USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 546 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 78 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= -0.844 USER MOD Set 2.1: A 62 TYR OH : rot -162:sc= 2.46 USER MOD Set 2.2: A 104 THR OG1 : rot -165:sc= 1.17 USER MOD Set 3.1: A 54 MET CE :methyl -163:sc= -0.262 (180deg=-0.902) USER MOD Set 3.2: A 68 THR OG1 : rot -13:sc= 1.16 USER MOD Single : A 28 GLN : amide:sc= -2.12! K(o=-2.1!,f=-1.5) USER MOD Single : A 31 SER OG : rot -81:sc= 1.09 USER MOD Single : A 36 SER OG : rot 53:sc= 0.39 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.848 USER MOD Single : A 50 SER OG : rot -106:sc= 0.788 USER MOD Single : A 52 ASN : amide:sc=-0.000879 K(o=-0.00088,f=-1.3) USER MOD Single : A 56 THR OG1 : rot 44:sc= 0.26 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00259 USER MOD Single : A 61 THR OG1 : rot 33:sc= -0.0826 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc=-0.00225 K(o=-0.0022,f=-2.2!) USER MOD Single : A 79 THR OG1 : rot -13:sc= 1.22 USER MOD Single : A 81 GLN : amide:sc= -1.03 K(o=-1,f=-0.15) USER MOD Single : A 85 HIS : no HD1:sc= -0.079 X(o=-0.079,f=-0.0036) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= 1.21 (180deg=0.673) USER MOD Single : A 88 THR OG1 : rot -67:sc= 0.813 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 155:sc= -0.239 (180deg=-0.969) USER MOD Single : A 105 SER OG : rot 180:sc= -0.167 USER MOD Single : A 106 ASN : amide:sc= -0.31 K(o=-0.31,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 -0.498 -7.341 0.984 1.00 0.00 N ATOM 33 CA ASP A 25 0.039 -7.166 2.338 1.00 0.00 C ATOM 34 C ASP A 25 0.952 -5.937 2.388 1.00 0.00 C ATOM 35 O ASP A 25 1.978 -5.916 3.068 1.00 0.00 O ATOM 36 CB ASP A 25 0.769 -8.432 2.818 1.00 0.00 C ATOM 37 CG ASP A 25 0.937 -8.477 4.329 1.00 0.00 C ATOM 38 OD1 ASP A 25 -0.079 -8.636 5.044 1.00 0.00 O ATOM 39 OD2 ASP A 25 2.087 -8.385 4.814 1.00 0.00 O ATOM 0 HA ASP A 25 -0.794 -7.000 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.214 -9.312 2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.750 -8.481 2.346 1.00 0.00 H new ATOM 44 N GLY A 26 0.525 -4.899 1.685 1.00 0.00 N ATOM 45 CA GLY A 26 1.229 -3.636 1.667 1.00 0.00 C ATOM 46 C GLY A 26 0.613 -2.678 0.669 1.00 0.00 C ATOM 47 O GLY A 26 0.178 -3.093 -0.405 1.00 0.00 O ATOM 0 H GLY A 26 -0.319 -4.913 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.208 -3.191 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.276 -3.804 1.415 1.00 0.00 H new ATOM 51 N VAL A 27 0.540 -1.405 1.029 1.00 0.00 N ATOM 52 CA VAL A 27 -0.020 -0.397 0.139 1.00 0.00 C ATOM 53 C VAL A 27 1.014 0.681 -0.156 1.00 0.00 C ATOM 54 O VAL A 27 1.844 1.006 0.693 1.00 0.00 O ATOM 55 CB VAL A 27 -1.292 0.260 0.729 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.415 -0.759 0.867 1.00 0.00 C ATOM 57 CG2 VAL A 27 -0.992 0.913 2.072 1.00 0.00 C ATOM 0 H VAL A 27 0.860 -1.046 1.928 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.300 -0.906 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.620 1.037 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.298 -0.274 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.656 -1.170 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.097 -1.564 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.901 1.368 2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.631 0.158 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.229 1.681 1.941 1.00 0.00 H new ATOM 67 N GLN A 28 0.978 1.231 -1.358 1.00 0.00 N ATOM 68 CA GLN A 28 1.943 2.245 -1.732 1.00 0.00 C ATOM 69 C GLN A 28 1.242 3.537 -2.165 1.00 0.00 C ATOM 70 O GLN A 28 0.058 3.532 -2.513 1.00 0.00 O ATOM 71 CB GLN A 28 2.867 1.696 -2.832 1.00 0.00 C ATOM 72 CG GLN A 28 2.176 1.378 -4.154 1.00 0.00 C ATOM 73 CD GLN A 28 2.041 2.581 -5.071 1.00 0.00 C ATOM 74 OE1 GLN A 28 1.075 2.698 -5.823 1.00 0.00 O ATOM 75 NE2 GLN A 28 3.026 3.466 -5.043 1.00 0.00 N ATOM 0 H GLN A 28 0.299 0.995 -2.082 1.00 0.00 H new ATOM 0 HA GLN A 28 2.555 2.495 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.657 2.423 -3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.348 0.790 -2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.737 0.599 -4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.185 0.974 -3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.811 3.335 -4.405 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.999 4.278 -5.659 1.00 0.00 H new ATOM 84 N ILE A 29 1.979 4.639 -2.121 1.00 0.00 N ATOM 85 CA ILE A 29 1.452 5.941 -2.510 1.00 0.00 C ATOM 86 C ILE A 29 1.502 6.090 -4.021 1.00 0.00 C ATOM 87 O ILE A 29 2.579 6.282 -4.598 1.00 0.00 O ATOM 88 CB ILE A 29 2.254 7.096 -1.877 1.00 0.00 C ATOM 89 CG1 ILE A 29 2.333 6.924 -0.359 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.629 8.440 -2.232 1.00 0.00 C ATOM 91 CD1 ILE A 29 3.181 7.969 0.331 1.00 0.00 C ATOM 0 H ILE A 29 2.952 4.657 -1.817 1.00 0.00 H new ATOM 0 HA ILE A 29 0.423 5.993 -2.153 1.00 0.00 H new ATOM 0 HB ILE A 29 3.267 7.073 -2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.325 6.957 0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.737 5.937 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.209 9.243 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.625 8.565 -3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.605 8.475 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.189 7.781 1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.200 7.922 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.766 8.959 0.139 1.00 0.00 H new ATOM 103 N ASP A 30 0.345 6.002 -4.651 1.00 0.00 N ATOM 104 CA ASP A 30 0.253 6.074 -6.100 1.00 0.00 C ATOM 105 C ASP A 30 0.610 7.472 -6.571 1.00 0.00 C ATOM 106 O ASP A 30 1.612 7.673 -7.257 1.00 0.00 O ATOM 107 CB ASP A 30 -1.159 5.723 -6.568 1.00 0.00 C ATOM 108 CG ASP A 30 -1.261 5.574 -8.073 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.416 6.600 -8.767 1.00 0.00 O ATOM 110 OD2 ASP A 30 -1.206 4.421 -8.566 1.00 0.00 O ATOM 0 H ASP A 30 -0.551 5.880 -4.179 1.00 0.00 H new ATOM 0 HA ASP A 30 0.953 5.355 -6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.473 4.793 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.850 6.499 -6.237 1.00 0.00 H new ATOM 115 N SER A 31 -0.200 8.442 -6.172 1.00 0.00 N ATOM 116 CA SER A 31 0.005 9.814 -6.606 1.00 0.00 C ATOM 117 C SER A 31 -0.597 10.816 -5.624 1.00 0.00 C ATOM 118 O SER A 31 -1.676 10.592 -5.075 1.00 0.00 O ATOM 119 CB SER A 31 -0.593 10.004 -8.000 1.00 0.00 C ATOM 120 OG SER A 31 -1.785 9.247 -8.151 1.00 0.00 O ATOM 0 H SER A 31 -0.999 8.305 -5.553 1.00 0.00 H new ATOM 0 HA SER A 31 1.078 10.003 -6.641 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.805 11.060 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.132 9.701 -8.755 1.00 0.00 H new ATOM 0 HG SER A 31 -1.558 8.316 -8.355 1.00 0.00 H new ATOM 126 N VAL A 32 0.114 11.918 -5.399 1.00 0.00 N ATOM 127 CA VAL A 32 -0.363 12.978 -4.520 1.00 0.00 C ATOM 128 C VAL A 32 -1.233 13.952 -5.309 1.00 0.00 C ATOM 129 O VAL A 32 -0.811 14.468 -6.344 1.00 0.00 O ATOM 130 CB VAL A 32 0.813 13.745 -3.870 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.306 14.870 -2.982 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.698 12.792 -3.079 1.00 0.00 C ATOM 0 H VAL A 32 1.027 12.099 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.950 12.517 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 32 1.410 14.190 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.153 15.393 -2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.279 15.569 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.320 14.456 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.520 13.348 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.110 12.315 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.099 12.029 -3.746 1.00 0.00 H new ATOM 142 N VAL A 33 -2.444 14.194 -4.825 1.00 0.00 N ATOM 143 CA VAL A 33 -3.392 15.029 -5.538 1.00 0.00 C ATOM 144 C VAL A 33 -3.499 16.423 -4.921 1.00 0.00 C ATOM 145 O VAL A 33 -3.674 16.572 -3.709 1.00 0.00 O ATOM 146 CB VAL A 33 -4.786 14.370 -5.587 1.00 0.00 C ATOM 147 CG1 VAL A 33 -4.800 13.222 -6.587 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.211 13.878 -4.210 1.00 0.00 C ATOM 0 H VAL A 33 -2.790 13.822 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.015 15.136 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.501 15.126 -5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.791 12.770 -6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.553 13.600 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.065 12.473 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.197 13.418 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.492 13.143 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.249 14.720 -3.519 1.00 0.00 H new ATOM 158 N PRO A 34 -3.372 17.466 -5.757 1.00 0.00 N ATOM 159 CA PRO A 34 -3.516 18.854 -5.318 1.00 0.00 C ATOM 160 C PRO A 34 -4.956 19.189 -4.941 1.00 0.00 C ATOM 161 O PRO A 34 -5.892 18.463 -5.289 1.00 0.00 O ATOM 162 CB PRO A 34 -3.074 19.664 -6.537 1.00 0.00 C ATOM 163 CG PRO A 34 -3.308 18.761 -7.697 1.00 0.00 C ATOM 164 CD PRO A 34 -3.055 17.369 -7.191 1.00 0.00 C ATOM 0 HA PRO A 34 -2.930 19.064 -4.423 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.649 20.585 -6.630 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.025 19.950 -6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.327 18.862 -8.071 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.639 19.004 -8.523 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.687 16.637 -7.694 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.022 17.063 -7.355 1.00 0.00 H new ATOM 172 N GLY A 35 -5.131 20.296 -4.237 1.00 0.00 N ATOM 173 CA GLY A 35 -6.435 20.661 -3.720 1.00 0.00 C ATOM 174 C GLY A 35 -6.567 20.254 -2.272 1.00 0.00 C ATOM 175 O GLY A 35 -7.212 20.930 -1.470 1.00 0.00 O ATOM 0 H GLY A 35 -4.386 20.955 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.582 21.737 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.214 20.179 -4.311 1.00 0.00 H new ATOM 179 N SER A 36 -5.938 19.142 -1.953 1.00 0.00 N ATOM 180 CA SER A 36 -5.865 18.642 -0.596 1.00 0.00 C ATOM 181 C SER A 36 -4.465 18.899 -0.029 1.00 0.00 C ATOM 182 O SER A 36 -3.569 19.313 -0.771 1.00 0.00 O ATOM 183 CB SER A 36 -6.198 17.147 -0.612 1.00 0.00 C ATOM 184 OG SER A 36 -5.810 16.559 -1.845 1.00 0.00 O ATOM 0 H SER A 36 -5.458 18.554 -2.635 1.00 0.00 H new ATOM 0 HA SER A 36 -6.582 19.156 0.045 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.688 16.647 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.268 17.006 -0.457 1.00 0.00 H new ATOM 0 HG SER A 36 -4.871 16.773 -2.028 1.00 0.00 H new ATOM 190 N PRO A 37 -4.256 18.696 1.285 1.00 0.00 N ATOM 191 CA PRO A 37 -2.935 18.872 1.906 1.00 0.00 C ATOM 192 C PRO A 37 -1.923 17.810 1.458 1.00 0.00 C ATOM 193 O PRO A 37 -2.186 17.039 0.534 1.00 0.00 O ATOM 194 CB PRO A 37 -3.223 18.731 3.404 1.00 0.00 C ATOM 195 CG PRO A 37 -4.473 17.925 3.479 1.00 0.00 C ATOM 196 CD PRO A 37 -5.283 18.308 2.274 1.00 0.00 C ATOM 0 HA PRO A 37 -2.485 19.825 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.401 18.234 3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.352 19.705 3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.250 16.858 3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.018 18.135 4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.892 17.477 1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.964 19.131 2.492 1.00 0.00 H new ATOM 204 N ALA A 38 -0.766 17.789 2.136 1.00 0.00 N ATOM 205 CA ALA A 38 0.323 16.841 1.857 1.00 0.00 C ATOM 206 C ALA A 38 1.086 17.192 0.580 1.00 0.00 C ATOM 207 O ALA A 38 1.972 16.442 0.166 1.00 0.00 O ATOM 208 CB ALA A 38 -0.189 15.407 1.790 1.00 0.00 C ATOM 0 H ALA A 38 -0.558 18.434 2.899 1.00 0.00 H new ATOM 0 HA ALA A 38 1.021 16.921 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.642 14.733 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.644 15.138 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.932 15.322 0.997 1.00 0.00 H new ATOM 214 N SER A 39 0.758 18.341 -0.014 1.00 0.00 N ATOM 215 CA SER A 39 1.403 18.797 -1.245 1.00 0.00 C ATOM 216 C SER A 39 2.925 18.787 -1.091 1.00 0.00 C ATOM 217 O SER A 39 3.626 18.058 -1.797 1.00 0.00 O ATOM 218 CB SER A 39 0.899 20.204 -1.607 1.00 0.00 C ATOM 219 OG SER A 39 1.363 20.619 -2.881 1.00 0.00 O ATOM 0 H SER A 39 0.044 18.976 0.342 1.00 0.00 H new ATOM 0 HA SER A 39 1.144 18.114 -2.054 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.191 20.213 -1.597 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.231 20.915 -0.850 1.00 0.00 H new ATOM 0 HG SER A 39 1.021 21.516 -3.077 1.00 0.00 H new ATOM 225 N LYS A 40 3.437 19.585 -0.162 1.00 0.00 N ATOM 226 CA LYS A 40 4.849 19.527 0.175 1.00 0.00 C ATOM 227 C LYS A 40 4.998 18.961 1.581 1.00 0.00 C ATOM 228 O LYS A 40 5.388 19.663 2.517 1.00 0.00 O ATOM 229 CB LYS A 40 5.512 20.910 0.061 1.00 0.00 C ATOM 230 CG LYS A 40 6.986 20.862 -0.347 1.00 0.00 C ATOM 231 CD LYS A 40 7.858 20.187 0.704 1.00 0.00 C ATOM 232 CE LYS A 40 9.285 19.978 0.212 1.00 0.00 C ATOM 233 NZ LYS A 40 10.018 21.260 0.034 1.00 0.00 N ATOM 0 H LYS A 40 2.900 20.273 0.366 1.00 0.00 H new ATOM 0 HA LYS A 40 5.358 18.875 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.963 21.506 -0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.427 21.422 1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.081 20.327 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.346 21.877 -0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.872 20.795 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.422 19.225 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.823 19.351 0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.264 19.440 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.983 21.065 -0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.521 21.850 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.063 21.763 0.943 1.00 0.00 H new ATOM 247 N VAL A 41 4.614 17.700 1.730 1.00 0.00 N ATOM 248 CA VAL A 41 4.776 16.986 2.988 1.00 0.00 C ATOM 249 C VAL A 41 5.265 15.569 2.704 1.00 0.00 C ATOM 250 O VAL A 41 6.240 15.107 3.297 1.00 0.00 O ATOM 251 CB VAL A 41 3.463 16.917 3.806 1.00 0.00 C ATOM 252 CG1 VAL A 41 3.713 16.287 5.167 1.00 0.00 C ATOM 253 CG2 VAL A 41 2.838 18.295 3.974 1.00 0.00 C ATOM 0 H VAL A 41 4.185 17.147 0.988 1.00 0.00 H new ATOM 0 HA VAL A 41 5.504 17.537 3.583 1.00 0.00 H new ATOM 0 HB VAL A 41 2.762 16.294 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.779 16.247 5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.100 15.277 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.440 16.885 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.918 18.209 4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.536 18.950 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.612 18.714 2.993 1.00 0.00 H new ATOM 263 N LEU A 42 4.577 14.896 1.784 1.00 0.00 N ATOM 264 CA LEU A 42 4.971 13.565 1.343 1.00 0.00 C ATOM 265 C LEU A 42 5.263 13.580 -0.150 1.00 0.00 C ATOM 266 O LEU A 42 5.006 14.573 -0.836 1.00 0.00 O ATOM 267 CB LEU A 42 3.875 12.522 1.629 1.00 0.00 C ATOM 268 CG LEU A 42 3.610 12.203 3.105 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.731 13.264 3.749 1.00 0.00 C ATOM 270 CD2 LEU A 42 2.970 10.831 3.249 1.00 0.00 C ATOM 0 H LEU A 42 3.739 15.256 1.328 1.00 0.00 H new ATOM 0 HA LEU A 42 5.865 13.286 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.944 12.872 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.144 11.595 1.121 1.00 0.00 H new ATOM 0 HG LEU A 42 4.570 12.199 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.561 13.010 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.226 14.233 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.775 13.311 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.790 10.623 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.024 10.812 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.637 10.073 2.838 1.00 0.00 H new ATOM 282 N THR A 43 5.799 12.479 -0.648 1.00 0.00 N ATOM 283 CA THR A 43 6.080 12.333 -2.063 1.00 0.00 C ATOM 284 C THR A 43 5.440 11.058 -2.606 1.00 0.00 C ATOM 285 O THR A 43 5.332 10.060 -1.893 1.00 0.00 O ATOM 286 CB THR A 43 7.596 12.298 -2.323 1.00 0.00 C ATOM 287 OG1 THR A 43 8.243 11.469 -1.347 1.00 0.00 O ATOM 288 CG2 THR A 43 8.190 13.696 -2.286 1.00 0.00 C ATOM 0 H THR A 43 6.050 11.666 -0.085 1.00 0.00 H new ATOM 0 HA THR A 43 5.656 13.196 -2.577 1.00 0.00 H new ATOM 0 HB THR A 43 7.759 11.883 -3.317 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.207 11.451 -1.521 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.262 13.641 -2.473 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.719 14.312 -3.052 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.015 14.140 -1.306 1.00 0.00 H new ATOM 296 N PRO A 44 4.995 11.074 -3.871 1.00 0.00 N ATOM 297 CA PRO A 44 4.395 9.901 -4.510 1.00 0.00 C ATOM 298 C PRO A 44 5.449 8.879 -4.934 1.00 0.00 C ATOM 299 O PRO A 44 6.619 9.221 -5.119 1.00 0.00 O ATOM 300 CB PRO A 44 3.695 10.497 -5.731 1.00 0.00 C ATOM 301 CG PRO A 44 4.513 11.690 -6.083 1.00 0.00 C ATOM 302 CD PRO A 44 5.041 12.237 -4.782 1.00 0.00 C ATOM 0 HA PRO A 44 3.726 9.357 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.658 9.784 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.666 10.774 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.330 11.418 -6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.911 12.435 -6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.055 12.621 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.427 13.059 -4.414 1.00 0.00 H new ATOM 310 N GLY A 45 5.031 7.629 -5.076 1.00 0.00 N ATOM 311 CA GLY A 45 5.949 6.587 -5.495 1.00 0.00 C ATOM 312 C GLY A 45 6.626 5.898 -4.325 1.00 0.00 C ATOM 313 O GLY A 45 7.590 5.156 -4.513 1.00 0.00 O ATOM 0 H GLY A 45 4.074 7.317 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.407 5.846 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.709 7.018 -6.147 1.00 0.00 H new ATOM 317 N LEU A 46 6.136 6.148 -3.119 1.00 0.00 N ATOM 318 CA LEU A 46 6.684 5.506 -1.930 1.00 0.00 C ATOM 319 C LEU A 46 5.761 4.392 -1.462 1.00 0.00 C ATOM 320 O LEU A 46 4.608 4.326 -1.880 1.00 0.00 O ATOM 321 CB LEU A 46 6.861 6.526 -0.803 1.00 0.00 C ATOM 322 CG LEU A 46 7.697 7.755 -1.150 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.829 8.659 0.062 1.00 0.00 C ATOM 324 CD2 LEU A 46 9.069 7.351 -1.661 1.00 0.00 C ATOM 0 H LEU A 46 5.363 6.788 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 46 7.657 5.086 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.874 6.859 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.322 6.024 0.048 1.00 0.00 H new ATOM 0 HG LEU A 46 7.188 8.302 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.427 9.532 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.839 8.981 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.315 8.114 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.645 8.244 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.590 6.779 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.958 6.739 -2.556 1.00 0.00 H new ATOM 336 N VAL A 47 6.264 3.520 -0.603 1.00 0.00 N ATOM 337 CA VAL A 47 5.446 2.461 -0.029 1.00 0.00 C ATOM 338 C VAL A 47 5.116 2.777 1.431 1.00 0.00 C ATOM 339 O VAL A 47 5.982 3.231 2.183 1.00 0.00 O ATOM 340 CB VAL A 47 6.157 1.088 -0.112 1.00 0.00 C ATOM 341 CG1 VAL A 47 5.264 -0.019 0.427 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.577 0.787 -1.544 1.00 0.00 C ATOM 0 H VAL A 47 7.234 3.524 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 47 4.524 2.407 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 47 7.053 1.133 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.786 -0.973 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.019 0.186 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.346 -0.064 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.075 -0.182 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.696 0.767 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.262 1.560 -1.893 1.00 0.00 H new ATOM 352 N ILE A 48 3.870 2.536 1.823 1.00 0.00 N ATOM 353 CA ILE A 48 3.412 2.824 3.180 1.00 0.00 C ATOM 354 C ILE A 48 3.492 1.582 4.053 1.00 0.00 C ATOM 355 O ILE A 48 3.014 0.509 3.679 1.00 0.00 O ATOM 356 CB ILE A 48 1.958 3.352 3.192 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.852 4.649 2.389 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.474 3.572 4.621 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.455 5.239 2.369 1.00 0.00 C ATOM 0 H ILE A 48 3.153 2.139 1.216 1.00 0.00 H new ATOM 0 HA ILE A 48 4.070 3.596 3.578 1.00 0.00 H new ATOM 0 HB ILE A 48 1.320 2.601 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.541 5.383 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.172 4.459 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.449 3.943 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.510 2.629 5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.116 4.301 5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.456 6.157 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.236 4.523 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.139 5.461 3.388 1.00 0.00 H new ATOM 371 N GLU A 49 4.105 1.737 5.212 1.00 0.00 N ATOM 372 CA GLU A 49 4.175 0.668 6.186 1.00 0.00 C ATOM 373 C GLU A 49 2.943 0.683 7.069 1.00 0.00 C ATOM 374 O GLU A 49 2.213 -0.306 7.177 1.00 0.00 O ATOM 375 CB GLU A 49 5.405 0.829 7.075 1.00 0.00 C ATOM 376 CG GLU A 49 5.556 -0.289 8.095 1.00 0.00 C ATOM 377 CD GLU A 49 6.461 0.085 9.245 1.00 0.00 C ATOM 378 OE1 GLU A 49 6.042 0.901 10.093 1.00 0.00 O ATOM 379 OE2 GLU A 49 7.587 -0.452 9.320 1.00 0.00 O ATOM 0 H GLU A 49 4.564 2.601 5.501 1.00 0.00 H new ATOM 0 HA GLU A 49 4.236 -0.275 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.296 0.864 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.345 1.784 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.573 -0.555 8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.953 -1.175 7.600 1.00 0.00 H new ATOM 386 N SER A 50 2.712 1.824 7.695 1.00 0.00 N ATOM 387 CA SER A 50 1.694 1.915 8.720 1.00 0.00 C ATOM 388 C SER A 50 1.063 3.294 8.776 1.00 0.00 C ATOM 389 O SER A 50 1.686 4.298 8.420 1.00 0.00 O ATOM 390 CB SER A 50 2.309 1.559 10.074 1.00 0.00 C ATOM 391 OG SER A 50 3.525 2.263 10.285 1.00 0.00 O ATOM 0 H SER A 50 3.213 2.693 7.511 1.00 0.00 H new ATOM 0 HA SER A 50 0.900 1.210 8.473 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.604 1.797 10.871 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.494 0.486 10.122 1.00 0.00 H new ATOM 0 HG SER A 50 4.281 1.648 10.183 1.00 0.00 H new ATOM 397 N ILE A 51 -0.181 3.323 9.227 1.00 0.00 N ATOM 398 CA ILE A 51 -0.903 4.568 9.418 1.00 0.00 C ATOM 399 C ILE A 51 -1.121 4.814 10.908 1.00 0.00 C ATOM 400 O ILE A 51 -2.141 4.419 11.476 1.00 0.00 O ATOM 401 CB ILE A 51 -2.264 4.576 8.680 1.00 0.00 C ATOM 402 CG1 ILE A 51 -2.063 4.352 7.175 1.00 0.00 C ATOM 403 CG2 ILE A 51 -3.008 5.886 8.927 1.00 0.00 C ATOM 404 CD1 ILE A 51 -1.250 5.433 6.497 1.00 0.00 C ATOM 0 H ILE A 51 -0.715 2.488 9.469 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.296 5.367 8.992 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.868 3.759 9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.570 3.392 7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.039 4.289 6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.961 5.868 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.188 6.007 9.995 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.407 6.720 8.564 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.152 5.203 5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.751 6.394 6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.260 5.482 6.950 1.00 0.00 H new ATOM 416 N ASN A 52 -0.115 5.417 11.526 1.00 0.00 N ATOM 417 CA ASN A 52 -0.144 5.808 12.933 1.00 0.00 C ATOM 418 C ASN A 52 -0.476 4.634 13.843 1.00 0.00 C ATOM 419 O ASN A 52 -1.615 4.465 14.283 1.00 0.00 O ATOM 420 CB ASN A 52 -1.128 6.953 13.145 1.00 0.00 C ATOM 421 CG ASN A 52 -0.976 7.623 14.497 1.00 0.00 C ATOM 422 OD1 ASN A 52 0.087 7.586 15.112 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.031 8.274 14.940 1.00 0.00 N ATOM 0 H ASN A 52 0.760 5.653 11.058 1.00 0.00 H new ATOM 0 HA ASN A 52 0.856 6.149 13.201 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.987 7.696 12.360 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.145 6.574 13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.986 8.775 15.827 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.894 8.278 14.396 1.00 0.00 H new ATOM 430 N GLY A 53 0.523 3.807 14.093 1.00 0.00 N ATOM 431 CA GLY A 53 0.341 2.664 14.962 1.00 0.00 C ATOM 432 C GLY A 53 -0.253 1.475 14.237 1.00 0.00 C ATOM 433 O GLY A 53 0.260 0.361 14.338 1.00 0.00 O ATOM 0 H GLY A 53 1.462 3.906 13.708 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.302 2.381 15.391 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.309 2.942 15.792 1.00 0.00 H new ATOM 437 N MET A 54 -1.328 1.711 13.501 1.00 0.00 N ATOM 438 CA MET A 54 -2.000 0.654 12.758 1.00 0.00 C ATOM 439 C MET A 54 -1.341 0.460 11.397 1.00 0.00 C ATOM 440 O MET A 54 -1.420 1.332 10.536 1.00 0.00 O ATOM 441 CB MET A 54 -3.476 1.009 12.566 1.00 0.00 C ATOM 442 CG MET A 54 -4.258 1.141 13.864 1.00 0.00 C ATOM 443 SD MET A 54 -5.919 1.794 13.607 1.00 0.00 S ATOM 444 CE MET A 54 -5.544 3.439 13.001 1.00 0.00 C ATOM 0 H MET A 54 -1.757 2.631 13.402 1.00 0.00 H new ATOM 0 HA MET A 54 -1.921 -0.273 13.325 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.544 1.948 12.017 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.945 0.243 11.948 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.325 0.165 14.345 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.715 1.795 14.546 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.431 4.067 13.081 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.739 3.871 13.595 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.233 3.380 11.958 1.00 0.00 H new ATOM 454 N PRO A 55 -0.673 -0.682 11.182 1.00 0.00 N ATOM 455 CA PRO A 55 -0.028 -0.973 9.907 1.00 0.00 C ATOM 456 C PRO A 55 -1.042 -1.355 8.832 1.00 0.00 C ATOM 457 O PRO A 55 -1.943 -2.165 9.070 1.00 0.00 O ATOM 458 CB PRO A 55 0.888 -2.146 10.236 1.00 0.00 C ATOM 459 CG PRO A 55 0.220 -2.845 11.370 1.00 0.00 C ATOM 460 CD PRO A 55 -0.508 -1.783 12.151 1.00 0.00 C ATOM 0 HA PRO A 55 0.503 -0.112 9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.007 -2.808 9.378 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.885 -1.804 10.514 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.473 -3.603 11.005 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.951 -3.356 11.997 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.470 -2.143 12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.064 -1.466 13.023 1.00 0.00 H new ATOM 468 N THR A 56 -0.897 -0.781 7.651 1.00 0.00 N ATOM 469 CA THR A 56 -1.860 -0.998 6.589 1.00 0.00 C ATOM 470 C THR A 56 -1.278 -1.853 5.473 1.00 0.00 C ATOM 471 O THR A 56 -0.618 -1.356 4.560 1.00 0.00 O ATOM 472 CB THR A 56 -2.360 0.336 6.020 1.00 0.00 C ATOM 473 OG1 THR A 56 -1.245 1.180 5.701 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.265 1.036 7.022 1.00 0.00 C ATOM 0 H THR A 56 -0.124 -0.163 7.405 1.00 0.00 H new ATOM 0 HA THR A 56 -2.704 -1.533 7.024 1.00 0.00 H new ATOM 0 HB THR A 56 -2.931 0.135 5.113 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.555 0.653 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.611 1.981 6.602 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.123 0.401 7.243 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.711 1.229 7.941 1.00 0.00 H new ATOM 482 N SER A 57 -1.510 -3.147 5.577 1.00 0.00 N ATOM 483 CA SER A 57 -1.065 -4.099 4.580 1.00 0.00 C ATOM 484 C SER A 57 -2.218 -4.463 3.649 1.00 0.00 C ATOM 485 O SER A 57 -2.023 -5.040 2.585 1.00 0.00 O ATOM 486 CB SER A 57 -0.533 -5.343 5.283 1.00 0.00 C ATOM 487 OG SER A 57 0.457 -5.001 6.237 1.00 0.00 O ATOM 0 H SER A 57 -2.014 -3.568 6.358 1.00 0.00 H new ATOM 0 HA SER A 57 -0.270 -3.657 3.980 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.353 -5.866 5.776 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.113 -6.029 4.548 1.00 0.00 H new ATOM 0 HG SER A 57 0.782 -5.814 6.677 1.00 0.00 H new ATOM 493 N ASN A 58 -3.428 -4.123 4.049 1.00 0.00 N ATOM 494 CA ASN A 58 -4.587 -4.441 3.239 1.00 0.00 C ATOM 495 C ASN A 58 -5.389 -3.190 2.977 1.00 0.00 C ATOM 496 O ASN A 58 -5.277 -2.204 3.707 1.00 0.00 O ATOM 497 CB ASN A 58 -5.474 -5.490 3.913 1.00 0.00 C ATOM 498 CG ASN A 58 -4.806 -6.845 4.008 1.00 0.00 C ATOM 499 OD1 ASN A 58 -4.885 -7.657 3.084 1.00 0.00 O ATOM 500 ND2 ASN A 58 -4.157 -7.108 5.127 1.00 0.00 N ATOM 0 H ASN A 58 -3.633 -3.632 4.919 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.231 -4.856 2.296 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.737 -5.148 4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.405 -5.587 3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.698 -8.010 5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.115 -6.409 5.868 1.00 0.00 H new ATOM 507 N LEU A 59 -6.200 -3.237 1.939 1.00 0.00 N ATOM 508 CA LEU A 59 -7.070 -2.139 1.606 1.00 0.00 C ATOM 509 C LEU A 59 -8.180 -2.042 2.642 1.00 0.00 C ATOM 510 O LEU A 59 -8.702 -0.964 2.919 1.00 0.00 O ATOM 511 CB LEU A 59 -7.645 -2.360 0.211 1.00 0.00 C ATOM 512 CG LEU A 59 -6.615 -2.384 -0.925 1.00 0.00 C ATOM 513 CD1 LEU A 59 -7.292 -2.657 -2.258 1.00 0.00 C ATOM 514 CD2 LEU A 59 -5.843 -1.071 -0.980 1.00 0.00 C ATOM 0 H LEU A 59 -6.271 -4.036 1.308 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.512 -1.202 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.190 -3.304 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.370 -1.572 0.006 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.909 -3.190 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.544 -2.670 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.796 -3.623 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.023 -1.874 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.118 -1.109 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.537 -0.248 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.322 -0.916 -0.035 1.00 0.00 H new ATOM 526 N THR A 60 -8.509 -3.185 3.227 1.00 0.00 N ATOM 527 CA THR A 60 -9.523 -3.267 4.257 1.00 0.00 C ATOM 528 C THR A 60 -9.041 -2.594 5.542 1.00 0.00 C ATOM 529 O THR A 60 -9.746 -1.761 6.118 1.00 0.00 O ATOM 530 CB THR A 60 -9.871 -4.740 4.542 1.00 0.00 C ATOM 531 OG1 THR A 60 -9.985 -5.451 3.302 1.00 0.00 O ATOM 532 CG2 THR A 60 -11.172 -4.854 5.321 1.00 0.00 C ATOM 0 H THR A 60 -8.077 -4.080 2.997 1.00 0.00 H new ATOM 0 HA THR A 60 -10.414 -2.749 3.903 1.00 0.00 H new ATOM 0 HB THR A 60 -9.074 -5.173 5.146 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.205 -6.389 3.482 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.393 -5.905 5.508 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.074 -4.329 6.271 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.982 -4.410 4.743 1.00 0.00 H new ATOM 540 N THR A 61 -7.829 -2.933 5.976 1.00 0.00 N ATOM 541 CA THR A 61 -7.253 -2.324 7.166 1.00 0.00 C ATOM 542 C THR A 61 -6.957 -0.846 6.936 1.00 0.00 C ATOM 543 O THR A 61 -7.088 -0.029 7.846 1.00 0.00 O ATOM 544 CB THR A 61 -5.970 -3.055 7.617 1.00 0.00 C ATOM 545 OG1 THR A 61 -5.208 -3.482 6.481 1.00 0.00 O ATOM 546 CG2 THR A 61 -6.309 -4.253 8.491 1.00 0.00 C ATOM 0 H THR A 61 -7.231 -3.623 5.522 1.00 0.00 H new ATOM 0 HA THR A 61 -7.993 -2.415 7.961 1.00 0.00 H new ATOM 0 HB THR A 61 -5.373 -2.355 8.201 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.315 -2.834 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.390 -4.752 8.797 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.850 -3.917 9.375 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.930 -4.950 7.928 1.00 0.00 H new ATOM 554 N TYR A 62 -6.570 -0.508 5.711 1.00 0.00 N ATOM 555 CA TYR A 62 -6.352 0.881 5.332 1.00 0.00 C ATOM 556 C TYR A 62 -7.661 1.656 5.451 1.00 0.00 C ATOM 557 O TYR A 62 -7.690 2.797 5.918 1.00 0.00 O ATOM 558 CB TYR A 62 -5.816 0.963 3.899 1.00 0.00 C ATOM 559 CG TYR A 62 -5.166 2.287 3.562 1.00 0.00 C ATOM 560 CD1 TYR A 62 -3.807 2.483 3.780 1.00 0.00 C ATOM 561 CD2 TYR A 62 -5.899 3.336 3.019 1.00 0.00 C ATOM 562 CE1 TYR A 62 -3.199 3.680 3.469 1.00 0.00 C ATOM 563 CE2 TYR A 62 -5.295 4.541 2.708 1.00 0.00 C ATOM 564 CZ TYR A 62 -3.943 4.705 2.932 1.00 0.00 C ATOM 565 OH TYR A 62 -3.330 5.894 2.614 1.00 0.00 O ATOM 0 H TYR A 62 -6.401 -1.180 4.962 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.614 1.321 6.002 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.090 0.164 3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.637 0.785 3.204 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.217 1.682 4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.956 3.208 2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.142 3.813 3.646 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.878 5.349 2.292 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.007 6.596 2.521 1.00 0.00 H new ATOM 575 N SER A 63 -8.746 1.010 5.041 1.00 0.00 N ATOM 576 CA SER A 63 -10.071 1.598 5.117 1.00 0.00 C ATOM 577 C SER A 63 -10.495 1.764 6.572 1.00 0.00 C ATOM 578 O SER A 63 -10.992 2.819 6.970 1.00 0.00 O ATOM 579 CB SER A 63 -11.073 0.709 4.373 1.00 0.00 C ATOM 580 OG SER A 63 -12.289 1.392 4.121 1.00 0.00 O ATOM 0 H SER A 63 -8.729 0.069 4.649 1.00 0.00 H new ATOM 0 HA SER A 63 -10.049 2.582 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.638 0.380 3.430 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.273 -0.186 4.962 1.00 0.00 H new ATOM 0 HG SER A 63 -12.905 0.798 3.644 1.00 0.00 H new ATOM 586 N ALA A 64 -10.266 0.723 7.363 1.00 0.00 N ATOM 587 CA ALA A 64 -10.632 0.728 8.772 1.00 0.00 C ATOM 588 C ALA A 64 -9.919 1.848 9.511 1.00 0.00 C ATOM 589 O ALA A 64 -10.499 2.509 10.372 1.00 0.00 O ATOM 590 CB ALA A 64 -10.301 -0.614 9.403 1.00 0.00 C ATOM 0 H ALA A 64 -9.825 -0.141 7.048 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.706 0.899 8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.579 -0.599 10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.855 -1.402 8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.232 -0.805 9.312 1.00 0.00 H new ATOM 596 N ALA A 65 -8.667 2.072 9.141 1.00 0.00 N ATOM 597 CA ALA A 65 -7.858 3.106 9.769 1.00 0.00 C ATOM 598 C ALA A 65 -8.436 4.480 9.477 1.00 0.00 C ATOM 599 O ALA A 65 -8.589 5.303 10.375 1.00 0.00 O ATOM 600 CB ALA A 65 -6.417 3.018 9.285 1.00 0.00 C ATOM 0 H ALA A 65 -8.188 1.550 8.407 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.869 2.950 10.848 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.824 3.798 9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.006 2.041 9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.388 3.152 8.204 1.00 0.00 H new ATOM 606 N LEU A 66 -8.782 4.704 8.215 1.00 0.00 N ATOM 607 CA LEU A 66 -9.339 5.975 7.771 1.00 0.00 C ATOM 608 C LEU A 66 -10.619 6.296 8.538 1.00 0.00 C ATOM 609 O LEU A 66 -10.836 7.428 8.964 1.00 0.00 O ATOM 610 CB LEU A 66 -9.627 5.900 6.271 1.00 0.00 C ATOM 611 CG LEU A 66 -9.516 7.222 5.501 1.00 0.00 C ATOM 612 CD1 LEU A 66 -9.449 6.958 4.004 1.00 0.00 C ATOM 613 CD2 LEU A 66 -10.689 8.142 5.819 1.00 0.00 C ATOM 0 H LEU A 66 -8.685 4.011 7.473 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.619 6.770 7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.939 5.183 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.633 5.505 6.133 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.598 7.719 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.370 7.905 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.577 6.343 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.352 6.436 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.584 9.072 5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.622 7.653 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.701 8.361 6.887 1.00 0.00 H new ATOM 625 N LYS A 67 -11.446 5.279 8.720 1.00 0.00 N ATOM 626 CA LYS A 67 -12.742 5.437 9.381 1.00 0.00 C ATOM 627 C LYS A 67 -12.605 5.880 10.839 1.00 0.00 C ATOM 628 O LYS A 67 -13.533 6.462 11.404 1.00 0.00 O ATOM 629 CB LYS A 67 -13.536 4.133 9.305 1.00 0.00 C ATOM 630 CG LYS A 67 -13.811 3.682 7.883 1.00 0.00 C ATOM 631 CD LYS A 67 -14.662 2.426 7.843 1.00 0.00 C ATOM 632 CE LYS A 67 -14.933 1.999 6.413 1.00 0.00 C ATOM 633 NZ LYS A 67 -15.865 0.847 6.344 1.00 0.00 N ATOM 0 H LYS A 67 -11.245 4.326 8.418 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.277 6.225 8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.987 3.350 9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.484 4.261 9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.316 4.481 7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.866 3.497 7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.155 1.622 8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.606 2.605 8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.352 2.838 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.993 1.734 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.023 0.587 5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.455 0.038 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.772 1.107 6.782 1.00 0.00 H new ATOM 647 N THR A 68 -11.459 5.606 11.444 1.00 0.00 N ATOM 648 CA THR A 68 -11.229 5.985 12.831 1.00 0.00 C ATOM 649 C THR A 68 -10.595 7.372 12.931 1.00 0.00 C ATOM 650 O THR A 68 -10.545 7.966 14.009 1.00 0.00 O ATOM 651 CB THR A 68 -10.349 4.957 13.576 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.079 4.803 12.930 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.050 3.607 13.655 1.00 0.00 C ATOM 0 H THR A 68 -10.677 5.125 11.000 1.00 0.00 H new ATOM 0 HA THR A 68 -12.208 6.007 13.310 1.00 0.00 H new ATOM 0 HB THR A 68 -10.184 5.333 14.586 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.113 5.212 12.040 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.414 2.897 14.183 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.993 3.717 14.190 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.246 3.239 12.648 1.00 0.00 H new ATOM 661 N ILE A 69 -10.114 7.884 11.804 1.00 0.00 N ATOM 662 CA ILE A 69 -9.425 9.168 11.785 1.00 0.00 C ATOM 663 C ILE A 69 -10.403 10.324 11.978 1.00 0.00 C ATOM 664 O ILE A 69 -11.494 10.341 11.401 1.00 0.00 O ATOM 665 CB ILE A 69 -8.651 9.378 10.463 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.685 8.220 10.217 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.890 10.695 10.484 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.701 7.997 11.343 1.00 0.00 C ATOM 0 H ILE A 69 -10.188 7.430 10.893 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.716 9.154 12.613 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.377 9.410 9.650 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.259 7.307 10.062 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.133 8.409 9.296 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.353 10.820 9.543 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.592 11.519 10.614 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.179 10.691 11.310 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.049 7.159 11.096 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.100 8.895 11.484 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.244 7.776 12.262 1.00 0.00 H new ATOM 680 N SER A 70 -10.012 11.279 12.811 1.00 0.00 N ATOM 681 CA SER A 70 -10.794 12.486 13.004 1.00 0.00 C ATOM 682 C SER A 70 -10.484 13.480 11.889 1.00 0.00 C ATOM 683 O SER A 70 -9.345 13.576 11.432 1.00 0.00 O ATOM 684 CB SER A 70 -10.486 13.110 14.363 1.00 0.00 C ATOM 685 OG SER A 70 -10.445 12.121 15.382 1.00 0.00 O ATOM 0 H SER A 70 -9.156 11.238 13.364 1.00 0.00 H new ATOM 0 HA SER A 70 -11.853 12.230 12.975 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.530 13.631 14.319 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.244 13.855 14.605 1.00 0.00 H new ATOM 0 HG SER A 70 -10.244 12.546 16.242 1.00 0.00 H new ATOM 691 N VAL A 71 -11.495 14.215 11.460 1.00 0.00 N ATOM 692 CA VAL A 71 -11.346 15.155 10.359 1.00 0.00 C ATOM 693 C VAL A 71 -10.525 16.359 10.795 1.00 0.00 C ATOM 694 O VAL A 71 -10.932 17.114 11.679 1.00 0.00 O ATOM 695 CB VAL A 71 -12.712 15.642 9.833 1.00 0.00 C ATOM 696 CG1 VAL A 71 -12.542 16.426 8.539 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.664 14.475 9.638 1.00 0.00 C ATOM 0 H VAL A 71 -12.433 14.180 11.859 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.833 14.627 9.555 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.145 16.308 10.579 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.517 16.760 8.185 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.905 17.292 8.719 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.082 15.788 7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.620 14.844 9.267 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.240 13.776 8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.816 13.967 10.590 1.00 0.00 H new ATOM 707 N GLY A 72 -9.367 16.525 10.186 1.00 0.00 N ATOM 708 CA GLY A 72 -8.509 17.641 10.519 1.00 0.00 C ATOM 709 C GLY A 72 -7.415 17.248 11.487 1.00 0.00 C ATOM 710 O GLY A 72 -6.639 18.092 11.937 1.00 0.00 O ATOM 0 H GLY A 72 -9.002 15.905 9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.061 18.038 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.108 18.441 10.955 1.00 0.00 H new ATOM 714 N GLU A 73 -7.342 15.962 11.797 1.00 0.00 N ATOM 715 CA GLU A 73 -6.363 15.462 12.746 1.00 0.00 C ATOM 716 C GLU A 73 -5.083 15.060 12.022 1.00 0.00 C ATOM 717 O GLU A 73 -5.107 14.738 10.827 1.00 0.00 O ATOM 718 CB GLU A 73 -6.936 14.276 13.520 1.00 0.00 C ATOM 719 CG GLU A 73 -6.043 13.781 14.647 1.00 0.00 C ATOM 720 CD GLU A 73 -5.747 14.850 15.679 1.00 0.00 C ATOM 721 OE1 GLU A 73 -4.805 15.643 15.469 1.00 0.00 O ATOM 722 OE2 GLU A 73 -6.451 14.897 16.712 1.00 0.00 O ATOM 0 H GLU A 73 -7.952 15.245 11.403 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.124 16.255 13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.903 14.560 13.935 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.115 13.455 12.826 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.522 12.933 15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.105 13.419 14.227 1.00 0.00 H new ATOM 729 N VAL A 74 -3.975 15.082 12.744 1.00 0.00 N ATOM 730 CA VAL A 74 -2.678 14.754 12.175 1.00 0.00 C ATOM 731 C VAL A 74 -2.349 13.281 12.403 1.00 0.00 C ATOM 732 O VAL A 74 -2.255 12.822 13.541 1.00 0.00 O ATOM 733 CB VAL A 74 -1.562 15.634 12.779 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.219 15.330 12.136 1.00 0.00 C ATOM 735 CG2 VAL A 74 -1.907 17.105 12.632 1.00 0.00 C ATOM 0 H VAL A 74 -3.948 15.326 13.734 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.731 14.949 11.104 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.485 15.402 13.841 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.549 15.964 12.580 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.035 14.283 12.301 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.276 15.525 11.065 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.110 17.711 13.063 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.017 17.349 11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.842 17.313 13.152 1.00 0.00 H new ATOM 745 N ILE A 75 -2.184 12.549 11.316 1.00 0.00 N ATOM 746 CA ILE A 75 -1.841 11.140 11.390 1.00 0.00 C ATOM 747 C ILE A 75 -0.367 10.928 11.082 1.00 0.00 C ATOM 748 O ILE A 75 0.312 11.827 10.583 1.00 0.00 O ATOM 749 CB ILE A 75 -2.699 10.289 10.436 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.585 10.805 9.000 1.00 0.00 C ATOM 751 CG2 ILE A 75 -4.141 10.296 10.909 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.327 9.958 7.987 1.00 0.00 C ATOM 0 H ILE A 75 -2.283 12.909 10.367 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.046 10.815 12.410 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.334 9.262 10.444 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.969 11.824 8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.532 10.849 8.722 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.748 9.694 10.234 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.196 9.880 11.915 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.516 11.319 10.919 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.200 10.386 6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.928 8.944 7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.387 9.934 8.239 1.00 0.00 H new ATOM 764 N ASN A 76 0.117 9.735 11.361 1.00 0.00 N ATOM 765 CA ASN A 76 1.537 9.439 11.275 1.00 0.00 C ATOM 766 C ASN A 76 1.800 8.323 10.268 1.00 0.00 C ATOM 767 O ASN A 76 1.520 7.160 10.531 1.00 0.00 O ATOM 768 CB ASN A 76 2.032 9.038 12.661 1.00 0.00 C ATOM 769 CG ASN A 76 3.504 8.712 12.699 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.311 9.324 12.004 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.853 7.733 13.515 1.00 0.00 N ATOM 0 H ASN A 76 -0.458 8.945 11.653 1.00 0.00 H new ATOM 0 HA ASN A 76 2.074 10.323 10.931 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.829 9.849 13.360 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.466 8.172 13.004 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.832 7.455 13.588 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.144 7.256 14.071 1.00 0.00 H new ATOM 778 N ILE A 77 2.341 8.683 9.122 1.00 0.00 N ATOM 779 CA ILE A 77 2.535 7.730 8.037 1.00 0.00 C ATOM 780 C ILE A 77 4.002 7.346 7.912 1.00 0.00 C ATOM 781 O ILE A 77 4.844 8.152 7.506 1.00 0.00 O ATOM 782 CB ILE A 77 2.035 8.310 6.696 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.580 8.773 6.830 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.163 7.269 5.590 1.00 0.00 C ATOM 785 CD1 ILE A 77 0.027 9.434 5.584 1.00 0.00 C ATOM 0 H ILE A 77 2.656 9.630 8.913 1.00 0.00 H new ATOM 0 HA ILE A 77 1.953 6.839 8.273 1.00 0.00 H new ATOM 0 HB ILE A 77 2.651 9.170 6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.042 7.914 7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.507 9.472 7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.807 7.691 4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.208 6.977 5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.566 6.393 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.006 9.733 5.759 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.624 10.314 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.065 8.731 4.752 1.00 0.00 H new ATOM 797 N THR A 78 4.300 6.116 8.281 1.00 0.00 N ATOM 798 CA THR A 78 5.640 5.584 8.148 1.00 0.00 C ATOM 799 C THR A 78 5.800 4.929 6.781 1.00 0.00 C ATOM 800 O THR A 78 5.125 3.947 6.475 1.00 0.00 O ATOM 801 CB THR A 78 5.937 4.554 9.256 1.00 0.00 C ATOM 802 OG1 THR A 78 5.659 5.134 10.542 1.00 0.00 O ATOM 803 CG2 THR A 78 7.387 4.099 9.201 1.00 0.00 C ATOM 0 H THR A 78 3.625 5.462 8.678 1.00 0.00 H new ATOM 0 HA THR A 78 6.348 6.407 8.245 1.00 0.00 H new ATOM 0 HB THR A 78 5.298 3.685 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.847 4.477 11.245 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.571 3.373 9.993 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.588 3.639 8.233 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.043 4.958 9.337 1.00 0.00 H new ATOM 811 N THR A 79 6.661 5.492 5.951 1.00 0.00 N ATOM 812 CA THR A 79 6.906 4.938 4.633 1.00 0.00 C ATOM 813 C THR A 79 8.322 4.387 4.547 1.00 0.00 C ATOM 814 O THR A 79 9.116 4.547 5.476 1.00 0.00 O ATOM 815 CB THR A 79 6.698 5.990 3.517 1.00 0.00 C ATOM 816 OG1 THR A 79 7.658 7.048 3.642 1.00 0.00 O ATOM 817 CG2 THR A 79 5.287 6.566 3.568 1.00 0.00 C ATOM 0 H THR A 79 7.200 6.330 6.167 1.00 0.00 H new ATOM 0 HA THR A 79 6.185 4.134 4.482 1.00 0.00 H new ATOM 0 HB THR A 79 6.837 5.493 2.557 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.093 6.993 4.519 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.166 7.303 2.774 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.561 5.764 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.124 7.044 4.534 1.00 0.00 H new ATOM 825 N ASP A 80 8.630 3.746 3.433 1.00 0.00 N ATOM 826 CA ASP A 80 9.962 3.199 3.199 1.00 0.00 C ATOM 827 C ASP A 80 11.016 4.304 3.149 1.00 0.00 C ATOM 828 O ASP A 80 12.166 4.098 3.536 1.00 0.00 O ATOM 829 CB ASP A 80 9.967 2.402 1.893 1.00 0.00 C ATOM 830 CG ASP A 80 11.362 2.032 1.424 1.00 0.00 C ATOM 831 OD1 ASP A 80 12.030 1.230 2.110 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.779 2.524 0.353 1.00 0.00 O ATOM 0 H ASP A 80 7.973 3.589 2.669 1.00 0.00 H new ATOM 0 HA ASP A 80 10.214 2.539 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.383 1.492 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.473 2.986 1.117 1.00 0.00 H new ATOM 837 N GLN A 81 10.609 5.485 2.700 1.00 0.00 N ATOM 838 CA GLN A 81 11.540 6.597 2.531 1.00 0.00 C ATOM 839 C GLN A 81 11.525 7.513 3.758 1.00 0.00 C ATOM 840 O GLN A 81 12.033 8.636 3.726 1.00 0.00 O ATOM 841 CB GLN A 81 11.191 7.382 1.261 1.00 0.00 C ATOM 842 CG GLN A 81 12.282 8.339 0.799 1.00 0.00 C ATOM 843 CD GLN A 81 13.594 7.637 0.477 1.00 0.00 C ATOM 844 OE1 GLN A 81 14.671 8.212 0.635 1.00 0.00 O ATOM 845 NE2 GLN A 81 13.517 6.394 0.021 1.00 0.00 N ATOM 0 H GLN A 81 9.644 5.698 2.447 1.00 0.00 H new ATOM 0 HA GLN A 81 12.548 6.195 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.978 6.676 0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.277 7.949 1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.937 8.875 -0.085 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.456 9.084 1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.607 5.950 -0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.368 5.882 -0.212 1.00 0.00 H new ATOM 854 N GLY A 82 10.949 7.026 4.842 1.00 0.00 N ATOM 855 CA GLY A 82 10.937 7.782 6.079 1.00 0.00 C ATOM 856 C GLY A 82 9.548 7.929 6.654 1.00 0.00 C ATOM 857 O GLY A 82 8.574 7.447 6.079 1.00 0.00 O ATOM 0 H GLY A 82 10.487 6.118 4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.578 7.288 6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.359 8.771 5.901 1.00 0.00 H new ATOM 861 N THR A 83 9.454 8.600 7.785 1.00 0.00 N ATOM 862 CA THR A 83 8.183 8.781 8.458 1.00 0.00 C ATOM 863 C THR A 83 7.731 10.237 8.368 1.00 0.00 C ATOM 864 O THR A 83 8.501 11.155 8.663 1.00 0.00 O ATOM 865 CB THR A 83 8.281 8.351 9.935 1.00 0.00 C ATOM 866 OG1 THR A 83 8.751 6.998 10.014 1.00 0.00 O ATOM 867 CG2 THR A 83 6.934 8.455 10.625 1.00 0.00 C ATOM 0 H THR A 83 10.247 9.031 8.259 1.00 0.00 H new ATOM 0 HA THR A 83 7.445 8.152 7.960 1.00 0.00 H new ATOM 0 HB THR A 83 8.981 9.019 10.438 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.814 6.728 10.954 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.033 8.145 11.665 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.583 9.486 10.585 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.216 7.808 10.121 1.00 0.00 H new ATOM 875 N PHE A 84 6.492 10.440 7.941 1.00 0.00 N ATOM 876 CA PHE A 84 5.934 11.777 7.799 1.00 0.00 C ATOM 877 C PHE A 84 4.598 11.847 8.526 1.00 0.00 C ATOM 878 O PHE A 84 3.915 10.836 8.673 1.00 0.00 O ATOM 879 CB PHE A 84 5.712 12.125 6.323 1.00 0.00 C ATOM 880 CG PHE A 84 6.873 11.804 5.418 1.00 0.00 C ATOM 881 CD1 PHE A 84 7.914 12.703 5.252 1.00 0.00 C ATOM 882 CD2 PHE A 84 6.917 10.599 4.731 1.00 0.00 C ATOM 883 CE1 PHE A 84 8.974 12.410 4.415 1.00 0.00 C ATOM 884 CE2 PHE A 84 7.974 10.301 3.895 1.00 0.00 C ATOM 885 CZ PHE A 84 9.006 11.206 3.739 1.00 0.00 C ATOM 0 H PHE A 84 5.850 9.689 7.685 1.00 0.00 H new ATOM 0 HA PHE A 84 6.639 12.489 8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.832 11.590 5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.491 13.189 6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.897 13.643 5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.115 9.886 4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.777 13.122 4.290 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.994 9.361 3.363 1.00 0.00 H new ATOM 0 HZ PHE A 84 9.837 10.972 3.089 1.00 0.00 H new ATOM 895 N HIS A 85 4.225 13.029 8.985 1.00 0.00 N ATOM 896 CA HIS A 85 2.912 13.212 9.575 1.00 0.00 C ATOM 897 C HIS A 85 2.038 14.044 8.651 1.00 0.00 C ATOM 898 O HIS A 85 2.467 15.073 8.133 1.00 0.00 O ATOM 899 CB HIS A 85 2.991 13.828 10.982 1.00 0.00 C ATOM 900 CG HIS A 85 3.711 15.143 11.080 1.00 0.00 C ATOM 901 ND1 HIS A 85 4.947 15.275 11.672 1.00 0.00 N ATOM 902 CD2 HIS A 85 3.345 16.391 10.702 1.00 0.00 C ATOM 903 CE1 HIS A 85 5.307 16.544 11.657 1.00 0.00 C ATOM 904 NE2 HIS A 85 4.352 17.247 11.074 1.00 0.00 N ATOM 0 H HIS A 85 4.806 13.867 8.961 1.00 0.00 H new ATOM 0 HA HIS A 85 2.456 12.229 9.694 1.00 0.00 H new ATOM 0 HB2 HIS A 85 1.976 13.962 11.357 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.484 13.115 11.643 1.00 0.00 H new ATOM 0 HD2 HIS A 85 2.428 16.663 10.200 1.00 0.00 H new ATOM 0 HE1 HIS A 85 6.229 16.942 12.055 1.00 0.00 H new ATOM 0 HE2 HIS A 85 4.361 18.256 10.925 1.00 0.00 H new ATOM 913 N LEU A 86 0.821 13.586 8.443 1.00 0.00 N ATOM 914 CA LEU A 86 -0.085 14.220 7.503 1.00 0.00 C ATOM 915 C LEU A 86 -1.321 14.708 8.233 1.00 0.00 C ATOM 916 O LEU A 86 -1.867 14.012 9.081 1.00 0.00 O ATOM 917 CB LEU A 86 -0.474 13.221 6.407 1.00 0.00 C ATOM 918 CG LEU A 86 -1.020 13.807 5.094 1.00 0.00 C ATOM 919 CD1 LEU A 86 -0.914 12.784 3.977 1.00 0.00 C ATOM 920 CD2 LEU A 86 -2.469 14.245 5.239 1.00 0.00 C ATOM 0 H LEU A 86 0.432 12.770 8.916 1.00 0.00 H new ATOM 0 HA LEU A 86 0.410 15.074 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.403 12.618 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.225 12.545 6.815 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.417 14.682 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.304 13.212 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.131 12.507 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.492 11.898 4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.822 14.654 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.082 13.387 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.543 15.008 6.014 1.00 0.00 H new ATOM 932 N LYS A 87 -1.758 15.896 7.893 1.00 0.00 N ATOM 933 CA LYS A 87 -2.945 16.473 8.501 1.00 0.00 C ATOM 934 C LYS A 87 -4.134 16.258 7.579 1.00 0.00 C ATOM 935 O LYS A 87 -4.144 16.750 6.450 1.00 0.00 O ATOM 936 CB LYS A 87 -2.742 17.964 8.771 1.00 0.00 C ATOM 937 CG LYS A 87 -3.917 18.618 9.481 1.00 0.00 C ATOM 938 CD LYS A 87 -3.692 20.109 9.657 1.00 0.00 C ATOM 939 CE LYS A 87 -4.843 20.769 10.398 1.00 0.00 C ATOM 940 NZ LYS A 87 -4.978 20.259 11.789 1.00 0.00 N ATOM 0 H LYS A 87 -1.310 16.490 7.195 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.133 15.982 9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.844 18.097 9.374 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.569 18.476 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.830 18.450 8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.061 18.152 10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.764 20.275 10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.573 20.577 8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.688 21.848 10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.772 20.592 9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.658 20.849 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.318 19.276 11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.053 20.295 12.263 1.00 0.00 H new ATOM 954 N THR A 88 -5.118 15.509 8.048 1.00 0.00 N ATOM 955 CA THR A 88 -6.264 15.179 7.221 1.00 0.00 C ATOM 956 C THR A 88 -7.092 16.416 6.912 1.00 0.00 C ATOM 957 O THR A 88 -7.345 17.247 7.784 1.00 0.00 O ATOM 958 CB THR A 88 -7.154 14.111 7.883 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.387 14.448 9.257 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.509 12.738 7.784 1.00 0.00 C ATOM 0 H THR A 88 -5.146 15.121 8.991 1.00 0.00 H new ATOM 0 HA THR A 88 -5.874 14.772 6.288 1.00 0.00 H new ATOM 0 HB THR A 88 -8.108 14.082 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.546 14.386 9.756 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.154 11.998 8.258 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.367 12.477 6.735 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.543 12.753 8.288 1.00 0.00 H new ATOM 968 N GLY A 89 -7.486 16.544 5.661 1.00 0.00 N ATOM 969 CA GLY A 89 -8.328 17.642 5.267 1.00 0.00 C ATOM 970 C GLY A 89 -9.769 17.211 5.173 1.00 0.00 C ATOM 971 O GLY A 89 -10.164 16.218 5.783 1.00 0.00 O ATOM 0 H GLY A 89 -7.236 15.903 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.234 18.454 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.997 18.031 4.304 1.00 0.00 H new ATOM 1101 N ALA A 98 -12.503 12.943 6.791 1.00 0.00 N ATOM 1102 CA ALA A 98 -11.059 12.941 7.026 1.00 0.00 C ATOM 1103 C ALA A 98 -10.330 12.470 5.770 1.00 0.00 C ATOM 1104 O ALA A 98 -10.194 11.272 5.534 1.00 0.00 O ATOM 1105 CB ALA A 98 -10.713 12.044 8.207 1.00 0.00 C ATOM 0 HA ALA A 98 -10.739 13.956 7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.635 12.054 8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -11.217 12.410 9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.039 11.025 7.998 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.886 13.409 4.950 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.336 13.061 3.650 1.00 0.00 C ATOM 1113 C TYR A 99 -7.841 13.340 3.573 1.00 0.00 C ATOM 1114 O TYR A 99 -7.377 14.434 3.895 1.00 0.00 O ATOM 1115 CB TYR A 99 -10.073 13.825 2.545 1.00 0.00 C ATOM 1116 CG TYR A 99 -9.773 13.318 1.151 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -10.303 12.114 0.708 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -8.961 14.037 0.280 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -10.033 11.636 -0.559 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -8.687 13.566 -0.991 1.00 0.00 C ATOM 1121 CZ TYR A 99 -9.226 12.364 -1.405 1.00 0.00 C ATOM 1122 OH TYR A 99 -8.953 11.883 -2.667 1.00 0.00 O ATOM 0 H TYR A 99 -9.895 14.408 5.158 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.478 11.990 3.508 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -11.146 13.758 2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.805 14.880 2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.938 11.540 1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -8.538 14.977 0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -10.453 10.696 -0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -8.055 14.135 -1.656 1.00 0.00 H new ATOM 0 HH TYR A 99 -8.370 12.514 -3.139 1.00 0.00 H new ATOM 1132 N MET A 100 -7.094 12.334 3.143 1.00 0.00 N ATOM 1133 CA MET A 100 -5.665 12.477 2.903 1.00 0.00 C ATOM 1134 C MET A 100 -5.432 12.809 1.432 1.00 0.00 C ATOM 1135 O MET A 100 -6.113 12.271 0.559 1.00 0.00 O ATOM 1136 CB MET A 100 -4.924 11.193 3.304 1.00 0.00 C ATOM 1137 CG MET A 100 -5.406 9.948 2.576 1.00 0.00 C ATOM 1138 SD MET A 100 -4.719 8.429 3.264 1.00 0.00 S ATOM 1139 CE MET A 100 -5.428 8.449 4.911 1.00 0.00 C ATOM 0 H MET A 100 -7.458 11.401 2.951 1.00 0.00 H new ATOM 0 HA MET A 100 -5.272 13.290 3.513 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.859 11.325 3.111 1.00 0.00 H new ATOM 0 HB3 MET A 100 -5.037 11.041 4.377 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.494 9.903 2.623 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.135 10.020 1.523 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.483 7.431 5.296 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.803 9.052 5.569 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.430 8.876 4.871 1.00 0.00 H new ATOM 1149 N GLY A 101 -4.471 13.683 1.163 1.00 0.00 N ATOM 1150 CA GLY A 101 -4.296 14.218 -0.178 1.00 0.00 C ATOM 1151 C GLY A 101 -3.465 13.338 -1.096 1.00 0.00 C ATOM 1152 O GLY A 101 -2.699 13.843 -1.915 1.00 0.00 O ATOM 0 H GLY A 101 -3.805 14.034 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.277 14.369 -0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.824 15.198 -0.107 1.00 0.00 H new ATOM 1156 N ILE A 102 -3.617 12.026 -0.979 1.00 0.00 N ATOM 1157 CA ILE A 102 -2.893 11.101 -1.845 1.00 0.00 C ATOM 1158 C ILE A 102 -3.805 9.968 -2.295 1.00 0.00 C ATOM 1159 O ILE A 102 -4.794 9.648 -1.633 1.00 0.00 O ATOM 1160 CB ILE A 102 -1.643 10.484 -1.166 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.052 9.577 -0.004 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -0.694 11.573 -0.683 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -0.929 8.703 0.497 1.00 0.00 C ATOM 0 H ILE A 102 -4.231 11.579 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.558 11.691 -2.698 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.120 9.880 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.417 10.193 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.881 8.945 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.175 11.115 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.370 12.176 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.207 12.209 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.288 8.086 1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.579 8.061 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.108 9.330 0.844 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.482 9.397 -3.438 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.134 8.193 -3.917 1.00 0.00 C ATOM 1177 C ARG A 103 -3.314 6.997 -3.472 1.00 0.00 C ATOM 1178 O ARG A 103 -2.150 6.873 -3.846 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.239 8.216 -5.446 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.117 9.335 -5.978 1.00 0.00 C ATOM 1181 CD ARG A 103 -5.019 9.455 -7.492 1.00 0.00 C ATOM 1182 NE ARG A 103 -5.590 8.304 -8.190 1.00 0.00 N ATOM 1183 CZ ARG A 103 -5.007 7.693 -9.222 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -3.793 8.058 -9.620 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -5.634 6.706 -9.852 1.00 0.00 N ATOM 0 H ARG A 103 -2.759 9.755 -4.062 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.142 8.131 -3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.240 8.317 -5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.635 7.260 -5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.153 9.151 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.823 10.278 -5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.533 10.361 -7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.972 9.564 -7.776 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.489 7.947 -7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.302 8.809 -9.135 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.352 7.587 -10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.563 6.415 -9.547 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -5.187 6.239 -10.641 1.00 0.00 H new ATOM 1199 N THR A 104 -3.890 6.144 -2.651 1.00 0.00 N ATOM 1200 CA THR A 104 -3.163 4.998 -2.144 1.00 0.00 C ATOM 1201 C THR A 104 -3.717 3.713 -2.728 1.00 0.00 C ATOM 1202 O THR A 104 -4.931 3.528 -2.834 1.00 0.00 O ATOM 1203 CB THR A 104 -3.231 4.910 -0.621 1.00 0.00 C ATOM 1204 OG1 THR A 104 -3.367 6.225 -0.062 1.00 0.00 O ATOM 1205 CG2 THR A 104 -1.981 4.243 -0.066 1.00 0.00 C ATOM 0 H THR A 104 -4.852 6.221 -2.322 1.00 0.00 H new ATOM 0 HA THR A 104 -2.123 5.128 -2.443 1.00 0.00 H new ATOM 0 HB THR A 104 -4.098 4.308 -0.348 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.171 6.194 0.898 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.049 4.190 1.021 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.894 3.236 -0.474 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.103 4.825 -0.347 1.00 0.00 H new ATOM 1213 N SER A 105 -2.823 2.834 -3.109 1.00 0.00 N ATOM 1214 CA SER A 105 -3.184 1.564 -3.710 1.00 0.00 C ATOM 1215 C SER A 105 -2.050 0.573 -3.518 1.00 0.00 C ATOM 1216 O SER A 105 -0.937 0.964 -3.194 1.00 0.00 O ATOM 1217 CB SER A 105 -3.460 1.739 -5.209 1.00 0.00 C ATOM 1218 OG SER A 105 -4.419 2.756 -5.451 1.00 0.00 O ATOM 0 H SER A 105 -1.818 2.976 -3.012 1.00 0.00 H new ATOM 0 HA SER A 105 -4.087 1.191 -3.227 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.531 1.985 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.816 0.797 -5.626 1.00 0.00 H new ATOM 0 HG SER A 105 -4.569 2.841 -6.416 1.00 0.00 H new ATOM 1224 N ASN A 106 -2.331 -0.701 -3.714 1.00 0.00 N ATOM 1225 CA ASN A 106 -1.281 -1.711 -3.791 1.00 0.00 C ATOM 1226 C ASN A 106 -0.668 -1.680 -5.189 1.00 0.00 C ATOM 1227 O ASN A 106 0.379 -2.273 -5.451 1.00 0.00 O ATOM 1228 CB ASN A 106 -1.847 -3.102 -3.466 1.00 0.00 C ATOM 1229 CG ASN A 106 -3.129 -3.417 -4.221 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -3.330 -2.985 -5.356 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -4.022 -4.159 -3.584 1.00 0.00 N ATOM 0 H ASN A 106 -3.277 -1.066 -3.823 1.00 0.00 H new ATOM 0 HA ASN A 106 -0.506 -1.494 -3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.098 -3.857 -3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.038 -3.169 -2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.908 -4.389 -4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.823 -4.501 -2.644 1.00 0.00 H new