332 1.776 1.00 21.15 C ATOM 834 CZ PHE A 56 6.209 6.076 2.736 1.00 5.45 C ATOM 0 H PHE A 56 3.589 12.330 2.028 1.00 72.43 H new ATOM 0 HA PHE A 56 6.202 11.028 2.212 1.00 12.31 H new ATOM 0 HB2 PHE A 56 4.178 10.305 3.536 1.00 1.42 H new ATOM 0 HB3 PHE A 56 3.397 9.858 2.033 1.00 1.42 H new ATOM 0 HD1 PHE A 56 6.271 9.085 4.251 1.00 31.13 H new ATOM 0 HD2 PHE A 56 3.906 7.773 0.954 1.00 11.20 H new ATOM 0 HE1 PHE A 56 7.324 6.870 4.377 1.00 32.45 H new ATOM 0 HE2 PHE A 56 4.960 5.558 1.080 1.00 21.15 H new ATOM 0 HZ PHE A 56 6.673 5.102 2.791 1.00 5.45 H new ATOM 844 N ASP A 57 6.564 10.741 -0.229 1.00 43.01 N ATOM 845 CA ASP A 57 6.858 10.409 -1.628 1.00 51.42 C ATOM 846 C ASP A 57 7.940 9.319 -1.734 1.00 24.14 C ATOM 847 O ASP A 57 8.914 9.315 -0.980 1.00 1.44 O ATOM 848 CB ASP A 57 7.284 11.667 -2.391 1.00 51.03 C ATOM 849 CG ASP A 57 7.843 11.347 -3.766 1.00 61.51 C ATOM 850 OD1 ASP A 57 7.124 10.736 -4.586 1.00 3.12 O ATOM 851 OD2 ASP A 57 9.012 11.684 -4.019 1.00 72.33 O ATOM 0 H ASP A 57 7.372 11.071 0.299 1.00 43.01 H new ATOM 0 HA ASP A 57 5.948 10.013 -2.078 1.00 51.42 H new ATOM 0 HB2 ASP A 57 6.427 12.333 -2.496 1.00 51.03 H new ATOM 0 HB3 ASP A 57 8.036 12.203 -1.812 1.00 51.03 H new ATOM 856 N SER A 58 7.764 8.412 -2.692 1.00 55.45 N ATOM 857 CA SER A 58 8.648 7.247 -2.852 1.00 75.42 C ATOM 858 C SER A 58 10.033 7.627 -3.397 1.00 54.20 C ATOM 859 O SER A 58 11.024 6.952 -3.108 1.00 11.14 O ATOM 860 CB SER A 58 7.999 6.223 -3.790 1.00 25.10 C ATOM 861 OG SER A 58 7.768 6.785 -5.074 1.00 74.15 O ATOM 0 H SER A 58 7.011 8.458 -3.378 1.00 55.45 H new ATOM 0 HA SER A 58 8.790 6.818 -1.860 1.00 75.42 H new ATOM 0 HB2 SER A 58 8.644 5.349 -3.882 1.00 25.10 H new ATOM 0 HB3 SER A 58 7.056 5.880 -3.364 1.00 25.10 H new ATOM 0 HG SER A 58 8.578 6.699 -5.619 1.00 74.15 H new ATOM 867 N ARG A 59 10.104 8.701 -4.187 1.00 70.44 N ATOM 868 CA ARG A 59 11.379 9.138 -4.778 1.00 54.41 C ATOM 869 C ARG A 59 12.382 9.518 -3.680 1.00 53.31 C ATOM 870 O ARG A 59 13.590 9.317 -3.822 1.00 44.43 O ATOM 871 CB ARG A 59 11.159 10.330 -5.718 1.00 62.42 C ATOM 872 CG ARG A 59 10.037 10.129 -6.736 1.00 54.10 C ATOM 873 CD ARG A 59 10.351 9.032 -7.747 1.00 44.31 C ATOM 874 NE ARG A 59 9.232 8.809 -8.658 1.00 35.00 N ATOM 875 CZ ARG A 59 9.334 8.746 -9.959 1.00 61.34 C ATOM 876 NH1 ARG A 59 10.486 8.842 -10.539 1.00 10.23 N ATOM 877 NH2 ARG A 59 8.271 8.566 -10.670 1.00 0.53 N ATOM 0 H ARG A 59 9.303 9.282 -4.433 1.00 70.44 H new ATOM 0 HA ARG A 59 11.786 8.307 -5.354 1.00 54.41 H new ATOM 0 HB2 ARG A 59 10.937 11.214 -5.120 1.00 62.42 H new ATOM 0 HB3 ARG A 59 12.087 10.532 -6.253 1.00 62.42 H new ATOM 0 HG2 ARG A 59 9.115 9.880 -6.210 1.00 54.10 H new ATOM 0 HG3 ARG A 59 9.860 11.065 -7.265 1.00 54.10 H new ATOM 0 HD2 ARG A 59 11.238 9.305 -8.318 1.00 44.31 H new ATOM 0 HD3 ARG A 59 10.583 8.106 -7.221 1.00 44.31 H new ATOM 0 HE ARG A 59 8.304 8.694 -8.250 1.00 35.00 H new ATOM 0 HH11 ARG A 59 11.330 8.969 -9.980 1.00 10.23 H new ATOM 0 HH12 ARG A 59 10.551 8.791 -11.556 1.00 10.23 H new ATOM 0 HH21 ARG A 59 7.363 8.474 -10.215 1.00 0.53 H new ATOM 0 HH22 ARG A 59 8.340 8.515 -11.686 1.00 0.53 H new ATOM 891 N LEU A 60 11.861 10.053 -2.578 1.00 52.12 N ATOM 892 CA LEU A 60 12.676 10.405 -1.404 1.00 30.32 C ATOM 893 C LEU A 60 13.391 9.173 -0.813 1.00 4.24 C ATOM 894 O LEU A 60 14.381 9.299 -0.089 1.00 42.44 O ATOM 895 CB LEU A 60 11.781 11.039 -0.330 1.00 2.52 C ATOM 896 CG LEU A 60 10.973 12.268 -0.780 1.00 30.13 C ATOM 897 CD1 LEU A 60 10.043 12.741 0.336 1.00 40.12 C ATOM 898 CD2 LEU A 60 11.906 13.392 -1.223 1.00 63.30 C ATOM 0 H LEU A 60 10.868 10.256 -2.468 1.00 52.12 H new ATOM 0 HA LEU A 60 13.439 11.113 -1.727 1.00 30.32 H new ATOM 0 HB2 LEU A 60 11.086 10.282 0.032 1.00 2.52 H new ATOM 0 HB3 LEU A 60 12.406 11.327 0.515 1.00 2.52 H new ATOM 0 HG LEU A 60 10.359 11.981 -1.633 1.00 30.13 H new ATOM 0 HD11 LEU A 60 9.481 13.611 -0.003 1.00 40.12 H new ATOM 0 HD12 LEU A 60 9.351 11.940 0.596 1.00 40.12 H new ATOM 0 HD13 LEU A 60 10.633 13.009 1.212 1.00 40.12 H new ATOM 0 HD21 LEU A 60 11.315 14.252 -1.538 1.00 63.30 H new ATOM 0 HD22 LEU A 60 12.551 13.679 -0.392 1.00 63.30 H new ATOM 0 HD23 LEU A 60 12.519 13.049 -2.056 1.00 63.30 H new ATOM 910 N TYR A 61 12.872 7.982 -1.117 1.00 32.34 N ATOM 911 CA TYR A 61 13.437 6.725 -0.603 1.00 23.05 C ATOM 912 C TYR A 61 14.132 5.914 -1.711 1.00 43.45 C ATOM 913 O TYR A 61 14.592 4.796 -1.480 1.00 25.42 O ATOM 914 CB TYR A 61 12.325 5.891 0.052 1.00 4.44 C ATOM 915 CG TYR A 61 11.595 6.629 1.163 1.00 33.04 C ATOM 916 CD1 TYR A 61 12.047 6.578 2.475 1.00 33.12 C ATOM 917 CD2 TYR A 61 10.463 7.391 0.893 1.00 3.44 C ATOM 918 CE1 TYR A 61 11.390 7.255 3.484 1.00 13.14 C ATOM 919 CE2 TYR A 61 9.803 8.073 1.896 1.00 12.31 C ATOM 920 CZ TYR A 61 10.270 8.004 3.189 1.00 43.22 C ATOM 921 OH TYR A 61 9.619 8.686 4.190 1.00 2.32 O ATOM 0 H TYR A 61 12.058 7.858 -1.719 1.00 32.34 H new ATOM 0 HA TYR A 61 14.195 6.974 0.140 1.00 23.05 H new ATOM 0 HB2 TYR A 61 11.606 5.594 -0.711 1.00 4.44 H new ATOM 0 HB3 TYR A 61 12.757 4.976 0.456 1.00 4.44 H new ATOM 0 HD1 TYR A 61 12.928 5.999 2.711 1.00 33.12 H new ATOM 0 HD2 TYR A 61 10.093 7.450 -0.120 1.00 3.44 H new ATOM 0 HE1 TYR A 61 11.752 7.198 4.500 1.00 13.14 H new ATOM 0 HE2 TYR A 61 8.924 8.658 1.667 1.00 12.31 H new ATOM 0 HH TYR A 61 8.686 8.390 4.234 1.00 2.32 H new ATOM 931 N GLY A 62 14.217 6.490 -2.910 1.00 55.34 N ATOM 932 CA GLY A 62 14.870 5.813 -4.030 1.00 45.54 C ATOM 933 C GLY A 62 13.961 4.828 -4.767 1.00 74.51 C ATOM 934 O GLY A 62 14.434 3.833 -5.317 1.00 23.43 O ATOM 0 H GLY A 62 13.846 7.414 -3.130 1.00 55.34 H new ATOM 0 HA2 GLY A 62 15.228 6.562 -4.737 1.00 45.54 H new ATOM 0 HA3 GLY A 62 15.745 5.279 -3.660 1.00 45.54 H new ATOM 938 N TYR A 63 12.655 5.101 -4.778 1.00 71.12 N ATOM 939 CA TYR A 63 11.684 4.250 -5.486 1.00 4.51 C ATOM 940 C TYR A 63 10.816 5.078 -6.447 1.00 63.34 C ATOM 941 O TYR A 63 10.379 6.178 -6.112 1.00 11.32 O ATOM 942 CB TYR A 63 10.795 3.507 -4.475 1.00 32.32 C ATOM 943 CG TYR A 63 11.552 2.495 -3.635 1.00 3.13 C ATOM 944 CD1 TYR A 63 12.196 2.872 -2.460 1.00 0.34 C ATOM 945 CD2 TYR A 63 11.627 1.161 -4.022 1.00 64.23 C ATOM 946 CE1 TYR A 63 12.895 1.952 -1.702 1.00 12.52 C ATOM 947 CE2 TYR A 63 12.321 0.236 -3.268 1.00 23.55 C ATOM 948 CZ TYR A 63 12.952 0.635 -2.109 1.00 52.11 C ATOM 949 OH TYR A 63 13.647 -0.287 -1.357 1.00 15.20 O ATOM 0 H TYR A 63 12.240 5.904 -4.306 1.00 71.12 H new ATOM 0 HA TYR A 63 12.240 3.521 -6.076 1.00 4.51 H new ATOM 0 HB2 TYR A 63 10.322 4.234 -3.815 1.00 32.32 H new ATOM 0 HB3 TYR A 63 9.995 2.997 -5.012 1.00 32.32 H new ATOM 0 HD1 TYR A 63 12.149 3.901 -2.135 1.00 0.34 H new ATOM 0 HD2 TYR A 63 11.133 0.843 -4.929 1.00 64.23 H new ATOM 0 HE1 TYR A 63 13.394 2.262 -0.796 1.00 12.52 H new ATOM 0 HE2 TYR A 63 12.369 -0.795 -3.585 1.00 23.55 H new ATOM 0 HH TYR A 63 13.624 -0.024 -0.413 1.00 15.20 H new ATOM 959 N LYS A 64 10.558 4.537 -7.640 1.00 11.33 N ATOM 960 CA LYS A 64 9.815 5.265 -8.679 1.00 71.15 C ATOM 961 C LYS A 64 8.350 5.513 -8.282 1.00 32.40 C ATOM 962 O LYS A 64 7.753 6.517 -8.669 1.00 42.04 O ATOM 963 CB LYS A 64 9.883 4.508 -10.012 1.00 55.22 C ATOM 964 CG LYS A 64 11.304 4.301 -10.535 1.00 33.11 C ATOM 965 CD LYS A 64 12.051 5.623 -10.685 1.00 34.13 C ATOM 966 CE LYS A 64 13.450 5.423 -11.259 1.00 5.32 C ATOM 967 NZ LYS A 64 14.187 6.707 -11.384 1.00 52.44 N ATOM 0 H LYS A 64 10.851 3.599 -7.913 1.00 11.33 H new ATOM 0 HA LYS A 64 10.290 6.240 -8.792 1.00 71.15 H new ATOM 0 HB2 LYS A 64 9.406 3.536 -9.891 1.00 55.22 H new ATOM 0 HB3 LYS A 64 9.308 5.055 -10.759 1.00 55.22 H new ATOM 0 HG2 LYS A 64 11.851 3.650 -9.853 1.00 33.11 H new ATOM 0 HG3 LYS A 64 11.266 3.793 -11.499 1.00 33.11 H new ATOM 0 HD2 LYS A 64 11.484 6.289 -11.335 1.00 34.13 H new ATOM 0 HD3 LYS A 64 12.124 6.111 -9.713 1.00 34.13 H new ATOM 0 HE2 LYS A 64 14.011 4.743 -10.618 1.00 5.32 H new ATOM 0 HE3 LYS A 64 13.376 4.950 -12.238 1.00 5.32 H new ATOM 0 HZ1 LYS A 64 15.133 6.528 -11.778 1.00 52.44 H new ATOM 0 HZ2 LYS A 64 13.665 7.347 -12.016 1.00 52.44 H new ATOM 0 HZ3 LYS A 64 14.280 7.147 -10.446 1.00 52.44 H new ATOM 981 N LYS A 65 7.772 4.596 -7.515 1.00 44.22 N ATOM 982 CA LYS A 65 6.404 4.764 -7.014 1.00 51.13 C ATOM 983 C LYS A 65 6.157 3.928 -5.752 1.00 72.33 C ATOM 984 O LYS A 65 6.928 3.019 -5.431 1.00 21.15 O ATOM 985 CB LYS A 65 5.378 4.403 -8.098 1.00 35.40 C ATOM 986 CG LYS A 65 5.540 2.995 -8.665 1.00 60.21 C ATOM 987 CD LYS A 65 4.446 2.657 -9.675 1.00 33.02 C ATOM 988 CE LYS A 65 4.359 3.687 -10.801 1.00 4.53 C ATOM 989 NZ LYS A 65 5.672 3.911 -11.464 1.00 30.53 N ATOM 0 H LYS A 65 8.224 3.729 -7.224 1.00 44.22 H new ATOM 0 HA LYS A 65 6.282 5.815 -6.750 1.00 51.13 H new ATOM 0 HB2 LYS A 65 4.375 4.502 -7.682 1.00 35.40 H new ATOM 0 HB3 LYS A 65 5.458 5.123 -8.913 1.00 35.40 H new ATOM 0 HG2 LYS A 65 6.515 2.907 -9.144 1.00 60.21 H new ATOM 0 HG3 LYS A 65 5.518 2.271 -7.850 1.00 60.21 H new ATOM 0 HD2 LYS A 65 4.639 1.672 -10.100 1.00 33.02 H new ATOM 0 HD3 LYS A 65 3.486 2.600 -9.162 1.00 33.02 H new ATOM 0 HE2 LYS A 65 3.633 3.352 -11.542 1.00 4.53 H new ATOM 0 HE3 LYS A 65 3.992 4.631 -10.399 1.00 4.53 H new ATOM 0 HZ1 LYS A 65 5.535 4.483 -12.322 1.00 30.53 H new ATOM 0 HZ2 LYS A 65 6.309 4.412 -10.812 1.00 30.53 H new ATOM 0 HZ3 LYS A 65 6.091 2.995 -11.722 1.00 30.53 H new ATOM 1003 N LEU A 66 5.071 4.243 -5.047 1.00 3.52 N ATOM 1004 CA LEU A 66 4.715 3.560 -3.794 1.00 72.20 C ATOM 1005 C LEU A 66 4.620 2.038 -3.985 1.00 61.14 C ATOM 1006 O LEU A 66 5.017 1.268 -3.111 1.00 62.21 O ATOM 1007 CB LEU A 66 3.380 4.113 -3.269 1.00 21.21 C ATOM 1008 CG LEU A 66 2.910 3.552 -1.916 1.00 43.11 C ATOM 1009 CD1 LEU A 66 3.920 3.872 -0.817 1.00 65.03 C ATOM 1010 CD2 LEU A 66 1.527 4.097 -1.560 1.00 3.43 C ATOM 0 H LEU A 66 4.414 4.973 -5.322 1.00 3.52 H new ATOM 0 HA LEU A 66 5.504 3.751 -3.066 1.00 72.20 H new ATOM 0 HB2 LEU A 66 3.466 5.196 -3.182 1.00 21.21 H new ATOM 0 HB3 LEU A 66 2.608 3.913 -4.012 1.00 21.21 H new ATOM 0 HG LEU A 66 2.837 2.468 -2.001 1.00 43.11 H new ATOM 0 HD11 LEU A 66 3.567 3.466 0.131 1.00 65.03 H new ATOM 0 HD12 LEU A 66 4.883 3.426 -1.067 1.00 65.03 H new ATOM 0 HD13 LEU A 66 4.032 4.953 -0.729 1.00 65.03 H new ATOM 0 HD21 LEU A 66 1.211 3.689 -0.600 1.00 3.43 H new ATOM 0 HD22 LEU A 66 1.570 5.184 -1.496 1.00 3.43 H new ATOM 0 HD23 LEU A 66 0.812 3.807 -2.330 1.00 3.43 H new ATOM 1022 N SER A 67 4.112 1.622 -5.143 1.00 53.23 N ATOM 1023 CA SER A 67 3.958 0.196 -5.479 1.00 72.31 C ATOM 1024 C SER A 67 5.253 -0.595 -5.230 1.00 44.22 C ATOM 1025 O SER A 67 5.240 -1.655 -4.600 1.00 50.03 O ATOM 1026 CB SER A 67 3.553 0.040 -6.954 1.00 33.44 C ATOM 1027 OG SER A 67 2.450 0.872 -7.289 1.00 34.33 O ATOM 0 H SER A 67 3.795 2.256 -5.877 1.00 53.23 H new ATOM 0 HA SER A 67 3.179 -0.205 -4.830 1.00 72.31 H new ATOM 0 HB2 SER A 67 4.402 0.287 -7.592 1.00 33.44 H new ATOM 0 HB3 SER A 67 3.297 -1.001 -7.153 1.00 33.44 H new ATOM 0 HG SER A 67 2.222 0.748 -8.234 1.00 34.33 H new ATOM 1033 N ASP A 68 6.372 -0.061 -5.723 1.00 53.33 N ATOM 1034 CA ASP A 68 7.669 -0.738 -5.624 1.00 73.31 C ATOM 1035 C ASP A 68 8.263 -0.613 -4.205 1.00 21.41 C ATOM 1036 O ASP A 68 9.039 -1.466 -3.765 1.00 32.03 O ATOM 1037 CB ASP A 68 8.624 -0.158 -6.674 1.00 61.42 C ATOM 1038 CG ASP A 68 9.918 -0.945 -6.803 1.00 41.10 C ATOM 1039 OD1 ASP A 68 9.853 -2.179 -6.985 1.00 13.21 O ATOM 1040 OD2 ASP A 68 11.002 -0.332 -6.752 1.00 32.42 O ATOM 0 H ASP A 68 6.407 0.842 -6.197 1.00 53.33 H new ATOM 0 HA ASP A 68 7.527 -1.801 -5.817 1.00 73.31 H new ATOM 0 HB2 ASP A 68 8.121 -0.136 -7.641 1.00 61.42 H new ATOM 0 HB3 ASP A 68 8.858 0.874 -6.413 1.00 61.42 H new ATOM 1045 N LEU A 69 7.879 0.448 -3.492 1.00 24.24 N ATOM 1046 CA LEU A 69 8.324 0.662 -2.107 1.00 61.23 C ATOM 1047 C LEU A 69 7.668 -0.343 -1.143 1.00 64.51 C ATOM 1048 O LEU A 69 8.349 -0.992 -0.347 1.00 44.11 O ATOM 1049 CB LEU A 69 8.002 2.098 -1.657 1.00 34.15 C ATOM 1050 CG LEU A 69 8.312 2.416 -0.181 1.00 72.23 C ATOM 1051 CD1 LEU A 69 9.804 2.277 0.109 1.00 70.25 C ATOM 1052 CD2 LEU A 69 7.818 3.814 0.182 1.00 4.33 C ATOM 0 H LEU A 69 7.260 1.176 -3.849 1.00 24.24 H new ATOM 0 HA LEU A 69 9.403 0.507 -2.080 1.00 61.23 H new ATOM 0 HB2 LEU A 69 8.562 2.791 -2.285 1.00 34.15 H new ATOM 0 HB3 LEU A 69 6.944 2.288 -1.837 1.00 34.15 H new ATOM 0 HG LEU A 69 7.782 1.693 0.439 1.00 72.23 H new ATOM 0 HD11 LEU A 69 9.994 2.507 1.157 1.00 70.25 H new ATOM 0 HD12 LEU A 69 10.122 1.256 -0.102 1.00 70.25 H new ATOM 0 HD13 LEU A 69 10.363 2.969 -0.521 1.00 70.25 H new ATOM 0 HD21 LEU A 69 8.046 4.020 1.228 1.00 4.33 H new ATOM 0 HD22 LEU A 69 8.314 4.551 -0.450 1.00 4.33 H new ATOM 0 HD23 LEU A 69 6.741 3.871 0.027 1.00 4.33 H new ATOM 1064 N VAL A 70 6.345 -0.464 -1.225 1.00 70.51 N ATOM 1065 CA VAL A 70 5.586 -1.368 -0.351 1.00 72.41 C ATOM 1066 C VAL A 70 6.110 -2.814 -0.436 1.00 51.30 C ATOM 1067 O VAL A 70 6.435 -3.431 0.580 1.00 24.11 O ATOM 1068 CB VAL A 70 4.071 -1.340 -0.694 1.00 72.00 C ATOM 1069 CG1 VAL A 70 3.287 -2.270 0.225 1.00 3.35 C ATOM 1070 CG2 VAL A 70 3.524 0.084 -0.607 1.00 31.40 C ATOM 0 H VAL A 70 5.770 0.054 -1.890 1.00 70.51 H new ATOM 0 HA VAL A 70 5.724 -1.010 0.669 1.00 72.41 H new ATOM 0 HB VAL A 70 3.951 -1.693 -1.718 1.00 72.00 H new ATOM 0 HG11 VAL A 70 2.229 -2.232 -0.036 1.00 3.35 H new ATOM 0 HG12 VAL A 70 3.653 -3.290 0.109 1.00 3.35 H new ATOM 0 HG13 VAL A 70 3.417 -1.954 1.260 1.00 3.35 H new ATOM 0 HG21 VAL A 70 2.462 0.081 -0.851 1.00 31.40 H new ATOM 0 HG22 VAL A 70 3.663 0.466 0.404 1.00 31.40 H new ATOM 0 HG23 VAL A 70 4.056 0.722 -1.312 1.00 31.40 H new ATOM 1080 N LYS A 71 6.215 -3.335 -1.657 1.00 70.23 N ATOM 1081 CA LYS A 71 6.717 -4.699 -1.882 1.00 4.33 C ATOM 1082 C LYS A 71 8.191 -4.844 -1.461 1.00 21.25 C ATOM 1083 O LYS A 71 8.679 -5.955 -1.234 1.00 32.44 O ATOM 1084 CB LYS A 71 6.540 -5.091 -3.356 1.00 32.54 C ATOM 1085 CG LYS A 71 7.311 -4.204 -4.329 1.00 74.14 C ATOM 1086 CD LYS A 71 7.068 -4.602 -5.786 1.00 1.42 C ATOM 1087 CE LYS A 71 7.524 -6.029 -6.077 1.00 70.02 C ATOM 1088 NZ LYS A 71 7.417 -6.362 -7.522 1.00 51.03 N ATOM 0 H LYS A 71 5.960 -2.837 -2.510 1.00 70.23 H new ATOM 0 HA LYS A 71 6.132 -5.375 -1.258 1.00 4.33 H new ATOM 0 HB2 LYS A 71 6.862 -6.124 -3.488 1.00 32.54 H new ATOM 0 HB3 LYS A 71 5.480 -5.053 -3.607 1.00 32.54 H new ATOM 0 HG2 LYS A 71 7.016 -3.165 -4.183 1.00 74.14 H new ATOM 0 HG3 LYS A 71 8.377 -4.267 -4.109 1.00 74.14 H new ATOM 0 HD2 LYS A 71 6.006 -4.508 -6.014 1.00 1.42 H new ATOM 0 HD3 LYS A 71 7.598 -3.912 -6.443 1.00 1.42 H new ATOM 0 HE2 LYS A 71 8.557 -6.153 -5.751 1.00 70.02 H new ATOM 0 HE3 LYS A 71 6.921 -6.728 -5.498 1.00 70.02 H new ATOM 0 HZ1 LYS A 71 7.736 -7.340 -7.678 1.00 51.03 H new ATOM 0 HZ2 LYS A 71 6.427 -6.268 -7.828 1.00 51.03 H new ATOM 0 HZ3 LYS A 71 8.013 -5.712 -8.073 1.00 51.03 H new ATOM 1102 N ALA A 72 8.903 -3.721 -1.380 1.00 53.13 N ATOM 1103 CA ALA A 72 10.299 -3.713 -0.935 1.00 14.31 C ATOM 1104 C ALA A 72 10.410 -3.705 0.598 1.00 24.32 C ATOM 1105 O ALA A 72 11.468 -4.005 1.162 1.00 61.32 O ATOM 1106 CB ALA A 72 11.029 -2.513 -1.518 1.00 35.43 C ATOM 0 H ALA A 72 8.535 -2.800 -1.618 1.00 53.13 H new ATOM 0 HA ALA A 72 10.765 -4.630 -1.296 1.00 14.31 H new ATOM 0 HB1 ALA A 72 12.065 -2.518 -1.180 1.00 35.43 H new ATOM 0 HB2 ALA A 72 11.002 -2.564 -2.606 1.00 35.43 H new ATOM 0 HB3 ALA A 72 10.544 -1.595 -1.186 1.00 35.43 H new ATOM 1112 N ARG A 73 9.322 -3.343 1.277 1.00 63.01 N ATOM 1113 CA ARG A 73 9.295 -3.351 2.742 1.00 50.20 C ATOM 1114 C ARG A 73 8.333 -4.419 3.276 1.00 60.23 C ATOM 1115 O ARG A 73 7.449 -4.130 4.082 1.00 64.02 O ATOM 1116 CB ARG A 73 8.921 -1.963 3.293 1.00 54.01 C ATOM 1117 CG ARG A 73 9.878 -0.847 2.869 1.00 31.13 C ATOM 1118 CD ARG A 73 11.343 -1.214 3.123 1.00 4.23 C ATOM 1119 NE ARG A 73 11.605 -1.572 4.521 1.00 14.03 N ATOM 1120 CZ ARG A 73 12.061 -2.735 4.915 1.00 52.20 C ATOM 1121 NH1 ARG A 73 12.255 -3.694 4.061 1.00 4.22 N ATOM 1122 NH2 ARG A 73 12.309 -2.936 6.169 1.00 74.13 N ATOM 0 H ARG A 73 8.451 -3.042 0.840 1.00 63.01 H new ATOM 0 HA ARG A 73 10.298 -3.599 3.088 1.00 50.20 H new ATOM 0 HB2 ARG A 73 7.914 -1.710 2.960 1.00 54.01 H new ATOM 0 HB3 ARG A 73 8.894 -2.011 4.382 1.00 54.01 H new ATOM 0 HG2 ARG A 73 9.737 -0.633 1.810 1.00 31.13 H new ATOM 0 HG3 ARG A 73 9.634 0.065 3.414 1.00 31.13 H new ATOM 0 HD2 ARG A 73 11.620 -2.050 2.481 1.00 4.23 H new ATOM 0 HD3 ARG A 73 11.977 -0.373 2.843 1.00 4.23 H new ATOM 0 HE ARG A 73 11.420 -0.867 5.235 1.00 14.03 H new ATOM 0 HH11 ARG A 73 12.052 -3.545 3.073 1.00 4.22 H new ATOM 0 HH12 ARG A 73 12.610 -4.596 4.379 1.00 4.22 H new ATOM 0 HH21 ARG A 73 12.149 -2.190 6.846 1.00 74.13 H new ATOM 0 HH22 ARG A 73 12.664 -3.840 6.480 1.00 74.13 H new ATOM 1136 N THR A 74 8.539 -5.661 2.836 1.00 42.02 N ATOM 1137 CA THR A 74 7.728 -6.807 3.279 1.00 35.10 C ATOM 1138 C THR A 74 7.730 -6.960 4.808 1.00 33.00 C ATOM 1139 O THR A 74 6.795 -7.508 5.393 1.00 30.10 O ATOM 1140 CB THR A 74 8.242 -8.128 2.660 1.00 53.24 C ATOM 1141 OG1 THR A 74 9.628 -8.318 2.998 1.00 21.02 O ATOM 1142 CG2 THR A 74 8.083 -8.124 1.144 1.00 3.12 C ATOM 0 H THR A 74 9.268 -5.905 2.166 1.00 42.02 H new ATOM 0 HA THR A 74 6.711 -6.606 2.941 1.00 35.10 H new ATOM 0 HB THR A 74 7.647 -8.946 3.066 1.00 53.24 H new ATOM 0 HG1 THR A 74 9.948 -9.157 2.605 1.00 21.02 H new ATOM 0 HG21 THR A 74 8.453 -9.065 0.737 1.00 3.12 H new ATOM 0 HG22 THR A 74 7.030 -8.007 0.889 1.00 3.12 H new ATOM 0 HG23 THR A 74 8.653 -7.297 0.721 1.00 3.12 H new ATOM 1150 N ASP A 75 8.796 -6.484 5.443 1.00 15.25 N ATOM 1151 CA ASP A 75 8.901 -6.488 6.902 1.00 3.41 C ATOM 1152 C ASP A 75 7.774 -5.655 7.544 1.00 24.51 C ATOM 1153 O ASP A 75 7.246 -6.003 8.601 1.00 54.23 O ATOM 1154 CB ASP A 75 10.269 -5.936 7.319 1.00 3.23 C ATOM 1155 CG ASP A 75 10.461 -5.945 8.825 1.00 35.44 C ATOM 1156 OD1 ASP A 75 10.602 -7.044 9.401 1.00 14.31 O ATOM 1157 OD2 ASP A 75 10.469 -4.856 9.437 1.00 32.05 O ATOM 0 H ASP A 75 9.607 -6.087 4.968 1.00 15.25 H new ATOM 0 HA ASP A 75 8.799 -7.515 7.253 1.00 3.41 H new ATOM 0 HB2 ASP A 75 11.055 -6.529 6.852 1.00 3.23 H new ATOM 0 HB3 ASP A 75 10.375 -4.917 6.948 1.00 3.23 H new ATOM 1162 N LEU A 76 7.405 -4.558 6.884 1.00 12.41 N ATOM 1163 CA LEU A 76 6.371 -3.649 7.393 1.00 62.03 C ATOM 1164 C LEU A 76 5.002 -3.930 6.755 1.00 30.21 C ATOM 1165 O LEU A 76 3.964 -3.817 7.410 1.00 61.31 O ATOM 1166 CB LEU A 76 6.765 -2.189 7.113 1.00 40.00 C ATOM 1167 CG LEU A 76 8.101 -1.734 7.718 1.00 41.34 C ATOM 1168 CD1 LEU A 76 8.394 -0.284 7.336 1.00 34.52 C ATOM 1169 CD2 LEU A 76 8.094 -1.906 9.236 1.00 45.34 C ATOM 0 H LEU A 76 7.807 -4.274 5.991 1.00 12.41 H new ATOM 0 HA LEU A 76 6.292 -3.816 8.467 1.00 62.03 H new ATOM 0 HB2 LEU A 76 6.807 -2.044 6.034 1.00 40.00 H new ATOM 0 HB3 LEU A 76 5.976 -1.540 7.491 1.00 40.00 H new ATOM 0 HG LEU A 76 8.894 -2.362 7.312 1.00 41.34 H new ATOM 0 HD11 LEU A 76 9.344 0.022 7.773 1.00 34.52 H new ATOM 0 HD12 LEU A 76 8.449 -0.198 6.251 1.00 34.52 H new ATOM 0 HD13 LEU A 76 7.598 0.359 7.711 1.00 34.52 H new ATOM 0 HD21 LEU A 76 9.050 -1.578 9.644 1.00 45.34 H new ATOM 0 HD22 LEU A 76 7.291 -1.307 9.666 1.00 45.34 H new ATOM 0 HD23 LEU A 76 7.936 -2.956 9.482 1.00 45.34 H new ATOM 1181 N PHE A 77 5.009 -4.291 5.473 1.00 14.21 N ATOM 1182 CA PHE A 77 3.772 -4.437 4.695 1.00 3.45 C ATOM 1183 C PHE A 77 3.669 -5.836 4.066 1.00 40.35 C ATOM 1184 O PHE A 77 4.639 -6.348 3.508 1.00 74.14 O ATOM 1185 CB PHE A 77 3.726 -3.372 3.586 1.00 40.24 C ATOM 1186 CG PHE A 77 4.028 -1.972 4.067 1.00 53.44 C ATOM 1187 CD1 PHE A 77 3.348 -1.429 5.149 1.00 72.04 C ATOM 1188 CD2 PHE A 77 5.005 -1.205 3.445 1.00 35.01 C ATOM 1189 CE1 PHE A 77 3.640 -0.155 5.598 1.00 44.55 C ATOM 1190 CE2 PHE A 77 5.296 0.070 3.887 1.00 31.00 C ATOM 1191 CZ PHE A 77 4.615 0.594 4.966 1.00 72.24 C ATOM 0 H PHE A 77 5.859 -4.489 4.946 1.00 14.21 H new ATOM 0 HA PHE A 77 2.929 -4.303 5.374 1.00 3.45 H new ATOM 0 HB2 PHE A 77 4.441 -3.640 2.809 1.00 40.24 H new ATOM 0 HB3 PHE A 77 2.737 -3.382 3.127 1.00 40.24 H new ATOM 0 HD1 PHE A 77 2.583 -2.008 5.645 1.00 72.04 H new ATOM 0 HD2 PHE A 77 5.545 -1.612 2.603 1.00 35.01 H new ATOM 0 HE1 PHE A 77 3.107 0.255 6.443 1.00 44.55 H new ATOM 0 HE2 PHE A 77 6.055 0.656 3.389 1.00 31.00 H new ATOM 0 HZ PHE A 77 4.844 1.589 5.317 1.00 72.24 H new ATOM 1201 N VAL A 78 2.491 -6.449 4.152 1.00 51.24 N ATOM 1202 CA VAL A 78 2.252 -7.754 3.522 1.00 5.32 C ATOM 1203 C VAL A 78 1.649 -7.571 2.121 1.00 1.42 C ATOM 1204 O VAL A 78 0.532 -7.063 1.978 1.00 71.21 O ATOM 1205 CB VAL A 78 1.306 -8.637 4.375 1.00 32.04 C ATOM 1206 CG1 VAL A 78 1.130 -10.021 3.746 1.00 63.04 C ATOM 1207 CG2 VAL A 78 1.820 -8.750 5.809 1.00 72.13 C ATOM 0 H VAL A 78 1.686 -6.068 4.649 1.00 51.24 H new ATOM 0 HA VAL A 78 3.216 -8.257 3.445 1.00 5.32 H new ATOM 0 HB VAL A 78 0.328 -8.157 4.402 1.00 32.04 H new ATOM 0 HG11 VAL A 78 0.462 -10.620 4.365 1.00 63.04 H new ATOM 0 HG12 VAL A 78 0.704 -9.916 2.748 1.00 63.04 H new ATOM 0 HG13 VAL A 78 2.099 -10.515 3.676 1.00 63.04 H new ATOM 0 HG21 VAL A 78 1.141 -9.374 6.391 1.00 72.13 H new ATOM 0 HG22 VAL A 78 2.813 -9.200 5.805 1.00 72.13 H new ATOM 0 HG23 VAL A 78 1.873 -7.757 6.256 1.00 72.13 H new ATOM 1217 N THR A 79 2.388 -7.984 1.092 1.00 21.51 N ATOM 1218 CA THR A 79 1.969 -7.763 -0.301 1.00 44.24 C ATOM 1219 C THR A 79 1.750 -9.079 -1.055 1.00 72.32 C ATOM 1220 O THR A 79 2.611 -9.961 -1.046 1.00 60.10 O ATOM 1221 CB THR A 79 3.017 -6.932 -1.090 1.00 35.24 C ATOM 1222 OG1 THR A 79 4.176 -7.726 -1.408 1.00 11.41 O ATOM 1223 CG2 THR A 79 3.456 -5.711 -0.292 1.00 33.51 C ATOM 0 H THR A 79 3.278 -8.472 1.191 1.00 21.51 H new ATOM 0 HA THR A 79 1.028 -7.217 -0.239 1.00 44.24 H new ATOM 0 HB THR A 79 2.540 -6.607 -2.015 1.00 35.24 H new ATOM 0 HG1 THR A 79 3.975 -8.673 -1.257 1.00 11.41 H new ATOM 0 HG21 THR A 79 4.190 -5.146 -0.866 1.00 33.51 H new ATOM 0 HG22 THR A 79 2.591 -5.080 -0.087 1.00 33.51 H new ATOM 0 HG23 THR A 79 3.901 -6.033 0.649 1.00 33.51 H new ATOM 1231 N GLU A 80 0.601 -9.199 -1.716 1.00 44.12 N ATOM 1232 CA GLU A 80 0.311 -10.353 -2.578 1.00 62.33 C ATOM 1233 C GLU A 80 -0.521 -9.932 -3.798 1.00 11.12 C ATOM 1234 O GLU A 80 -1.427 -9.100 -3.691 1.00 35.33 O ATOM 1235 CB GLU A 80 -0.430 -11.458 -1.802 1.00 33.30 C ATOM 1236 CG GLU A 80 0.420 -12.171 -0.749 1.00 62.40 C ATOM 1237 CD GLU A 80 -0.263 -13.406 -0.182 1.00 11.54 C ATOM 1238 OE1 GLU A 80 -0.291 -14.445 -0.879 1.00 10.32 O ATOM 1239 OE2 GLU A 80 -0.771 -13.351 0.957 1.00 2.42 O ATOM 0 H GLU A 80 -0.150 -8.510 -1.674 1.00 44.12 H new ATOM 0 HA GLU A 80 1.267 -10.749 -2.921 1.00 62.33 H new ATOM 0 HB2 GLU A 80 -1.300 -11.020 -1.313 1.00 33.30 H new ATOM 0 HB3 GLU A 80 -0.802 -12.197 -2.512 1.00 33.30 H new ATOM 0 HG2 GLU A 80 1.373 -12.459 -1.192 1.00 62.40 H new ATOM 0 HG3 GLU A 80 0.642 -11.478 0.063 1.00 62.40 H new ATOM 1246 N GLU A 81 -0.215 -10.510 -4.955 1.00 71.12 N ATOM 1247 CA GLU A 81 -0.973 -10.230 -6.177 1.00 73.01 C ATOM 1248 C GLU A 81 -2.170 -11.176 -6.284 1.00 53.31 C ATOM 1249 O GLU A 81 -2.013 -12.389 -6.425 1.00 24.25 O ATOM 1250 CB GLU A 81 -0.076 -10.353 -7.413 1.00 5.13 C ATOM 1251 CG GLU A 81 1.035 -9.308 -7.465 1.00 61.35 C ATOM 1252 CD GLU A 81 1.869 -9.402 -8.730 1.00 4.24 C ATOM 1253 OE1 GLU A 81 2.843 -10.183 -8.747 1.00 75.32 O ATOM 1254 OE2 GLU A 81 1.548 -8.709 -9.717 1.00 55.32 O ATOM 0 H GLU A 81 0.550 -11.174 -5.076 1.00 71.12 H new ATOM 0 HA GLU A 81 -1.342 -9.205 -6.128 1.00 73.01 H new ATOM 0 HB2 GLU A 81 0.370 -11.347 -7.431 1.00 5.13 H new ATOM 0 HB3 GLU A 81 -0.691 -10.263 -8.309 1.00 5.13 H new ATOM 0 HG2 GLU A 81 0.596 -8.313 -7.398 1.00 61.35 H new ATOM 0 HG3 GLU A 81 1.683 -9.430 -6.597 1.00 61.35 H new ATOM 1261 N ARG A 82 -3.364 -10.603 -6.223 1.00 4.42 N ATOM 1262 CA ARG A 82 -4.596 -11.380 -6.107 1.00 54.12 C ATOM 1263 C ARG A 82 -5.481 -11.171 -7.340 1.00 52.43 C ATOM 1264 O ARG A 82 -5.755 -10.037 -7.731 1.00 13.00 O ATOM 1265 CB ARG A 82 -5.346 -10.934 -4.841 1.00 34.31 C ATOM 1266 CG ARG A 82 -4.460 -10.877 -3.593 1.00 72.24 C ATOM 1267 CD ARG A 82 -4.037 -12.261 -3.118 1.00 12.42 C ATOM 1268 NE ARG A 82 -5.143 -12.975 -2.490 1.00 12.14 N ATOM 1269 CZ ARG A 82 -5.264 -14.272 -2.457 1.00 25.31 C ATOM 1270 NH1 ARG A 82 -4.372 -15.042 -3.003 1.00 61.33 N ATOM 1271 NH2 ARG A 82 -6.279 -14.795 -1.859 1.00 30.41 N ATOM 0 H ARG A 82 -3.509 -9.594 -6.252 1.00 4.42 H new ATOM 0 HA ARG A 82 -4.350 -12.440 -6.040 1.00 54.12 H new ATOM 0 HB2 ARG A 82 -5.780 -9.949 -5.014 1.00 34.31 H new ATOM 0 HB3 ARG A 82 -6.173 -11.620 -4.658 1.00 34.31 H new ATOM 0 HG2 ARG A 82 -3.572 -10.282 -3.808 1.00 72.24 H new ATOM 0 HG3 ARG A 82 -4.997 -10.369 -2.792 1.00 72.24 H new ATOM 0 HD2 ARG A 82 -3.664 -12.838 -3.964 1.00 12.42 H new ATOM 0 HD3 ARG A 82 -3.214 -12.167 -2.409 1.00 12.42 H new ATOM 0 HE ARG A 82 -5.874 -12.420 -2.045 1.00 12.14 H new ATOM 0 HH11 ARG A 82 -3.561 -14.633 -3.467 1.00 61.33 H new ATOM 0 HH12 ARG A 82 -4.483 -16.055 -2.968 1.00 61.33 H new ATOM 0 HH21 ARG A 82 -6.976 -14.195 -1.418 1.00 30.41 H new ATOM 0 HH22 ARG A 82 -6.385 -15.809 -1.826 1.00 30.41 H new ATOM 1285 N GLN A 83 -5.933 -12.262 -7.953 1.00 55.13 N ATOM 1286 CA GLN A 83 -6.792 -12.165 -9.135 1.00 3.32 C ATOM 1287 C GLN A 83 -8.231 -11.845 -8.716 1.00 23.42 C ATOM 1288 O GLN A 83 -8.809 -12.519 -7.859 1.00 51.12 O ATOM 1289 CB GLN A 83 -6.740 -13.462 -9.959 1.00 33.22 C ATOM 1290 CG GLN A 83 -7.495 -13.376 -11.285 1.00 0.13 C ATOM 1291 CD GLN A 83 -7.301 -14.604 -12.160 1.00 30.44 C ATOM 1292 OE1 GLN A 83 -7.098 -15.708 -11.669 1.00 61.23 O ATOM 1293 NE2 GLN A 83 -7.342 -14.418 -13.464 1.00 60.35 N ATOM 0 H GLN A 83 -5.723 -13.215 -7.657 1.00 55.13 H new ATOM 0 HA GLN A 83 -6.424 -11.355 -9.764 1.00 3.32 H new ATOM 0 HB2 GLN A 83 -5.699 -13.714 -10.159 1.00 33.22 H new ATOM 0 HB3 GLN A 83 -7.156 -14.276 -9.366 1.00 33.22 H new ATOM 0 HG2 GLN A 83 -8.558 -13.245 -11.084 1.00 0.13 H new ATOM 0 HG3 GLN A 83 -7.162 -12.492 -11.830 1.00 0.13 H new ATOM 0 HE21 GLN A 83 -7.513 -13.486 -13.841 1.00 60.35 H new ATOM 0 HE22 GLN A 83 -7.203 -15.206 -14.096 1.00 60.35 H new ATOM 1302 N VAL A 84 -8.804 -10.817 -9.330 1.00 4.35 N ATOM 1303 CA VAL A 84 -10.092 -10.271 -8.896 1.00 23.20 C ATOM 1304 C VAL A 84 -11.278 -10.975 -9.581 1.00 72.11 C ATOM 1305 O VAL A 84 -11.325 -11.073 -10.807 1.00 54.02 O ATOM 1306 CB VAL A 84 -10.163 -8.751 -9.191 1.00 4.32 C ATOM 1307 CG1 VAL A 84 -11.456 -8.146 -8.655 1.00 43.23 C ATOM 1308 CG2 VAL A 84 -8.944 -8.030 -8.613 1.00 42.32 C ATOM 0 H VAL A 84 -8.397 -10.340 -10.135 1.00 4.35 H new ATOM 0 HA VAL A 84 -10.165 -10.445 -7.822 1.00 23.20 H new ATOM 0 HB VAL A 84 -10.157 -8.619 -10.273 1.00 4.32 H new ATOM 0 HG11 VAL A 84 -11.478 -7.079 -8.877 1.00 43.23 H new ATOM 0 HG12 VAL A 84 -12.309 -8.632 -9.128 1.00 43.23 H new ATOM 0 HG13 VAL A 84 -11.507 -8.294 -7.576 1.00 43.23 H new ATOM 0 HG21 VAL A 84 -9.014 -6.964 -8.831 1.00 42.32 H new ATOM 0 HG22 VAL A 84 -8.912 -8.178 -7.534 1.00 42.32 H new ATOM 0 HG23 VAL A 84 -8.036 -8.433 -9.062 1.00 42.32 H new ATOM 1318 N PRO A 85 -12.259 -11.469 -8.789 1.00 11.33 N ATOM 1319 CA PRO A 85 -13.466 -12.131 -9.323 1.00 54.32 C ATOM 1320 C PRO A 85 -14.227 -11.250 -10.331 1.00 13.33 C ATOM 1321 O PRO A 85 -14.630 -10.127 -10.018 1.00 11.23 O ATOM 1322 CB PRO A 85 -14.322 -12.400 -8.068 1.00 53.52 C ATOM 1323 CG PRO A 85 -13.735 -11.541 -6.996 1.00 73.21 C ATOM 1324 CD PRO A 85 -12.272 -11.431 -7.316 1.00 61.44 C ATOM 0 HA PRO A 85 -13.219 -13.035 -9.879 1.00 54.32 H new ATOM 0 HB2 PRO A 85 -15.368 -12.148 -8.244 1.00 53.52 H new ATOM 0 HB3 PRO A 85 -14.290 -13.453 -7.789 1.00 53.52 H new ATOM 0 HG2 PRO A 85 -14.207 -10.559 -6.980 1.00 73.21 H new ATOM 0 HG3 PRO A 85 -13.888 -11.984 -6.012 1.00 73.21 H new ATOM 0 HD2 PRO A 85 -11.842 -10.507 -6.931 1.00 61.44 H new ATOM 0 HD3 PRO A 85 -11.700 -12.253 -6.885 1.00 61.44 H new ATOM 1332 N GLY A 86 -14.408 -11.766 -11.546 1.00 11.53 N ATOM 1333 CA GLY A 86 -15.048 -10.995 -12.611 1.00 14.13 C ATOM 1334 C GLY A 86 -14.034 -10.330 -13.537 1.00 42.02 C ATOM 1335 O GLY A 86 -14.383 -9.837 -14.613 1.00 5.21 O ATOM 0 H GLY A 86 -14.123 -12.707 -11.816 1.00 11.53 H new ATOM 0 HA2 GLY A 86 -15.693 -11.652 -13.195 1.00 14.13 H new ATOM 0 HA3 GLY A 86 -15.688 -10.231 -12.169 1.00 14.13 H new ATOM 1339 N SER A 87 -12.773 -10.319 -13.115 1.00 11.44 N ATOM 1340 CA SER A 87 -11.678 -9.734 -13.903 1.00 31.13 C ATOM 1341 C SER A 87 -10.624 -10.796 -14.239 1.00 54.22 C ATOM 1342 O SER A 87 -10.286 -11.636 -13.401 1.00 73.31 O ATOM 1343 CB SER A 87 -11.017 -8.580 -13.133 1.00 73.34 C ATOM 1344 OG SER A 87 -11.942 -7.533 -12.863 1.00 1.40 O ATOM 0 H SER A 87 -12.476 -10.712 -12.222 1.00 11.44 H new ATOM 0 HA SER A 87 -12.101 -9.349 -14.831 1.00 31.13 H new ATOM 0 HB2 SER A 87 -10.607 -8.955 -12.195 1.00 73.34 H new ATOM 0 HB3 SER A 87 -10.181 -8.187 -13.712 1.00 73.34 H new ATOM 0 HG SER A 87 -11.490 -6.816 -12.371 1.00 1.40 H new ATOM 1350 N THR A 88 -10.108 -10.764 -15.466 1.00 20.02 N ATOM 1351 CA THR A 88 -9.052 -11.700 -15.878 1.00 31.12 C ATOM 1352 C THR A 88 -7.681 -11.243 -15.369 1.00 23.55 C ATOM 1353 O THR A 88 -6.759 -12.046 -15.211 1.00 12.34 O ATOM 1354 CB THR A 88 -8.993 -11.873 -17.419 1.00 0.44 C ATOM 1355 OG1 THR A 88 -8.009 -12.864 -17.762 1.00 71.41 O ATOM 1356 CG2 THR A 88 -8.659 -10.556 -18.122 1.00 4.03 C ATOM 0 H THR A 88 -10.398 -10.107 -16.191 1.00 20.02 H new ATOM 0 HA THR A 88 -9.303 -12.663 -15.433 1.00 31.12 H new ATOM 0 HB THR A 88 -9.978 -12.196 -17.755 1.00 0.44 H new ATOM 0 HG1 THR A 88 -7.977 -12.970 -18.736 1.00 71.41 H new ATOM 0 HG21 THR A 88 -8.626 -10.717 -19.200 1.00 4.03 H new ATOM 0 HG22 THR A 88 -9.423 -9.815 -17.889 1.00 4.03 H new ATOM 0 HG23 THR A 88 -7.689 -10.197 -17.779 1.00 4.03 H new ATOM 1364 N GLN A 89 -7.555 -9.942 -15.113 1.00 51.45 N ATOM 1365 CA GLN A 89 -6.308 -9.366 -14.593 1.00 41.32 C ATOM 1366 C GLN A 89 -6.212 -9.515 -13.066 1.00 20.04 C ATOM 1367 O GLN A 89 -7.224 -9.634 -12.370 1.00 31.42 O ATOM 1368 CB GLN A 89 -6.201 -7.878 -14.973 1.00 72.32 C ATOM 1369 CG GLN A 89 -7.312 -7.009 -14.392 1.00 32.24 C ATOM 1370 CD GLN A 89 -7.066 -5.524 -14.600 1.00 74.40 C ATOM 1371 OE1 GLN A 89 -6.455 -4.858 -13.770 1.00 64.42 O ATOM 1372 NE2 GLN A 89 -7.545 -4.991 -15.705 1.00 52.25 N ATOM 0 H GLN A 89 -8.302 -9.262 -15.257 1.00 51.45 H new ATOM 0 HA GLN A 89 -5.482 -9.916 -15.045 1.00 41.32 H new ATOM 0 HB2 GLN A 89 -5.239 -7.495 -14.633 1.00 72.32 H new ATOM 0 HB3 GLN A 89 -6.214 -7.789 -16.059 1.00 72.32 H new ATOM 0 HG2 GLN A 89 -8.261 -7.284 -14.853 1.00 32.24 H new ATOM 0 HG3 GLN A 89 -7.405 -7.211 -13.325 1.00 32.24 H new ATOM 0 HE21 GLN A 89 -8.048 -5.572 -16.375 1.00 52.25 H new ATOM 0 HE22 GLN A 89 -7.412 -3.997 -15.891 1.00 52.25 H new ATOM 1381 N LYS A 90 -4.985 -9.516 -12.552 1.00 45.31 N ATOM 1382 CA LYS A 90 -4.751 -9.550 -11.104 1.00 31.21 C ATOM 1383 C LYS A 90 -4.482 -8.139 -10.557 1.00 30.12 C ATOM 1384 O LYS A 90 -4.018 -7.257 -11.283 1.00 1.33 O ATOM 1385 CB LYS A 90 -3.565 -10.470 -10.776 1.00 34.32 C ATOM 1386 CG LYS A 90 -2.231 -9.985 -11.343 1.00 72.15 C ATOM 1387 CD LYS A 90 -1.070 -10.897 -10.953 1.00 64.51 C ATOM 1388 CE LYS A 90 -1.223 -12.298 -11.530 1.00 12.52 C ATOM 1389 NZ LYS A 90 -0.064 -13.164 -11.189 1.00 54.15 N ATOM 0 H LYS A 90 -4.134 -9.494 -13.114 1.00 45.31 H new ATOM 0 HA LYS A 90 -5.650 -9.941 -10.627 1.00 31.21 H new ATOM 0 HB2 LYS A 90 -3.477 -10.561 -9.693 1.00 34.32 H new ATOM 0 HB3 LYS A 90 -3.773 -11.467 -11.164 1.00 34.32 H new ATOM 0 HG2 LYS A 90 -2.299 -9.931 -12.430 1.00 72.15 H new ATOM 0 HG3 LYS A 90 -2.033 -8.975 -10.985 1.00 72.15 H new ATOM 0 HD2 LYS A 90 -0.134 -10.461 -11.303 1.00 64.51 H new ATOM 0 HD3 LYS A 90 -1.007 -10.958 -9.867 1.00 64.51 H new ATOM 0 HE2 LYS A 90 -2.139 -12.750 -11.150 1.00 12.52 H new ATOM 0 HE3 LYS A 90 -1.324 -12.236 -12.614 1.00 12.52 H new ATOM 0 HZ1 LYS A 90 -0.204 -14.109 -11.599 1.00 54.15 H new ATOM 0 HZ2 LYS A 90 0.807 -12.746 -11.574 1.00 54.15 H new ATOM 0 HZ3 LYS A 90 0.018 -13.244 -10.155 1.00 54.15 H new ATOM 1403 N ALA A 91 -4.774 -7.935 -9.281 1.00 73.52 N ATOM 1404 CA ALA A 91 -4.527 -6.650 -8.624 1.00 54.32 C ATOM 1405 C ALA A 91 -3.719 -6.836 -7.333 1.00 52.52 C ATOM 1406 O ALA A 91 -3.920 -7.803 -6.594 1.00 22.40 O ATOM 1407 CB ALA A 91 -5.844 -5.937 -8.333 1.00 33.33 C ATOM 0 H ALA A 91 -5.185 -8.644 -8.673 1.00 73.52 H new ATOM 0 HA ALA A 91 -3.939 -6.032 -9.303 1.00 54.32 H new ATOM 0 HB1 ALA A 91 -5.642 -4.984 -7.845 1.00 33.33 H new ATOM 0 HB2 ALA A 91 -6.376 -5.760 -9.268 1.00 33.33 H new ATOM 0 HB3 ALA A 91 -6.457 -6.557 -7.678 1.00 33.33 H new ATOM 1413 N LEU A 92 -2.797 -5.915 -7.074 1.00 22.41 N ATOM 1414 CA LEU A 92 -1.971 -5.967 -5.865 1.00 4.13 C ATOM 1415 C LEU A 92 -2.750 -5.478 -4.632 1.00 62.52 C ATOM 1416 O LEU A 92 -3.004 -4.282 -4.475 1.00 22.42 O ATOM 1417 CB LEU A 92 -0.696 -5.129 -6.052 1.00 1.14 C ATOM 1418 CG LEU A 92 0.282 -5.137 -4.862 1.00 42.21 C ATOM 1419 CD1 LEU A 92 0.927 -6.514 -4.696 1.00 42.52 C ATOM 1420 CD2 LEU A 92 1.352 -4.060 -5.039 1.00 60.44 C ATOM 0 H LEU A 92 -2.600 -5.121 -7.684 1.00 22.41 H new ATOM 0 HA LEU A 92 -1.692 -7.007 -5.697 1.00 4.13 H new ATOM 0 HB2 LEU A 92 -0.170 -5.492 -6.935 1.00 1.14 H new ATOM 0 HB3 LEU A 92 -0.986 -4.098 -6.255 1.00 1.14 H new ATOM 0 HG LEU A 92 -0.283 -4.916 -3.957 1.00 42.21 H new ATOM 0 HD11 LEU A 92 1.613 -6.495 -3.850 1.00 42.52 H new ATOM 0 HD12 LEU A 92 0.152 -7.260 -4.518 1.00 42.52 H new ATOM 0 HD13 LEU A 92 1.476 -6.770 -5.602 1.00 42.52 H new ATOM 0 HD21 LEU A 92 2.034 -4.081 -4.189 1.00 60.44 H new ATOM 0 HD22 LEU A 92 1.910 -4.249 -5.956 1.00 60.44 H new ATOM 0 HD23 LEU A 92 0.876 -3.081 -5.099 1.00 60.44 H new ATOM 1432 N TYR A 93 -3.144 -6.418 -3.773 1.00 23.53 N ATOM 1433 CA TYR A 93 -3.809 -6.091 -2.505 1.00 12.14 C ATOM 1434 C TYR A 93 -2.804 -6.103 -1.346 1.00 70.10 C ATOM 1435 O TYR A 93 -1.892 -6.932 -1.305 1.00 33.32 O ATOM 1436 CB TYR A 93 -4.961 -7.064 -2.215 1.00 54.05 C ATOM 1437 CG TYR A 93 -6.169 -6.884 -3.123 1.00 64.44 C ATOM 1438 CD1 TYR A 93 -6.194 -7.417 -4.407 1.00 13.55 C ATOM 1439 CD2 TYR A 93 -7.288 -6.177 -2.689 1.00 30.21 C ATOM 1440 CE1 TYR A 93 -7.295 -7.254 -5.226 1.00 11.14 C ATOM 1441 CE2 TYR A 93 -8.392 -6.010 -3.505 1.00 25.21 C ATOM 1442 CZ TYR A 93 -8.389 -6.550 -4.772 1.00 71.11 C ATOM 1443 OH TYR A 93 -9.488 -6.388 -5.590 1.00 70.01 O ATOM 0 H TYR A 93 -3.015 -7.417 -3.930 1.00 23.53 H new ATOM 0 HA TYR A 93 -4.224 -5.088 -2.599 1.00 12.14 H new ATOM 0 HB2 TYR A 93 -4.594 -8.085 -2.315 1.00 54.05 H new ATOM 0 HB3 TYR A 93 -5.276 -6.939 -1.179 1.00 54.05 H new ATOM 0 HD1 TYR A 93 -5.339 -7.967 -4.770 1.00 13.55 H new ATOM 0 HD2 TYR A 93 -7.294 -5.751 -1.696 1.00 30.21 H new ATOM 0 HE1 TYR A 93 -7.298 -7.677 -6.220 1.00 11.14 H new ATOM 0 HE2 TYR A 93 -9.251 -5.460 -3.151 1.00 25.21 H new ATOM 0 HH TYR A 93 -10.173 -5.869 -5.119 1.00 70.01 H new ATOM 1453 N LEU A 94 -2.980 -5.183 -0.400 1.00 72.23 N ATOM 1454 CA LEU A 94 -2.018 -4.999 0.695 1.00 71.12 C ATOM 1455 C LEU A 94 -2.690 -5.149 2.073 1.00 54.34 C ATOM 1456 O LEU A 94 -3.854 -4.788 2.246 1.00 11.43 O ATOM 1457 CB LEU A 94 -1.385 -3.602 0.583 1.00 73.11 C ATOM 1458 CG LEU A 94 -0.836 -3.229 -0.807 1.00 61.41 C ATOM 1459 CD1 LEU A 94 -0.307 -1.798 -0.818 1.00 13.42 C ATOM 1460 CD2 LEU A 94 0.244 -4.206 -1.254 1.00 31.43 C ATOM 0 H LEU A 94 -3.779 -4.550 -0.366 1.00 72.23 H new ATOM 0 HA LEU A 94 -1.253 -5.771 0.609 1.00 71.12 H new ATOM 0 HB2 LEU A 94 -2.131 -2.861 0.870 1.00 73.11 H new ATOM 0 HB3 LEU A 94 -0.572 -3.532 1.306 1.00 73.11 H new ATOM 0 HG LEU A 94 -1.661 -3.293 -1.517 1.00 61.41 H new ATOM 0 HD11 LEU A 94 0.075 -1.559 -1.810 1.00 13.42 H new ATOM 0 HD12 LEU A 94 -1.113 -1.110 -0.564 1.00 13.42 H new ATOM 0 HD13 LEU A 94 0.496 -1.701 -0.087 1.00 13.42 H new ATOM 0 HD21 LEU A 94 0.612 -3.916 -2.238 1.00 31.43 H new ATOM 0 HD22 LEU A 94 1.067 -4.190 -0.540 1.00 31.43 H new ATOM 0 HD23 LEU A 94 -0.173 -5.212 -1.304 1.00 31.43 H new ATOM 1472 N ARG A 95 -1.950 -5.683 3.046 1.00 14.13 N ATOM 1473 CA ARG A 95 -2.441 -5.780 4.430 1.00 24.13 C ATOM 1474 C ARG A 95 -1.306 -5.540 5.442 1.00 31.14 C ATOM 1475 O ARG A 95 -0.125 -5.656 5.108 1.00 2.30 O ATOM 1476 CB ARG A 95 -3.116 -7.139 4.683 1.00 24.11 C ATOM 1477 CG ARG A 95 -2.201 -8.342 4.505 1.00 71.15 C ATOM 1478 CD ARG A 95 -2.944 -9.655 4.734 1.00 4.53 C ATOM 1479 NE ARG A 95 -3.430 -9.798 6.109 1.00 72.53 N ATOM 1480 CZ ARG A 95 -4.682 -9.979 6.440 1.00 11.25 C ATOM 1481 NH1 ARG A 95 -5.614 -10.003 5.537 1.00 3.21 N ATOM 1482 NH2 ARG A 95 -4.994 -10.139 7.684 1.00 63.02 N ATOM 0 H ARG A 95 -1.011 -6.055 2.906 1.00 14.13 H new ATOM 0 HA ARG A 95 -3.188 -4.998 4.570 1.00 24.13 H new ATOM 0 HB2 ARG A 95 -3.515 -7.149 5.697 1.00 24.11 H new ATOM 0 HB3 ARG A 95 -3.964 -7.241 4.006 1.00 24.11 H new ATOM 0 HG2 ARG A 95 -1.779 -8.333 3.500 1.00 71.15 H new ATOM 0 HG3 ARG A 95 -1.366 -8.270 5.202 1.00 71.15 H new ATOM 0 HD2 ARG A 95 -3.788 -9.715 4.047 1.00 4.53 H new ATOM 0 HD3 ARG A 95 -2.282 -10.488 4.499 1.00 4.53 H new ATOM 0 HE ARG A 95 -2.743 -9.753 6.861 1.00 72.53 H new ATOM 0 HH11 ARG A 95 -5.374 -9.880 4.553 1.00 3.21 H new ATOM 0 HH12 ARG A 95 -6.586 -10.145 5.811 1.00 3.21 H new ATOM 0 HH21 ARG A 95 -4.266 -10.123 8.398 1.00 63.02 H new ATOM 0 HH22 ARG A 95 -5.968 -10.281 7.951 1.00 63.02 H new ATOM 1496 N ALA A 96 -1.673 -5.210 6.676 1.00 41.34 N ATOM 1497 CA ALA A 96 -0.697 -4.822 7.705 1.00 61.01 C ATOM 1498 C ALA A 96 0.073 -6.019 8.286 1.00 60.23 C ATOM 1499 O ALA A 96 -0.459 -7.125 8.410 1.00 33.33 O ATOM 1500 CB ALA A 96 -1.401 -4.063 8.824 1.00 62.32 C ATOM 0 H ALA A 96 -2.642 -5.202 6.995 1.00 41.34 H new ATOM 0 HA ALA A 96 0.039 -4.181 7.220 1.00 61.01 H new ATOM 0 HB1 ALA A 96 -0.673 -3.778 9.584 1.00 62.32 H new ATOM 0 HB2 ALA A 96 -1.871 -3.168 8.417 1.00 62.32 H new ATOM 0 HB3 ALA A 96 -2.163 -4.700 9.272 1.00 62.32 H new ATOM 1506 N LYS A 97 1.336 -5.781 8.643 1.00 52.04 N ATOM 1507 CA LYS A 97 2.160 -6.786 9.322 1.00 75.35 C ATOM 1508 C LYS A 97 1.816 -6.848 10.819 1.00 75.11 C ATOM 1509 O LYS A 97 2.053 -5.893 11.559 1.00 33.42 O ATOM 1510 CB LYS A 97 3.650 -6.450 9.151 1.00 13.21 C ATOM 1511 CG LYS A 97 4.602 -7.435 9.832 1.00 62.20 C ATOM 1512 CD LYS A 97 4.667 -8.782 9.112 1.00 32.25 C ATOM 1513 CE LYS A 97 5.214 -8.641 7.694 1.00 71.43 C ATOM 1514 NZ LYS A 97 5.462 -9.959 7.055 1.00 45.55 N ATOM 0 H LYS A 97 1.814 -4.896 8.473 1.00 52.04 H new ATOM 0 HA LYS A 97 1.953 -7.757 8.873 1.00 75.35 H new ATOM 0 HB2 LYS A 97 3.882 -6.416 8.087 1.00 13.21 H new ATOM 0 HB3 LYS A 97 3.833 -5.452 9.549 1.00 13.21 H new ATOM 0 HG2 LYS A 97 5.601 -7.000 9.873 1.00 62.20 H new ATOM 0 HG3 LYS A 97 4.281 -7.593 10.862 1.00 62.20 H new ATOM 0 HD2 LYS A 97 5.298 -9.467 9.679 1.00 32.25 H new ATOM 0 HD3 LYS A 97 3.671 -9.223 9.075 1.00 32.25 H new ATOM 0 HE2 LYS A 97 4.508 -8.073 7.089 1.00 71.43 H new ATOM 0 HE3 LYS A 97 6.143 -8.071 7.720 1.00 71.43 H new ATOM 0 HZ1 LYS A 97 5.833 -9.815 6.094 1.00 45.55 H new ATOM 0 HZ2 LYS A 97 6.156 -10.492 7.617 1.00 45.55 H new ATOM 0 HZ3 LYS A 97 4.572 -10.494 7.006 1.00 45.55 H new ATOM 1528 N LEU A 98 1.248 -7.967 11.253 1.00 11.15 N ATOM 1529 CA LEU A 98 0.872 -8.149 12.661 1.00 32.03 C ATOM 1530 C LEU A 98 1.995 -8.837 13.457 1.00 0.13 C ATOM 1531 O LEU A 98 2.627 -9.784 12.978 1.00 71.51 O ATOM 1532 CB LEU A 98 -0.425 -8.968 12.758 1.00 53.11 C ATOM 1533 CG LEU A 98 -1.650 -8.343 12.068 1.00 21.32 C ATOM 1534 CD1 LEU A 98 -2.870 -9.249 12.212 1.00 43.43 C ATOM 1535 CD2 LEU A 98 -1.939 -6.950 12.627 1.00 34.22 C ATOM 0 H LEU A 98 1.035 -8.765 10.655 1.00 11.15 H new ATOM 0 HA LEU A 98 0.709 -7.163 13.097 1.00 32.03 H new ATOM 0 HB2 LEU A 98 -0.247 -9.952 12.325 1.00 53.11 H new ATOM 0 HB3 LEU A 98 -0.661 -9.121 13.811 1.00 53.11 H new ATOM 0 HG LEU A 98 -1.425 -8.240 11.006 1.00 21.32 H new ATOM 0 HD11 LEU A 98 -3.725 -8.789 11.717 1.00 43.43 H new ATOM 0 HD12 LEU A 98 -2.662 -10.215 11.753 1.00 43.43 H new ATOM 0 HD13 LEU A 98 -3.095 -9.391 13.269 1.00 43.43 H new ATOM 0 HD21 LEU A 98 -2.809 -6.529 12.123 1.00 34.22 H new ATOM 0 HD22 LEU A 98 -2.138 -7.021 13.696 1.00 34.22 H new ATOM 0 HD23 LEU A 98 -1.076 -6.305 12.460 1.00 34.22 H new ATOM 1547 N GLU A 99 2.236 -8.357 14.675 1.00 54.42 N ATOM 1548 CA GLU A 99 3.270 -8.931 15.546 1.00 24.34 C ATOM 1549 C GLU A 99 2.856 -10.319 16.072 1.00 20.03 C ATOM 1550 O GLU A 99 2.365 -10.454 17.198 1.00 24.21 O ATOM 1551 CB GLU A 99 3.572 -7.989 16.727 1.00 52.43 C ATOM 1552 CG GLU A 99 4.329 -6.710 16.353 1.00 12.40 C ATOM 1553 CD GLU A 99 3.574 -5.810 15.382 1.00 21.12 C ATOM 1554 OE1 GLU A 99 2.457 -5.358 15.720 1.00 22.24 O ATOM 1555 OE2 GLU A 99 4.105 -5.525 14.289 1.00 23.02 O ATOM 0 H GLU A 99 1.731 -7.571 15.085 1.00 54.42 H new ATOM 0 HA GLU A 99 4.173 -9.049 14.947 1.00 24.34 H new ATOM 0 HB2 GLU A 99 2.631 -7.711 17.202 1.00 52.43 H new ATOM 0 HB3 GLU A 99 4.154 -8.535 17.469 1.00 52.43 H new ATOM 0 HG2 GLU A 99 4.545 -6.148 17.262 1.00 12.40 H new ATOM 0 HG3 GLU A 99 5.287 -6.982 15.911 1.00 12.40 H new ATOM 1562 N HIS A 100 3.033 -11.342 15.236 1.00 64.55 N ATOM 1563 CA HIS A 100 2.733 -12.732 15.616 1.00 60.51 C ATOM 1564 C HIS A 100 3.674 -13.234 16.730 1.00 64.33 C ATOM 1565 O HIS A 100 4.828 -12.818 16.811 1.00 12.33 O ATOM 1566 CB HIS A 100 2.826 -13.658 14.391 1.00 11.14 C ATOM 1567 CG HIS A 100 4.088 -13.493 13.590 1.00 4.03 C ATOM 1568 ND1 HIS A 100 5.341 -13.390 14.156 1.00 32.32 N ATOM 1569 CD2 HIS A 100 4.280 -13.392 12.254 1.00 44.30 C ATOM 1570 CE1 HIS A 100 6.239 -13.234 13.206 1.00 30.34 C ATOM 1571 NE2 HIS A 100 5.626 -13.235 12.045 1.00 21.32 N ATOM 0 H HIS A 100 3.385 -11.238 14.284 1.00 64.55 H new ATOM 0 HA HIS A 100 1.714 -12.752 16.003 1.00 60.51 H new ATOM 0 HB2 HIS A 100 2.753 -14.693 14.725 1.00 11.14 H new ATOM 0 HB3 HIS A 100 1.970 -13.472 13.742 1.00 11.14 H new ATOM 0 HD1 HIS A 100 5.541 -13.429 15.155 1.00 32.32 H new ATOM 0 HD2 HIS A 100 3.514 -13.428 11.493 1.00 44.30 H new ATOM 0 HE1 HIS A 100 7.303 -13.124 13.357 1.00 30.34 H new ATOM 1580 N HIS A 101 3.182 -14.146 17.566 1.00 2.14 N ATOM 1581 CA HIS A 101 3.963 -14.658 18.702 1.00 64.20 C ATOM 1582 C HIS A 101 4.782 -15.901 18.312 1.00 41.14 C ATOM 1583 O HIS A 101 4.380 -16.677 17.445 1.00 52.14 O ATOM 1584 CB HIS A 101 3.029 -14.981 19.876 1.00 10.21 C ATOM 1585 CG HIS A 101 2.181 -13.817 20.284 1.00 42.34 C ATOM 1586 ND1 HIS A 101 0.804 -13.855 20.299 1.00 14.44 N ATOM 1587 CD2 HIS A 101 2.523 -12.570 20.685 1.00 53.22 C ATOM 1588 CE1 HIS A 101 0.335 -12.685 20.683 1.00 2.32 C ATOM 1589 NE2 HIS A 101 1.356 -11.885 20.925 1.00 31.23 N ATOM 0 H HIS A 101 2.248 -14.548 17.483 1.00 2.14 H new ATOM 0 HA HIS A 101 4.666 -13.882 19.004 1.00 64.20 H new ATOM 0 HB2 HIS A 101 2.384 -15.815 19.601 1.00 10.21 H new ATOM 0 HB3 HIS A 101 3.625 -15.306 20.729 1.00 10.21 H new ATOM 0 HD2 HIS A 101 3.526 -12.185 20.796 1.00 53.22 H new ATOM 0 HE1 HIS A 101 -0.708 -12.425 20.783 1.00 2.32 H new ATOM 0 HE2 HIS A 101 1.290 -10.917 21.239 1.00 31.23 H new ATOM 1598 N HIS A 102 5.924 -16.088 18.976 1.00 43.12 N ATOM 1599 CA HIS A 102 6.857 -17.181 18.663 1.00 64.23 C ATOM 1600 C HIS A 102 7.133 -18.059 19.897 1.00 15.02 C ATOM 1601 O HIS A 102 7.733 -17.611 20.872 1.00 35.42 O ATOM 1602 CB HIS A 102 8.167 -16.600 18.116 1.00 32.23 C ATOM 1603 CG HIS A 102 8.729 -15.486 18.952 1.00 64.44 C ATOM 1604 ND1 HIS A 102 9.545 -15.703 20.040 1.00 60.31 N ATOM 1605 CD2 HIS A 102 8.585 -14.141 18.860 1.00 23.15 C ATOM 1606 CE1 HIS A 102 9.875 -14.550 20.581 1.00 70.31 C ATOM 1607 NE2 HIS A 102 9.310 -13.586 19.886 1.00 43.15 N ATOM 0 H HIS A 102 6.231 -15.491 19.744 1.00 43.12 H new ATOM 0 HA HIS A 102 6.398 -17.816 17.906 1.00 64.23 H new ATOM 0 HB2 HIS A 102 8.906 -17.398 18.045 1.00 32.23 H new ATOM 0 HB3 HIS A 102 7.997 -16.233 17.104 1.00 32.23 H new ATOM 0 HD1 HIS A 102 9.847 -16.618 20.375 1.00 60.31 H new ATOM 0 HD2 HIS A 102 8.009 -13.607 18.119 1.00 23.15 H new ATOM 0 HE1 HIS A 102 10.504 -14.417 21.449 1.00 70.31 H new ATOM 1616 N HIS A 103 6.714 -19.322 19.838 1.00 21.32 N ATOM 1617 CA HIS A 103 6.818 -20.225 20.996 1.00 14.24 C ATOM 1618 C HIS A 103 8.179 -20.944 21.072 1.00 74.54 C ATOM 1619 O HIS A 103 8.256 -22.173 21.041 1.00 11.41 O ATOM 1620 CB HIS A 103 5.668 -21.240 20.981 1.00 35.34 C ATOM 1621 CG HIS A 103 4.327 -20.618 21.222 1.00 3.14 C ATOM 1622 ND1 HIS A 103 3.510 -20.970 22.273 1.00 0.54 N ATOM 1623 CD2 HIS A 103 3.660 -19.658 20.538 1.00 53.32 C ATOM 1624 CE1 HIS A 103 2.402 -20.258 22.225 1.00 15.42 C ATOM 1625 NE2 HIS A 103 2.466 -19.453 21.182 1.00 55.23 N ATOM 0 H HIS A 103 6.301 -19.747 19.008 1.00 21.32 H new ATOM 0 HA HIS A 103 6.743 -19.608 21.891 1.00 14.24 H new ATOM 0 HB2 HIS A 103 5.656 -21.751 20.018 1.00 35.34 H new ATOM 0 HB3 HIS A 103 5.852 -21.998 21.742 1.00 35.34 H new ATOM 0 HD2 HIS A 103 4.004 -19.148 19.650 1.00 53.32 H new ATOM 0 HE1 HIS A 103 1.580 -20.323 22.922 1.00 15.42 H new ATOM 0 HE2 HIS A 103 1.746 -18.787 20.901 1.00 55.23 H new ATOM 1634 N HIS A 104 9.249 -20.162 21.173 1.00 72.55 N ATOM 1635 CA HIS A 104 10.608 -20.685 21.390 1.00 11.15 C ATOM 1636 C HIS A 104 11.426 -19.670 22.210 1.00 63.03 C ATOM 1637 O HIS A 104 10.970 -18.549 22.451 1.00 12.50 O ATOM 1638 CB HIS A 104 11.323 -20.977 20.056 1.00 71.04 C ATOM 1639 CG HIS A 104 10.772 -22.146 19.282 1.00 1.51 C ATOM 1640 ND1 HIS A 104 11.315 -23.413 19.342 1.00 32.41 N ATOM 1641 CD2 HIS A 104 9.746 -22.229 18.399 1.00 42.04 C ATOM 1642 CE1 HIS A 104 10.653 -24.218 18.535 1.00 53.42 C ATOM 1643 NE2 HIS A 104 9.695 -23.527 17.952 1.00 4.11 N ATOM 0 H HIS A 104 9.206 -19.145 21.108 1.00 72.55 H new ATOM 0 HA HIS A 104 10.526 -21.624 21.937 1.00 11.15 H new ATOM 0 HB2 HIS A 104 11.268 -20.087 19.429 1.00 71.04 H new ATOM 0 HB3 HIS A 104 12.378 -21.160 20.259 1.00 71.04 H new ATOM 0 HD2 HIS A 104 9.090 -21.424 18.102 1.00 42.04 H new ATOM 0 HE1 HIS A 104 10.861 -25.266 18.378 1.00 53.42 H new ATOM 0 HE2 HIS A 104 9.024 -23.896 17.278 1.00 4.11 H new ATOM 1652 N HIS A 105 12.629 -20.049 22.637 1.00 44.24 N ATOM 1653 CA HIS A 105 13.485 -19.136 23.417 1.00 14.21 C ATOM 1654 C HIS A 105 14.815 -18.832 22.691 1.00 32.21 C ATOM 1655 O HIS A 105 15.755 -19.648 22.770 1.00 37.82 O ATOM 1656 CB HIS A 105 13.728 -19.686 24.839 1.00 24.02 C ATOM 1657 CG HIS A 105 14.189 -21.111 24.898 1.00 24.13 C ATOM 1658 ND1 HIS A 105 15.510 -21.470 25.035 1.00 23.40 N ATOM 1659 CD2 HIS A 105 13.492 -22.273 24.865 1.00 40.32 C ATOM 1660 CE1 HIS A 105 15.609 -22.781 25.088 1.00 70.14 C ATOM 1661 NE2 HIS A 105 14.401 -23.293 24.985 1.00 42.32 N ATOM 1662 OXT HIS A 105 14.903 -17.766 22.036 1.00 37.82 O ATOM 0 H HIS A 105 13.036 -20.968 22.463 1.00 44.24 H new ATOM 0 HA HIS A 105 12.953 -18.189 23.511 1.00 14.21 H new ATOM 0 HB2 HIS A 105 14.471 -19.059 25.332 1.00 24.02 H new ATOM 0 HB3 HIS A 105 12.804 -19.595 25.410 1.00 24.02 H new ATOM 0 HD2 HIS A 105 12.422 -22.376 24.763 1.00 40.32 H new ATOM 0 HE1 HIS A 105 16.526 -23.342 25.197 1.00 70.14 H new ATOM 0 HE2 HIS A 105 14.177 -24.288 24.993 1.00 42.32 H new TER 1671 HIS A 105