USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 69 THR OG1 : rot 180:sc= -1.22 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.253 K(o=-1.5,f=-2.7!) USER MOD Single : A 9 SER OG : rot -138:sc= 0.103 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0733 USER MOD Single : A 18 THR OG1 : rot 76:sc= 1.1 USER MOD Single : A 19 SER OG : rot 180:sc= -0.8 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 138:sc= -0.0647 (180deg=-2.64) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.935 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 67:sc= 0.832 USER MOD Single : A 54 SER OG : rot 126:sc= 0.947 USER MOD Single : A 58 THR OG1 : rot 149:sc= -0.305 USER MOD Single : A 59 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.26) USER MOD Single : A 65 ASN : amide:sc= -0.0395 X(o=-0.04,f=-0.19) USER MOD Single : A 68 GLN : amide:sc= -2.7 X(o=-2.7,f=-3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -10.5! C(o=-14!,f=-10!) USER MOD Single : A 79 SER OG : rot 129:sc= -0.139 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -11.869 -15.488 2.658 1.00 0.00 N ATOM 93 CA SER A 9 -10.872 -14.773 3.436 1.00 0.00 C ATOM 94 C SER A 9 -10.196 -13.709 2.568 1.00 0.00 C ATOM 95 O SER A 9 -9.316 -14.023 1.768 1.00 0.00 O ATOM 96 CB SER A 9 -9.828 -15.732 4.009 1.00 0.00 C ATOM 97 OG SER A 9 -10.203 -16.225 5.293 1.00 0.00 O ATOM 0 HA SER A 9 -11.375 -14.286 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.691 -16.570 3.325 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.868 -15.221 4.083 1.00 0.00 H new ATOM 0 HG SER A 9 -9.419 -16.234 5.881 1.00 0.00 H new ATOM 103 N LYS A 10 -10.632 -12.472 2.756 1.00 0.00 N ATOM 104 CA LYS A 10 -10.080 -11.361 2.000 1.00 0.00 C ATOM 105 C LYS A 10 -9.680 -10.243 2.965 1.00 0.00 C ATOM 106 O LYS A 10 -10.081 -10.249 4.128 1.00 0.00 O ATOM 107 CB LYS A 10 -11.059 -10.914 0.913 1.00 0.00 C ATOM 108 CG LYS A 10 -10.525 -11.258 -0.480 1.00 0.00 C ATOM 109 CD LYS A 10 -11.659 -11.698 -1.408 1.00 0.00 C ATOM 110 CE LYS A 10 -11.737 -10.800 -2.643 1.00 0.00 C ATOM 111 NZ LYS A 10 -13.146 -10.591 -3.045 1.00 0.00 N ATOM 0 H LYS A 10 -11.361 -12.215 3.421 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.176 -11.669 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.024 -11.397 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.225 -9.839 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.019 -10.391 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.784 -12.053 -0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.502 -12.732 -1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.607 -11.666 -0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.267 -9.840 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.182 -11.253 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.180 -9.979 -3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.583 -11.508 -3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.666 -10.139 -2.266 1.00 0.00 H new ATOM 125 N VAL A 11 -8.895 -9.310 2.446 1.00 0.00 N ATOM 126 CA VAL A 11 -8.436 -8.188 3.247 1.00 0.00 C ATOM 127 C VAL A 11 -8.562 -6.900 2.432 1.00 0.00 C ATOM 128 O VAL A 11 -8.164 -6.856 1.269 1.00 0.00 O ATOM 129 CB VAL A 11 -7.012 -8.446 3.742 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.006 -9.442 4.903 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.114 -8.928 2.601 1.00 0.00 C ATOM 0 H VAL A 11 -8.565 -9.308 1.481 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.058 -8.073 4.135 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.609 -7.502 4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.981 -9.607 5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.595 -9.042 5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.437 -10.387 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.107 -9.104 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.514 -9.855 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.080 -8.169 1.819 1.00 0.00 H new ATOM 141 N SER A 12 -9.117 -5.882 3.073 1.00 0.00 N ATOM 142 CA SER A 12 -9.300 -4.596 2.422 1.00 0.00 C ATOM 143 C SER A 12 -8.203 -3.626 2.862 1.00 0.00 C ATOM 144 O SER A 12 -7.898 -3.525 4.049 1.00 0.00 O ATOM 145 CB SER A 12 -10.680 -4.013 2.732 1.00 0.00 C ATOM 146 OG SER A 12 -10.688 -3.281 3.955 1.00 0.00 O ATOM 0 H SER A 12 -9.446 -5.922 4.038 1.00 0.00 H new ATOM 0 HA SER A 12 -9.233 -4.746 1.344 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.989 -3.359 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.410 -4.820 2.788 1.00 0.00 H new ATOM 0 HG SER A 12 -11.586 -2.924 4.116 1.00 0.00 H new ATOM 152 N PHE A 13 -7.639 -2.936 1.881 1.00 0.00 N ATOM 153 CA PHE A 13 -6.581 -1.977 2.152 1.00 0.00 C ATOM 154 C PHE A 13 -7.032 -0.554 1.816 1.00 0.00 C ATOM 155 O PHE A 13 -7.578 -0.310 0.741 1.00 0.00 O ATOM 156 CB PHE A 13 -5.399 -2.350 1.256 1.00 0.00 C ATOM 157 CG PHE A 13 -5.064 -3.843 1.257 1.00 0.00 C ATOM 158 CD1 PHE A 13 -5.838 -4.714 0.555 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.992 -4.299 1.958 1.00 0.00 C ATOM 160 CE1 PHE A 13 -5.528 -6.100 0.556 1.00 0.00 C ATOM 161 CE2 PHE A 13 -3.681 -5.685 1.959 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.456 -6.556 1.258 1.00 0.00 C ATOM 0 H PHE A 13 -7.895 -3.022 0.897 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.315 -2.005 3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.618 -2.038 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.521 -1.791 1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.688 -4.351 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.377 -3.607 2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.143 -6.792 -0.000 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.830 -6.047 2.516 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.220 -7.610 1.259 1.00 0.00 H new ATOM 172 N LYS A 14 -6.787 0.347 2.755 1.00 0.00 N ATOM 173 CA LYS A 14 -7.161 1.739 2.571 1.00 0.00 C ATOM 174 C LYS A 14 -5.899 2.577 2.354 1.00 0.00 C ATOM 175 O LYS A 14 -5.254 2.995 3.314 1.00 0.00 O ATOM 176 CB LYS A 14 -8.025 2.220 3.738 1.00 0.00 C ATOM 177 CG LYS A 14 -8.807 3.480 3.359 1.00 0.00 C ATOM 178 CD LYS A 14 -10.087 3.600 4.188 1.00 0.00 C ATOM 179 CE LYS A 14 -11.235 2.823 3.541 1.00 0.00 C ATOM 180 NZ LYS A 14 -11.736 1.777 4.461 1.00 0.00 N ATOM 0 H LYS A 14 -6.334 0.141 3.645 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.778 1.853 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.718 1.432 4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.393 2.426 4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.184 4.360 3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.057 3.452 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.909 3.222 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.364 4.650 4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.044 3.506 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.895 2.366 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.515 1.259 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.966 1.116 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.080 2.220 5.337 1.00 0.00 H new ATOM 194 N ILE A 15 -5.585 2.799 1.086 1.00 0.00 N ATOM 195 CA ILE A 15 -4.413 3.580 0.730 1.00 0.00 C ATOM 196 C ILE A 15 -4.857 4.896 0.088 1.00 0.00 C ATOM 197 O ILE A 15 -5.884 4.945 -0.587 1.00 0.00 O ATOM 198 CB ILE A 15 -3.466 2.757 -0.146 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.217 1.375 0.464 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.162 3.513 -0.405 1.00 0.00 C ATOM 201 CD1 ILE A 15 -3.295 0.283 -0.604 1.00 0.00 C ATOM 0 H ILE A 15 -6.123 2.451 0.292 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.842 3.837 1.622 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.944 2.601 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.236 1.355 0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.953 1.180 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.507 2.906 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.381 4.452 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.667 3.721 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.114 -0.689 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.285 0.290 -1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.541 0.468 -1.369 1.00 0.00 H new ATOM 213 N THR A 16 -4.061 5.929 0.322 1.00 0.00 N ATOM 214 CA THR A 16 -4.359 7.242 -0.225 1.00 0.00 C ATOM 215 C THR A 16 -3.120 7.833 -0.899 1.00 0.00 C ATOM 216 O THR A 16 -2.061 7.934 -0.280 1.00 0.00 O ATOM 217 CB THR A 16 -4.909 8.112 0.907 1.00 0.00 C ATOM 218 OG1 THR A 16 -5.807 7.251 1.602 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.801 9.245 0.395 1.00 0.00 C ATOM 0 H THR A 16 -3.210 5.883 0.883 1.00 0.00 H new ATOM 0 HA THR A 16 -5.117 7.182 -1.006 1.00 0.00 H new ATOM 0 HB THR A 16 -4.080 8.532 1.477 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.208 7.735 2.354 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.165 9.831 1.239 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.226 9.887 -0.272 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.648 8.825 -0.147 1.00 0.00 H new ATOM 227 N LEU A 17 -3.292 8.208 -2.158 1.00 0.00 N ATOM 228 CA LEU A 17 -2.200 8.786 -2.922 1.00 0.00 C ATOM 229 C LEU A 17 -1.740 10.080 -2.247 1.00 0.00 C ATOM 230 O LEU A 17 -2.456 11.080 -2.261 1.00 0.00 O ATOM 231 CB LEU A 17 -2.608 8.968 -4.386 1.00 0.00 C ATOM 232 CG LEU A 17 -1.468 9.226 -5.373 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.366 8.175 -5.225 1.00 0.00 C ATOM 234 CD2 LEU A 17 -1.992 9.309 -6.808 1.00 0.00 C ATOM 0 H LEU A 17 -4.171 8.123 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.345 8.111 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.144 8.075 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.309 9.800 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.025 10.193 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.432 8.382 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.035 8.208 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.779 7.185 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.161 9.493 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.477 8.370 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.712 10.124 -6.886 1.00 0.00 H new ATOM 246 N THR A 18 -0.547 10.019 -1.673 1.00 0.00 N ATOM 247 CA THR A 18 0.017 11.173 -0.994 1.00 0.00 C ATOM 248 C THR A 18 0.923 11.959 -1.944 1.00 0.00 C ATOM 249 O THR A 18 2.147 11.882 -1.845 1.00 0.00 O ATOM 250 CB THR A 18 0.737 10.677 0.262 1.00 0.00 C ATOM 251 OG1 THR A 18 1.949 10.114 -0.232 1.00 0.00 O ATOM 252 CG2 THR A 18 0.019 9.498 0.921 1.00 0.00 C ATOM 0 H THR A 18 0.044 9.188 -1.664 1.00 0.00 H new ATOM 0 HA THR A 18 -0.761 11.871 -0.685 1.00 0.00 H new ATOM 0 HB THR A 18 0.824 11.495 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.569 10.833 -0.473 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.571 9.185 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.988 9.800 1.209 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.038 8.668 0.217 1.00 0.00 H new ATOM 260 N SER A 19 0.287 12.698 -2.841 1.00 0.00 N ATOM 261 CA SER A 19 1.021 13.498 -3.807 1.00 0.00 C ATOM 262 C SER A 19 0.156 14.668 -4.281 1.00 0.00 C ATOM 263 O SER A 19 0.463 15.825 -3.999 1.00 0.00 O ATOM 264 CB SER A 19 1.466 12.650 -5.000 1.00 0.00 C ATOM 265 OG SER A 19 0.389 11.899 -5.553 1.00 0.00 O ATOM 0 H SER A 19 -0.728 12.760 -2.919 1.00 0.00 H new ATOM 0 HA SER A 19 1.915 13.888 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.888 13.298 -5.768 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.258 11.970 -4.686 1.00 0.00 H new ATOM 0 HG SER A 19 0.714 11.372 -6.313 1.00 0.00 H new ATOM 271 N ASP A 20 -0.907 14.326 -4.994 1.00 0.00 N ATOM 272 CA ASP A 20 -1.818 15.334 -5.510 1.00 0.00 C ATOM 273 C ASP A 20 -2.666 15.884 -4.362 1.00 0.00 C ATOM 274 O ASP A 20 -2.946 15.175 -3.397 1.00 0.00 O ATOM 275 CB ASP A 20 -2.765 14.737 -6.553 1.00 0.00 C ATOM 276 CG ASP A 20 -2.823 15.494 -7.882 1.00 0.00 C ATOM 277 OD1 ASP A 20 -1.734 15.860 -8.374 1.00 0.00 O ATOM 278 OD2 ASP A 20 -3.954 15.689 -8.375 1.00 0.00 O ATOM 0 H ASP A 20 -1.158 13.365 -5.227 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.223 16.122 -5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.462 13.709 -6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.769 14.698 -6.130 1.00 0.00 H new ATOM 283 N PRO A 21 -3.060 17.178 -4.508 1.00 0.00 N ATOM 284 CA PRO A 21 -3.870 17.832 -3.495 1.00 0.00 C ATOM 285 C PRO A 21 -5.320 17.347 -3.555 1.00 0.00 C ATOM 286 O PRO A 21 -6.202 18.070 -4.017 1.00 0.00 O ATOM 287 CB PRO A 21 -3.729 19.319 -3.778 1.00 0.00 C ATOM 288 CG PRO A 21 -3.227 19.425 -5.209 1.00 0.00 C ATOM 289 CD PRO A 21 -2.746 18.048 -5.637 1.00 0.00 C ATOM 0 HA PRO A 21 -3.543 17.600 -2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.684 19.831 -3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.030 19.784 -3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.022 19.773 -5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.416 20.151 -5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.251 17.717 -6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.677 18.050 -5.850 1.00 0.00 H new ATOM 297 N ARG A 22 -5.522 16.127 -3.081 1.00 0.00 N ATOM 298 CA ARG A 22 -6.850 15.536 -3.075 1.00 0.00 C ATOM 299 C ARG A 22 -6.914 14.385 -2.069 1.00 0.00 C ATOM 300 O ARG A 22 -7.885 14.260 -1.324 1.00 0.00 O ATOM 301 CB ARG A 22 -7.227 15.014 -4.462 1.00 0.00 C ATOM 302 CG ARG A 22 -7.532 16.169 -5.418 1.00 0.00 C ATOM 303 CD ARG A 22 -8.405 15.700 -6.584 1.00 0.00 C ATOM 304 NE ARG A 22 -9.808 16.117 -6.366 1.00 0.00 N ATOM 305 CZ ARG A 22 -10.809 15.862 -7.220 1.00 0.00 C ATOM 306 NH1 ARG A 22 -10.568 15.190 -8.353 1.00 0.00 N ATOM 307 NH2 ARG A 22 -12.051 16.280 -6.940 1.00 0.00 N ATOM 0 H ARG A 22 -4.788 15.531 -2.698 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.558 16.314 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.411 14.412 -4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.097 14.362 -4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.039 16.968 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.600 16.585 -5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.033 16.120 -7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.350 14.615 -6.677 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.027 16.631 -5.512 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.623 14.872 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.330 14.996 -9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.234 16.792 -6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.813 16.086 -7.590 1.00 0.00 H new ATOM 321 N LEU A 23 -5.868 13.573 -2.080 1.00 0.00 N ATOM 322 CA LEU A 23 -5.793 12.436 -1.178 1.00 0.00 C ATOM 323 C LEU A 23 -6.875 11.421 -1.554 1.00 0.00 C ATOM 324 O LEU A 23 -7.806 11.187 -0.784 1.00 0.00 O ATOM 325 CB LEU A 23 -5.865 12.901 0.277 1.00 0.00 C ATOM 326 CG LEU A 23 -4.538 13.321 0.914 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.590 12.127 1.044 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.901 14.477 0.140 1.00 0.00 C ATOM 0 H LEU A 23 -5.065 13.680 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.832 11.931 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.555 13.743 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.293 12.096 0.874 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.742 13.681 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.655 12.453 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.051 11.363 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.388 11.714 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.960 14.756 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.713 14.167 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.576 15.333 0.143 1.00 0.00 H new ATOM 340 N PRO A 24 -6.713 10.830 -2.768 1.00 0.00 N ATOM 341 CA PRO A 24 -7.664 9.846 -3.255 1.00 0.00 C ATOM 342 C PRO A 24 -7.481 8.506 -2.539 1.00 0.00 C ATOM 343 O PRO A 24 -6.406 7.910 -2.595 1.00 0.00 O ATOM 344 CB PRO A 24 -7.411 9.760 -4.751 1.00 0.00 C ATOM 345 CG PRO A 24 -6.026 10.347 -4.973 1.00 0.00 C ATOM 346 CD PRO A 24 -5.623 11.082 -3.706 1.00 0.00 C ATOM 0 HA PRO A 24 -8.698 10.126 -3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.458 8.727 -5.096 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.165 10.317 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.309 9.558 -5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.032 11.028 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.674 10.712 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.498 12.149 -3.890 1.00 0.00 H new ATOM 354 N TYR A 25 -8.547 8.071 -1.884 1.00 0.00 N ATOM 355 CA TYR A 25 -8.517 6.812 -1.158 1.00 0.00 C ATOM 356 C TYR A 25 -8.772 5.632 -2.098 1.00 0.00 C ATOM 357 O TYR A 25 -9.418 5.786 -3.133 1.00 0.00 O ATOM 358 CB TYR A 25 -9.652 6.888 -0.135 1.00 0.00 C ATOM 359 CG TYR A 25 -11.020 6.489 -0.692 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.821 7.435 -1.300 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.454 5.183 -0.588 1.00 0.00 C ATOM 362 CE1 TYR A 25 -13.108 7.060 -1.824 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.741 4.808 -1.112 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.505 5.765 -1.705 1.00 0.00 C ATOM 365 OH TYR A 25 -14.721 5.410 -2.200 1.00 0.00 O ATOM 0 H TYR A 25 -9.437 8.567 -1.841 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.544 6.661 -0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.411 6.240 0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.711 7.905 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.482 8.457 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.828 4.442 -0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.744 7.791 -2.301 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.092 3.790 -1.036 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.871 4.454 -2.045 1.00 0.00 H new ATOM 375 N LYS A 26 -8.251 4.479 -1.703 1.00 0.00 N ATOM 376 CA LYS A 26 -8.414 3.273 -2.497 1.00 0.00 C ATOM 377 C LYS A 26 -8.796 2.111 -1.579 1.00 0.00 C ATOM 378 O LYS A 26 -8.343 2.042 -0.437 1.00 0.00 O ATOM 379 CB LYS A 26 -7.161 3.009 -3.334 1.00 0.00 C ATOM 380 CG LYS A 26 -7.511 2.871 -4.817 1.00 0.00 C ATOM 381 CD LYS A 26 -7.782 1.410 -5.183 1.00 0.00 C ATOM 382 CE LYS A 26 -6.506 0.720 -5.666 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.755 0.158 -4.521 1.00 0.00 N ATOM 0 H LYS A 26 -7.716 4.355 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.227 3.395 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.451 3.825 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.672 2.099 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.389 3.476 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.692 3.256 -5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.179 0.882 -4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.543 1.362 -5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.759 -0.075 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.881 1.433 -6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.396 -0.786 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.956 0.782 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.384 0.082 -3.697 1.00 0.00 H new ATOM 397 N VAL A 27 -9.626 1.226 -2.111 1.00 0.00 N ATOM 398 CA VAL A 27 -10.074 0.070 -1.353 1.00 0.00 C ATOM 399 C VAL A 27 -9.952 -1.183 -2.223 1.00 0.00 C ATOM 400 O VAL A 27 -10.845 -1.484 -3.013 1.00 0.00 O ATOM 401 CB VAL A 27 -11.494 0.302 -0.835 1.00 0.00 C ATOM 402 CG1 VAL A 27 -12.064 -0.972 -0.207 1.00 0.00 C ATOM 403 CG2 VAL A 27 -11.533 1.467 0.155 1.00 0.00 C ATOM 0 H VAL A 27 -10.000 1.286 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.444 -0.080 -0.477 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.122 0.565 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.075 -0.779 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.090 -1.766 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.434 -1.280 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.554 1.611 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.884 1.246 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.189 2.376 -0.339 1.00 0.00 H new ATOM 413 N LEU A 28 -8.839 -1.880 -2.048 1.00 0.00 N ATOM 414 CA LEU A 28 -8.588 -3.094 -2.807 1.00 0.00 C ATOM 415 C LEU A 28 -8.974 -4.308 -1.961 1.00 0.00 C ATOM 416 O LEU A 28 -8.791 -4.306 -0.744 1.00 0.00 O ATOM 417 CB LEU A 28 -7.142 -3.126 -3.305 1.00 0.00 C ATOM 418 CG LEU A 28 -6.790 -4.260 -4.270 1.00 0.00 C ATOM 419 CD1 LEU A 28 -7.277 -3.946 -5.686 1.00 0.00 C ATOM 420 CD2 LEU A 28 -5.291 -4.565 -4.233 1.00 0.00 C ATOM 0 H LEU A 28 -8.100 -1.627 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.209 -3.118 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.927 -2.177 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.482 -3.194 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.310 -5.161 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.014 -4.768 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.359 -3.817 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.805 -3.029 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.067 -5.375 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.731 -3.675 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.005 -4.863 -3.224 1.00 0.00 H new ATOM 432 N SER A 29 -9.503 -5.318 -2.637 1.00 0.00 N ATOM 433 CA SER A 29 -9.916 -6.536 -1.963 1.00 0.00 C ATOM 434 C SER A 29 -9.197 -7.742 -2.572 1.00 0.00 C ATOM 435 O SER A 29 -9.334 -8.013 -3.764 1.00 0.00 O ATOM 436 CB SER A 29 -11.432 -6.725 -2.046 1.00 0.00 C ATOM 437 OG SER A 29 -12.054 -6.621 -0.768 1.00 0.00 O ATOM 0 H SER A 29 -9.655 -5.317 -3.646 1.00 0.00 H new ATOM 0 HA SER A 29 -9.644 -6.453 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.854 -5.977 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.652 -7.701 -2.478 1.00 0.00 H new ATOM 0 HG SER A 29 -13.021 -6.746 -0.864 1.00 0.00 H new ATOM 443 N VAL A 30 -8.447 -8.432 -1.727 1.00 0.00 N ATOM 444 CA VAL A 30 -7.706 -9.602 -2.167 1.00 0.00 C ATOM 445 C VAL A 30 -7.637 -10.617 -1.024 1.00 0.00 C ATOM 446 O VAL A 30 -7.804 -10.258 0.140 1.00 0.00 O ATOM 447 CB VAL A 30 -6.327 -9.186 -2.681 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.427 -7.956 -3.585 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.362 -8.936 -1.520 1.00 0.00 C ATOM 0 H VAL A 30 -8.336 -8.204 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.216 -10.085 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.929 -10.008 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.433 -7.681 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.064 -8.183 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.856 -7.126 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.389 -8.642 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.753 -8.140 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.255 -9.848 -0.933 1.00 0.00 H new ATOM 459 N PRO A 31 -7.384 -11.897 -1.407 1.00 0.00 N ATOM 460 CA PRO A 31 -7.291 -12.966 -0.427 1.00 0.00 C ATOM 461 C PRO A 31 -5.967 -12.896 0.337 1.00 0.00 C ATOM 462 O PRO A 31 -4.895 -12.915 -0.268 1.00 0.00 O ATOM 463 CB PRO A 31 -7.447 -14.249 -1.228 1.00 0.00 C ATOM 464 CG PRO A 31 -7.157 -13.876 -2.673 1.00 0.00 C ATOM 465 CD PRO A 31 -7.181 -12.359 -2.776 1.00 0.00 C ATOM 0 HA PRO A 31 -8.058 -12.897 0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.756 -15.015 -0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.453 -14.655 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.186 -14.264 -2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.901 -14.316 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.248 -11.976 -3.189 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.983 -12.019 -3.431 1.00 0.00 H new ATOM 473 N GLU A 32 -6.084 -12.817 1.654 1.00 0.00 N ATOM 474 CA GLU A 32 -4.909 -12.744 2.507 1.00 0.00 C ATOM 475 C GLU A 32 -3.810 -13.667 1.977 1.00 0.00 C ATOM 476 O GLU A 32 -2.648 -13.273 1.899 1.00 0.00 O ATOM 477 CB GLU A 32 -5.262 -13.086 3.956 1.00 0.00 C ATOM 478 CG GLU A 32 -6.100 -14.364 4.029 1.00 0.00 C ATOM 479 CD GLU A 32 -6.474 -14.693 5.476 1.00 0.00 C ATOM 480 OE1 GLU A 32 -5.932 -14.009 6.371 1.00 0.00 O ATOM 481 OE2 GLU A 32 -7.293 -15.620 5.654 1.00 0.00 O ATOM 0 H GLU A 32 -6.974 -12.802 2.152 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.535 -11.720 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.348 -13.212 4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.813 -12.259 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.005 -14.244 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.542 -15.194 3.596 1.00 0.00 H new ATOM 488 N SER A 33 -4.217 -14.878 1.626 1.00 0.00 N ATOM 489 CA SER A 33 -3.282 -15.860 1.105 1.00 0.00 C ATOM 490 C SER A 33 -2.271 -15.181 0.179 1.00 0.00 C ATOM 491 O SER A 33 -1.129 -15.625 0.068 1.00 0.00 O ATOM 492 CB SER A 33 -4.014 -16.979 0.362 1.00 0.00 C ATOM 493 OG SER A 33 -5.157 -16.496 -0.338 1.00 0.00 O ATOM 0 H SER A 33 -5.182 -15.201 1.692 1.00 0.00 H new ATOM 0 HA SER A 33 -2.752 -16.306 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.331 -17.453 -0.343 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.322 -17.746 1.073 1.00 0.00 H new ATOM 0 HG SER A 33 -5.596 -17.240 -0.801 1.00 0.00 H new ATOM 499 N THR A 34 -2.727 -14.115 -0.462 1.00 0.00 N ATOM 500 CA THR A 34 -1.877 -13.370 -1.375 1.00 0.00 C ATOM 501 C THR A 34 -0.977 -12.406 -0.599 1.00 0.00 C ATOM 502 O THR A 34 -1.393 -11.839 0.410 1.00 0.00 O ATOM 503 CB THR A 34 -2.778 -12.672 -2.396 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.392 -13.743 -3.107 1.00 0.00 O ATOM 505 CG2 THR A 34 -1.979 -11.924 -3.466 1.00 0.00 C ATOM 0 H THR A 34 -3.674 -13.749 -0.367 1.00 0.00 H new ATOM 0 HA THR A 34 -1.201 -14.032 -1.916 1.00 0.00 H new ATOM 0 HB THR A 34 -3.438 -11.974 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.995 -13.380 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.665 -11.447 -4.165 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.358 -11.164 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.344 -12.628 -4.004 1.00 0.00 H new ATOM 513 N PRO A 35 0.272 -12.247 -1.113 1.00 0.00 N ATOM 514 CA PRO A 35 1.234 -11.361 -0.480 1.00 0.00 C ATOM 515 C PRO A 35 0.895 -9.895 -0.756 1.00 0.00 C ATOM 516 O PRO A 35 0.168 -9.590 -1.700 1.00 0.00 O ATOM 517 CB PRO A 35 2.583 -11.776 -1.046 1.00 0.00 C ATOM 518 CG PRO A 35 2.280 -12.558 -2.314 1.00 0.00 C ATOM 519 CD PRO A 35 0.799 -12.902 -2.306 1.00 0.00 C ATOM 0 HA PRO A 35 1.230 -11.444 0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.200 -10.904 -1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.135 -12.388 -0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.530 -11.968 -3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.883 -13.465 -2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.304 -12.541 -3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.643 -13.980 -2.267 1.00 0.00 H new ATOM 527 N PHE A 36 1.439 -9.027 0.084 1.00 0.00 N ATOM 528 CA PHE A 36 1.203 -7.600 -0.058 1.00 0.00 C ATOM 529 C PHE A 36 2.030 -7.019 -1.207 1.00 0.00 C ATOM 530 O PHE A 36 1.567 -6.133 -1.923 1.00 0.00 O ATOM 531 CB PHE A 36 1.640 -6.942 1.252 1.00 0.00 C ATOM 532 CG PHE A 36 0.845 -5.685 1.612 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.153 -4.495 1.029 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.169 -5.757 2.516 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.416 -3.329 1.363 1.00 0.00 C ATOM 536 CE2 PHE A 36 -0.906 -4.590 2.850 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.598 -3.401 2.267 1.00 0.00 C ATOM 0 H PHE A 36 2.042 -9.284 0.865 1.00 0.00 H new ATOM 0 HA PHE A 36 0.151 -7.417 -0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.542 -7.666 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.697 -6.684 1.182 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.959 -4.438 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.413 -6.701 2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.660 -2.385 0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.711 -4.647 3.567 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.158 -2.514 2.522 1.00 0.00 H new ATOM 547 N THR A 37 3.239 -7.543 -1.347 1.00 0.00 N ATOM 548 CA THR A 37 4.134 -7.088 -2.397 1.00 0.00 C ATOM 549 C THR A 37 3.376 -6.939 -3.717 1.00 0.00 C ATOM 550 O THR A 37 3.667 -6.042 -4.507 1.00 0.00 O ATOM 551 CB THR A 37 5.307 -8.068 -2.476 1.00 0.00 C ATOM 552 OG1 THR A 37 6.268 -7.395 -3.284 1.00 0.00 O ATOM 553 CG2 THR A 37 4.964 -9.327 -3.274 1.00 0.00 C ATOM 0 H THR A 37 3.619 -8.278 -0.751 1.00 0.00 H new ATOM 0 HA THR A 37 4.533 -6.098 -2.175 1.00 0.00 H new ATOM 0 HB THR A 37 5.614 -8.349 -1.469 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.063 -7.959 -3.386 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.830 -9.989 -3.300 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.128 -9.842 -2.800 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.689 -9.049 -4.292 1.00 0.00 H new ATOM 561 N ALA A 38 2.418 -7.833 -3.916 1.00 0.00 N ATOM 562 CA ALA A 38 1.616 -7.813 -5.128 1.00 0.00 C ATOM 563 C ALA A 38 0.694 -6.592 -5.104 1.00 0.00 C ATOM 564 O ALA A 38 0.596 -5.865 -6.091 1.00 0.00 O ATOM 565 CB ALA A 38 0.841 -9.127 -5.249 1.00 0.00 C ATOM 0 H ALA A 38 2.179 -8.575 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 38 2.253 -7.728 -6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.239 -9.112 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.542 -9.960 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.189 -9.246 -4.384 1.00 0.00 H new ATOM 571 N VAL A 39 0.042 -6.405 -3.966 1.00 0.00 N ATOM 572 CA VAL A 39 -0.868 -5.285 -3.800 1.00 0.00 C ATOM 573 C VAL A 39 -0.251 -4.035 -4.430 1.00 0.00 C ATOM 574 O VAL A 39 -0.938 -3.276 -5.113 1.00 0.00 O ATOM 575 CB VAL A 39 -1.209 -5.103 -2.320 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.076 -3.860 -2.106 1.00 0.00 C ATOM 577 CG2 VAL A 39 -1.892 -6.350 -1.757 1.00 0.00 C ATOM 0 H VAL A 39 0.126 -7.011 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.809 -5.478 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.275 -4.958 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.304 -3.754 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.538 -2.977 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.004 -3.963 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.123 -6.194 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.814 -6.540 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.226 -7.207 -1.859 1.00 0.00 H new ATOM 587 N LEU A 40 1.037 -3.858 -4.178 1.00 0.00 N ATOM 588 CA LEU A 40 1.754 -2.713 -4.711 1.00 0.00 C ATOM 589 C LEU A 40 1.408 -2.544 -6.192 1.00 0.00 C ATOM 590 O LEU A 40 0.721 -1.596 -6.568 1.00 0.00 O ATOM 591 CB LEU A 40 3.255 -2.847 -4.443 1.00 0.00 C ATOM 592 CG LEU A 40 4.119 -1.652 -4.851 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.067 -1.430 -6.364 1.00 0.00 C ATOM 594 CD2 LEU A 40 3.721 -0.396 -4.074 1.00 0.00 C ATOM 0 H LEU A 40 1.603 -4.489 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 40 1.443 -1.800 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.399 -3.027 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.620 -3.730 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 40 5.154 -1.875 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.689 -0.575 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.436 -2.319 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.038 -1.238 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.351 0.438 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.677 -0.158 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.851 -0.572 -3.006 1.00 0.00 H new ATOM 606 N LYS A 41 1.899 -3.479 -6.992 1.00 0.00 N ATOM 607 CA LYS A 41 1.649 -3.446 -8.423 1.00 0.00 C ATOM 608 C LYS A 41 0.188 -3.068 -8.673 1.00 0.00 C ATOM 609 O LYS A 41 -0.095 -2.045 -9.294 1.00 0.00 O ATOM 610 CB LYS A 41 2.062 -4.770 -9.070 1.00 0.00 C ATOM 611 CG LYS A 41 3.581 -4.853 -9.228 1.00 0.00 C ATOM 612 CD LYS A 41 4.061 -6.304 -9.154 1.00 0.00 C ATOM 613 CE LYS A 41 5.589 -6.379 -9.197 1.00 0.00 C ATOM 614 NZ LYS A 41 6.030 -7.714 -9.658 1.00 0.00 N ATOM 0 H LYS A 41 2.469 -4.264 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 41 2.262 -2.681 -8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.710 -5.602 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.586 -4.866 -10.046 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.875 -4.417 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.064 -4.266 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.696 -6.765 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.642 -6.872 -9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.978 -5.610 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.997 -6.177 -8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.069 -7.747 -9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.675 -8.442 -9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.656 -7.893 -10.612 1.00 0.00 H new ATOM 628 N PHE A 42 -0.702 -3.915 -8.177 1.00 0.00 N ATOM 629 CA PHE A 42 -2.127 -3.683 -8.339 1.00 0.00 C ATOM 630 C PHE A 42 -2.491 -2.238 -7.989 1.00 0.00 C ATOM 631 O PHE A 42 -2.952 -1.486 -8.846 1.00 0.00 O ATOM 632 CB PHE A 42 -2.847 -4.625 -7.372 1.00 0.00 C ATOM 633 CG PHE A 42 -4.260 -5.010 -7.814 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.148 -4.044 -8.169 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.628 -6.319 -7.852 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.460 -4.401 -8.580 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.939 -6.676 -8.262 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.828 -5.710 -8.617 1.00 0.00 C ATOM 0 H PHE A 42 -0.464 -4.763 -7.663 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.417 -3.863 -9.374 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.254 -5.532 -7.256 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.900 -4.151 -6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.856 -3.005 -8.139 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.923 -7.087 -7.570 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.165 -3.633 -8.863 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.231 -7.715 -8.292 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.826 -5.982 -8.928 1.00 0.00 H new ATOM 648 N ALA A 43 -2.269 -1.894 -6.729 1.00 0.00 N ATOM 649 CA ALA A 43 -2.567 -0.554 -6.255 1.00 0.00 C ATOM 650 C ALA A 43 -1.944 0.469 -7.207 1.00 0.00 C ATOM 651 O ALA A 43 -2.427 1.595 -7.317 1.00 0.00 O ATOM 652 CB ALA A 43 -2.064 -0.395 -4.819 1.00 0.00 C ATOM 0 H ALA A 43 -1.886 -2.521 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.643 -0.382 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.288 0.611 -4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.558 -1.125 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.987 -0.558 -4.791 1.00 0.00 H new ATOM 658 N ALA A 44 -0.881 0.041 -7.872 1.00 0.00 N ATOM 659 CA ALA A 44 -0.187 0.905 -8.811 1.00 0.00 C ATOM 660 C ALA A 44 -1.029 1.054 -10.079 1.00 0.00 C ATOM 661 O ALA A 44 -1.569 2.125 -10.349 1.00 0.00 O ATOM 662 CB ALA A 44 1.204 0.335 -9.098 1.00 0.00 C ATOM 0 H ALA A 44 -0.483 -0.894 -7.779 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.050 1.900 -8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.725 0.983 -9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.772 0.278 -8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.107 -0.663 -9.526 1.00 0.00 H new ATOM 668 N GLU A 45 -1.116 -0.038 -10.825 1.00 0.00 N ATOM 669 CA GLU A 45 -1.883 -0.043 -12.059 1.00 0.00 C ATOM 670 C GLU A 45 -3.262 0.579 -11.829 1.00 0.00 C ATOM 671 O GLU A 45 -3.803 1.243 -12.712 1.00 0.00 O ATOM 672 CB GLU A 45 -2.008 -1.460 -12.621 1.00 0.00 C ATOM 673 CG GLU A 45 -2.556 -2.423 -11.566 1.00 0.00 C ATOM 674 CD GLU A 45 -2.746 -3.825 -12.148 1.00 0.00 C ATOM 675 OE1 GLU A 45 -1.721 -4.529 -12.278 1.00 0.00 O ATOM 676 OE2 GLU A 45 -3.911 -4.161 -12.451 1.00 0.00 O ATOM 0 H GLU A 45 -0.668 -0.926 -10.598 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.352 0.559 -12.796 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.667 -1.454 -13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.033 -1.807 -12.963 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.872 -2.467 -10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.508 -2.050 -11.188 1.00 0.00 H new ATOM 683 N GLU A 46 -3.791 0.342 -10.637 1.00 0.00 N ATOM 684 CA GLU A 46 -5.096 0.871 -10.280 1.00 0.00 C ATOM 685 C GLU A 46 -5.072 2.401 -10.297 1.00 0.00 C ATOM 686 O GLU A 46 -6.046 3.036 -10.699 1.00 0.00 O ATOM 687 CB GLU A 46 -5.546 0.346 -8.915 1.00 0.00 C ATOM 688 CG GLU A 46 -6.664 -0.688 -9.066 1.00 0.00 C ATOM 689 CD GLU A 46 -8.039 -0.019 -9.026 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.276 0.731 -8.054 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.822 -0.272 -9.967 1.00 0.00 O ATOM 0 H GLU A 46 -3.339 -0.209 -9.907 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.819 0.530 -11.021 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.699 -0.103 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.894 1.175 -8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.544 -1.224 -10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.592 -1.426 -8.267 1.00 0.00 H new ATOM 698 N PHE A 47 -3.949 2.948 -9.857 1.00 0.00 N ATOM 699 CA PHE A 47 -3.786 4.392 -9.817 1.00 0.00 C ATOM 700 C PHE A 47 -3.154 4.908 -11.111 1.00 0.00 C ATOM 701 O PHE A 47 -2.860 6.096 -11.232 1.00 0.00 O ATOM 702 CB PHE A 47 -2.851 4.704 -8.647 1.00 0.00 C ATOM 703 CG PHE A 47 -3.576 5.028 -7.340 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.497 6.029 -7.303 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.301 4.317 -6.214 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.170 6.330 -6.090 1.00 0.00 C ATOM 707 CE2 PHE A 47 -3.974 4.618 -5.001 1.00 0.00 C ATOM 708 CZ PHE A 47 -4.895 5.619 -4.964 1.00 0.00 C ATOM 0 H PHE A 47 -3.143 2.418 -9.525 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.757 4.873 -9.701 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.193 3.850 -8.484 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.217 5.548 -8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.716 6.595 -8.197 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.570 3.523 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.901 7.124 -6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.755 4.052 -4.107 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.407 5.849 -4.041 1.00 0.00 H new ATOM 718 N LYS A 48 -2.964 3.989 -12.047 1.00 0.00 N ATOM 719 CA LYS A 48 -2.372 4.336 -13.327 1.00 0.00 C ATOM 720 C LYS A 48 -0.918 4.763 -13.114 1.00 0.00 C ATOM 721 O LYS A 48 -0.345 5.464 -13.946 1.00 0.00 O ATOM 722 CB LYS A 48 -3.223 5.388 -14.043 1.00 0.00 C ATOM 723 CG LYS A 48 -4.503 4.767 -14.607 1.00 0.00 C ATOM 724 CD LYS A 48 -4.752 5.234 -16.042 1.00 0.00 C ATOM 725 CE LYS A 48 -6.233 5.549 -16.267 1.00 0.00 C ATOM 726 NZ LYS A 48 -6.596 5.345 -17.687 1.00 0.00 N ATOM 0 H LYS A 48 -3.210 3.004 -11.944 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.356 3.468 -13.987 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.478 6.188 -13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.647 5.839 -14.851 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.426 3.680 -14.583 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.351 5.040 -13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.152 6.120 -16.249 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.431 4.462 -16.741 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.847 4.910 -15.633 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.440 6.579 -15.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.604 5.563 -17.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.022 5.973 -18.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.417 4.355 -17.952 1.00 0.00 H new ATOM 740 N VAL A 49 -0.364 4.321 -11.995 1.00 0.00 N ATOM 741 CA VAL A 49 1.012 4.648 -11.661 1.00 0.00 C ATOM 742 C VAL A 49 1.906 3.446 -11.969 1.00 0.00 C ATOM 743 O VAL A 49 1.432 2.312 -12.024 1.00 0.00 O ATOM 744 CB VAL A 49 1.103 5.103 -10.203 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.133 6.253 -9.926 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.856 3.934 -9.248 1.00 0.00 C ATOM 0 H VAL A 49 -0.843 3.739 -11.308 1.00 0.00 H new ATOM 0 HA VAL A 49 1.365 5.480 -12.270 1.00 0.00 H new ATOM 0 HB VAL A 49 2.115 5.470 -10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.218 6.557 -8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.376 7.097 -10.571 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.887 5.925 -10.126 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.926 4.284 -8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.138 3.524 -9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.604 3.160 -9.420 1.00 0.00 H new ATOM 756 N PRO A 50 3.219 3.741 -12.168 1.00 0.00 N ATOM 757 CA PRO A 50 4.184 2.698 -12.469 1.00 0.00 C ATOM 758 C PRO A 50 4.521 1.885 -11.217 1.00 0.00 C ATOM 759 O PRO A 50 4.673 2.444 -10.132 1.00 0.00 O ATOM 760 CB PRO A 50 5.386 3.428 -13.044 1.00 0.00 C ATOM 761 CG PRO A 50 5.237 4.879 -12.616 1.00 0.00 C ATOM 762 CD PRO A 50 3.817 5.072 -12.111 1.00 0.00 C ATOM 0 HA PRO A 50 3.803 1.965 -13.180 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.317 3.004 -12.668 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.412 3.342 -14.130 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.957 5.122 -11.834 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.438 5.547 -13.454 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.808 5.467 -11.095 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.268 5.780 -12.733 1.00 0.00 H new ATOM 770 N ALA A 51 4.628 0.578 -11.410 1.00 0.00 N ATOM 771 CA ALA A 51 4.944 -0.317 -10.311 1.00 0.00 C ATOM 772 C ALA A 51 6.462 -0.479 -10.211 1.00 0.00 C ATOM 773 O ALA A 51 6.959 -1.583 -9.990 1.00 0.00 O ATOM 774 CB ALA A 51 4.227 -1.653 -10.518 1.00 0.00 C ATOM 0 H ALA A 51 4.501 0.118 -12.312 1.00 0.00 H new ATOM 0 HA ALA A 51 4.594 0.098 -9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.464 -2.325 -9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.150 -1.487 -10.552 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.555 -2.100 -11.456 1.00 0.00 H new ATOM 780 N ALA A 52 7.156 0.636 -10.378 1.00 0.00 N ATOM 781 CA ALA A 52 8.608 0.632 -10.310 1.00 0.00 C ATOM 782 C ALA A 52 9.066 1.614 -9.230 1.00 0.00 C ATOM 783 O ALA A 52 9.837 1.251 -8.343 1.00 0.00 O ATOM 784 CB ALA A 52 9.185 0.968 -11.687 1.00 0.00 C ATOM 0 H ALA A 52 6.740 1.549 -10.560 1.00 0.00 H new ATOM 0 HA ALA A 52 8.977 -0.356 -10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.274 0.965 -11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.854 0.224 -12.412 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.839 1.954 -11.996 1.00 0.00 H new ATOM 790 N THR A 53 8.572 2.838 -9.340 1.00 0.00 N ATOM 791 CA THR A 53 8.922 3.875 -8.384 1.00 0.00 C ATOM 792 C THR A 53 7.765 4.115 -7.411 1.00 0.00 C ATOM 793 O THR A 53 7.412 5.259 -7.132 1.00 0.00 O ATOM 794 CB THR A 53 9.326 5.125 -9.168 1.00 0.00 C ATOM 795 OG1 THR A 53 8.084 5.710 -9.552 1.00 0.00 O ATOM 796 CG2 THR A 53 10.006 4.788 -10.497 1.00 0.00 C ATOM 0 H THR A 53 7.932 3.135 -10.077 1.00 0.00 H new ATOM 0 HA THR A 53 9.768 3.574 -7.766 1.00 0.00 H new ATOM 0 HB THR A 53 9.997 5.733 -8.561 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.609 6.023 -8.754 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.272 5.710 -11.014 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.907 4.205 -10.307 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.323 4.208 -11.118 1.00 0.00 H new ATOM 804 N SER A 54 7.208 3.017 -6.923 1.00 0.00 N ATOM 805 CA SER A 54 6.098 3.094 -5.987 1.00 0.00 C ATOM 806 C SER A 54 6.278 2.057 -4.876 1.00 0.00 C ATOM 807 O SER A 54 6.612 0.905 -5.146 1.00 0.00 O ATOM 808 CB SER A 54 4.761 2.881 -6.700 1.00 0.00 C ATOM 809 OG SER A 54 4.731 3.511 -7.978 1.00 0.00 O ATOM 0 H SER A 54 7.504 2.069 -7.157 1.00 0.00 H new ATOM 0 HA SER A 54 6.090 4.091 -5.547 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.579 1.813 -6.818 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.954 3.275 -6.082 1.00 0.00 H new ATOM 0 HG SER A 54 4.489 2.852 -8.662 1.00 0.00 H new ATOM 815 N ALA A 55 6.049 2.505 -3.650 1.00 0.00 N ATOM 816 CA ALA A 55 6.181 1.631 -2.497 1.00 0.00 C ATOM 817 C ALA A 55 5.099 1.978 -1.473 1.00 0.00 C ATOM 818 O ALA A 55 4.489 3.043 -1.546 1.00 0.00 O ATOM 819 CB ALA A 55 7.592 1.757 -1.920 1.00 0.00 C ATOM 0 H ALA A 55 5.773 3.462 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 55 6.039 0.590 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.691 1.101 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.322 1.471 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.770 2.788 -1.616 1.00 0.00 H new ATOM 825 N ILE A 56 4.894 1.058 -0.541 1.00 0.00 N ATOM 826 CA ILE A 56 3.897 1.254 0.497 1.00 0.00 C ATOM 827 C ILE A 56 4.594 1.357 1.855 1.00 0.00 C ATOM 828 O ILE A 56 5.377 0.482 2.222 1.00 0.00 O ATOM 829 CB ILE A 56 2.834 0.155 0.433 1.00 0.00 C ATOM 830 CG1 ILE A 56 2.076 0.202 -0.895 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.891 0.233 1.635 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.783 -1.208 -1.411 1.00 0.00 C ATOM 0 H ILE A 56 5.402 0.175 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 56 3.363 2.191 0.340 1.00 0.00 H new ATOM 0 HB ILE A 56 3.338 -0.810 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.141 0.747 -0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.663 0.748 -1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.145 -0.559 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.463 0.112 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.391 1.202 1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.244 -1.145 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.721 -1.742 -1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.175 -1.743 -0.681 1.00 0.00 H new ATOM 844 N ILE A 57 4.283 2.432 2.564 1.00 0.00 N ATOM 845 CA ILE A 57 4.870 2.661 3.873 1.00 0.00 C ATOM 846 C ILE A 57 3.757 2.731 4.921 1.00 0.00 C ATOM 847 O ILE A 57 2.606 3.013 4.591 1.00 0.00 O ATOM 848 CB ILE A 57 5.771 3.897 3.849 1.00 0.00 C ATOM 849 CG1 ILE A 57 4.967 5.154 3.508 1.00 0.00 C ATOM 850 CG2 ILE A 57 6.952 3.696 2.897 1.00 0.00 C ATOM 851 CD1 ILE A 57 5.664 6.410 4.035 1.00 0.00 C ATOM 0 H ILE A 57 3.632 3.154 2.256 1.00 0.00 H new ATOM 0 HA ILE A 57 5.518 1.829 4.150 1.00 0.00 H new ATOM 0 HB ILE A 57 6.184 4.039 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.843 5.229 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.969 5.080 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.577 4.589 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.542 2.840 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.580 3.515 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.072 7.289 3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.765 6.343 5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.652 6.494 3.583 1.00 0.00 H new ATOM 863 N THR A 58 4.139 2.471 6.162 1.00 0.00 N ATOM 864 CA THR A 58 3.188 2.502 7.260 1.00 0.00 C ATOM 865 C THR A 58 3.505 3.659 8.209 1.00 0.00 C ATOM 866 O THR A 58 4.554 4.291 8.093 1.00 0.00 O ATOM 867 CB THR A 58 3.209 1.133 7.943 1.00 0.00 C ATOM 868 OG1 THR A 58 2.305 1.275 9.035 1.00 0.00 O ATOM 869 CG2 THR A 58 4.554 0.832 8.609 1.00 0.00 C ATOM 0 H THR A 58 5.095 2.238 6.432 1.00 0.00 H new ATOM 0 HA THR A 58 2.176 2.687 6.900 1.00 0.00 H new ATOM 0 HB THR A 58 2.985 0.358 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.876 0.413 9.219 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.516 -0.151 9.079 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.343 0.844 7.857 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.762 1.588 9.366 1.00 0.00 H new ATOM 877 N ASN A 59 2.580 3.901 9.126 1.00 0.00 N ATOM 878 CA ASN A 59 2.749 4.972 10.094 1.00 0.00 C ATOM 879 C ASN A 59 4.208 5.015 10.551 1.00 0.00 C ATOM 880 O ASN A 59 4.809 3.976 10.822 1.00 0.00 O ATOM 881 CB ASN A 59 1.873 4.741 11.328 1.00 0.00 C ATOM 882 CG ASN A 59 0.440 4.390 10.925 1.00 0.00 C ATOM 883 OD1 ASN A 59 0.031 3.240 10.928 1.00 0.00 O ATOM 884 ND2 ASN A 59 -0.298 5.441 10.580 1.00 0.00 N ATOM 0 H ASN A 59 1.711 3.374 9.219 1.00 0.00 H new ATOM 0 HA ASN A 59 2.460 5.908 9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.293 3.936 11.931 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.871 5.636 11.950 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.269 5.311 10.296 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.107 6.377 10.600 1.00 0.00 H new ATOM 891 N ASP A 60 4.736 6.228 10.624 1.00 0.00 N ATOM 892 CA ASP A 60 6.114 6.420 11.044 1.00 0.00 C ATOM 893 C ASP A 60 7.050 6.059 9.889 1.00 0.00 C ATOM 894 O ASP A 60 8.264 5.984 10.069 1.00 0.00 O ATOM 895 CB ASP A 60 6.459 5.519 12.231 1.00 0.00 C ATOM 896 CG ASP A 60 7.138 6.228 13.405 1.00 0.00 C ATOM 897 OD1 ASP A 60 6.604 7.280 13.818 1.00 0.00 O ATOM 898 OD2 ASP A 60 8.175 5.702 13.863 1.00 0.00 O ATOM 0 H ASP A 60 4.235 7.087 10.399 1.00 0.00 H new ATOM 0 HA ASP A 60 6.235 7.463 11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.543 5.050 12.590 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.112 4.719 11.883 1.00 0.00 H new ATOM 903 N GLY A 61 6.449 5.844 8.727 1.00 0.00 N ATOM 904 CA GLY A 61 7.214 5.493 7.543 1.00 0.00 C ATOM 905 C GLY A 61 8.337 4.512 7.887 1.00 0.00 C ATOM 906 O GLY A 61 9.484 4.714 7.491 1.00 0.00 O ATOM 0 H GLY A 61 5.441 5.906 8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.554 5.049 6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.637 6.394 7.098 1.00 0.00 H new ATOM 910 N ILE A 62 7.967 3.472 8.619 1.00 0.00 N ATOM 911 CA ILE A 62 8.930 2.460 9.021 1.00 0.00 C ATOM 912 C ILE A 62 9.021 1.389 7.932 1.00 0.00 C ATOM 913 O ILE A 62 9.583 0.318 8.155 1.00 0.00 O ATOM 914 CB ILE A 62 8.577 1.904 10.402 1.00 0.00 C ATOM 915 CG1 ILE A 62 9.802 1.898 11.319 1.00 0.00 C ATOM 916 CG2 ILE A 62 7.940 0.518 10.288 1.00 0.00 C ATOM 917 CD1 ILE A 62 10.746 0.747 10.967 1.00 0.00 C ATOM 0 H ILE A 62 7.014 3.308 8.944 1.00 0.00 H new ATOM 0 HA ILE A 62 9.923 2.897 9.123 1.00 0.00 H new ATOM 0 HB ILE A 62 7.837 2.562 10.857 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.331 2.847 11.231 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.483 1.807 12.357 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.699 0.145 11.284 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.028 0.584 9.695 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.639 -0.165 9.805 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.608 0.766 11.634 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.221 -0.202 11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.083 0.855 9.936 1.00 0.00 H new ATOM 929 N GLY A 63 8.460 1.716 6.777 1.00 0.00 N ATOM 930 CA GLY A 63 8.472 0.795 5.652 1.00 0.00 C ATOM 931 C GLY A 63 7.687 -0.477 5.978 1.00 0.00 C ATOM 932 O GLY A 63 7.275 -0.682 7.118 1.00 0.00 O ATOM 0 H GLY A 63 7.994 2.605 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.040 1.279 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.500 0.537 5.399 1.00 0.00 H new ATOM 936 N ILE A 64 7.504 -1.299 4.955 1.00 0.00 N ATOM 937 CA ILE A 64 6.776 -2.546 5.117 1.00 0.00 C ATOM 938 C ILE A 64 7.577 -3.685 4.484 1.00 0.00 C ATOM 939 O ILE A 64 8.179 -3.512 3.426 1.00 0.00 O ATOM 940 CB ILE A 64 5.355 -2.413 4.566 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.684 -1.138 5.081 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.527 -3.662 4.875 1.00 0.00 C ATOM 943 CD1 ILE A 64 3.389 -0.853 4.318 1.00 0.00 C ATOM 0 H ILE A 64 7.848 -1.126 4.010 1.00 0.00 H new ATOM 0 HA ILE A 64 6.662 -2.785 6.174 1.00 0.00 H new ATOM 0 HB ILE A 64 5.416 -2.329 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.469 -1.240 6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.366 -0.295 4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.521 -3.541 4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.998 -4.533 4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.471 -3.803 5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.932 0.058 4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.611 -0.727 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.699 -1.687 4.447 1.00 0.00 H new ATOM 955 N ASN A 65 7.558 -4.825 5.159 1.00 0.00 N ATOM 956 CA ASN A 65 8.275 -5.993 4.676 1.00 0.00 C ATOM 957 C ASN A 65 7.271 -7.093 4.324 1.00 0.00 C ATOM 958 O ASN A 65 6.694 -7.719 5.212 1.00 0.00 O ATOM 959 CB ASN A 65 9.220 -6.541 5.747 1.00 0.00 C ATOM 960 CG ASN A 65 10.590 -6.872 5.152 1.00 0.00 C ATOM 961 OD1 ASN A 65 11.221 -6.063 4.491 1.00 0.00 O ATOM 962 ND2 ASN A 65 11.014 -8.104 5.421 1.00 0.00 N ATOM 0 H ASN A 65 7.057 -4.965 6.037 1.00 0.00 H new ATOM 0 HA ASN A 65 8.854 -5.695 3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.334 -5.808 6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.788 -7.436 6.195 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.917 -8.421 5.068 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.436 -8.731 5.981 1.00 0.00 H new ATOM 969 N PRO A 66 7.090 -7.300 2.992 1.00 0.00 N ATOM 970 CA PRO A 66 6.166 -8.314 2.512 1.00 0.00 C ATOM 971 C PRO A 66 6.752 -9.716 2.685 1.00 0.00 C ATOM 972 O PRO A 66 6.784 -10.501 1.738 1.00 0.00 O ATOM 973 CB PRO A 66 5.908 -7.953 1.058 1.00 0.00 C ATOM 974 CG PRO A 66 7.046 -7.034 0.648 1.00 0.00 C ATOM 975 CD PRO A 66 7.756 -6.578 1.913 1.00 0.00 C ATOM 0 HA PRO A 66 5.233 -8.334 3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.882 -8.845 0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.945 -7.456 0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.739 -7.556 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.664 -6.176 0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.820 -6.813 1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.672 -5.500 2.047 1.00 0.00 H new ATOM 983 N ALA A 67 7.200 -9.989 3.902 1.00 0.00 N ATOM 984 CA ALA A 67 7.784 -11.284 4.211 1.00 0.00 C ATOM 985 C ALA A 67 6.668 -12.269 4.564 1.00 0.00 C ATOM 986 O ALA A 67 6.907 -13.472 4.664 1.00 0.00 O ATOM 987 CB ALA A 67 8.803 -11.127 5.341 1.00 0.00 C ATOM 0 H ALA A 67 7.170 -9.336 4.685 1.00 0.00 H new ATOM 0 HA ALA A 67 8.315 -11.683 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.241 -12.098 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.589 -10.439 5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.306 -10.732 6.227 1.00 0.00 H new ATOM 993 N GLN A 68 5.474 -11.724 4.743 1.00 0.00 N ATOM 994 CA GLN A 68 4.321 -12.540 5.083 1.00 0.00 C ATOM 995 C GLN A 68 3.149 -12.214 4.156 1.00 0.00 C ATOM 996 O GLN A 68 3.203 -11.248 3.396 1.00 0.00 O ATOM 997 CB GLN A 68 3.930 -12.352 6.550 1.00 0.00 C ATOM 998 CG GLN A 68 4.041 -10.884 6.963 1.00 0.00 C ATOM 999 CD GLN A 68 5.477 -10.532 7.358 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.216 -11.341 7.895 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.828 -9.284 7.064 1.00 0.00 N ATOM 0 H GLN A 68 5.280 -10.726 4.659 1.00 0.00 H new ATOM 0 HA GLN A 68 4.587 -13.588 4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.909 -12.701 6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.575 -12.961 7.183 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.720 -10.246 6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.371 -10.686 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.159 -8.659 6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.766 -8.952 7.288 1.00 0.00 H new ATOM 1010 N THR A 69 2.115 -13.038 4.249 1.00 0.00 N ATOM 1011 CA THR A 69 0.931 -12.850 3.429 1.00 0.00 C ATOM 1012 C THR A 69 0.349 -11.452 3.646 1.00 0.00 C ATOM 1013 O THR A 69 0.471 -10.886 4.731 1.00 0.00 O ATOM 1014 CB THR A 69 -0.053 -13.975 3.753 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.222 -13.892 5.166 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.550 -15.363 3.531 1.00 0.00 C ATOM 0 H THR A 69 2.073 -13.838 4.881 1.00 0.00 H new ATOM 0 HA THR A 69 1.172 -12.906 2.368 1.00 0.00 H new ATOM 0 HB THR A 69 -0.946 -13.865 3.137 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.847 -14.586 5.462 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.190 -16.125 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.847 -15.468 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.423 -15.487 4.171 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.271 -10.934 2.595 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.873 -9.613 2.658 1.00 0.00 C ATOM 1026 C ALA A 70 -1.699 -9.493 3.940 1.00 0.00 C ATOM 1027 O ALA A 70 -1.562 -8.522 4.682 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.711 -9.374 1.400 1.00 0.00 C ATOM 0 H ALA A 70 -0.369 -11.405 1.696 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.103 -8.842 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.163 -8.383 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.072 -9.440 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.496 -10.128 1.337 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.538 -10.494 4.161 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.386 -10.513 5.341 1.00 0.00 C ATOM 1036 C GLY A 71 -2.550 -10.416 6.619 1.00 0.00 C ATOM 1037 O GLY A 71 -3.047 -9.989 7.659 1.00 0.00 O ATOM 0 H GLY A 71 -2.649 -11.298 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.091 -9.683 5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.974 -11.431 5.356 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.294 -10.820 6.498 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.384 -10.785 7.630 1.00 0.00 C ATOM 1043 C ASN A 72 0.436 -9.494 7.579 1.00 0.00 C ATOM 1044 O ASN A 72 1.033 -9.094 8.578 1.00 0.00 O ATOM 1045 CB ASN A 72 0.588 -11.965 7.593 1.00 0.00 C ATOM 1046 CG ASN A 72 0.240 -12.997 8.668 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -0.309 -12.683 9.712 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.587 -14.242 8.355 1.00 0.00 N ATOM 0 H ASN A 72 -0.885 -11.173 5.633 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.978 -10.837 8.542 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.558 -12.435 6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.606 -11.607 7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.396 -15.004 9.006 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.044 -14.435 7.464 1.00 0.00 H new ATOM 1055 N VAL A 73 0.440 -8.879 6.406 1.00 0.00 N ATOM 1056 CA VAL A 73 1.178 -7.643 6.211 1.00 0.00 C ATOM 1057 C VAL A 73 0.271 -6.456 6.542 1.00 0.00 C ATOM 1058 O VAL A 73 0.676 -5.541 7.258 1.00 0.00 O ATOM 1059 CB VAL A 73 1.741 -7.587 4.789 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.390 -6.230 4.510 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.729 -8.729 4.546 1.00 0.00 C ATOM 0 H VAL A 73 -0.056 -9.214 5.580 1.00 0.00 H new ATOM 0 HA VAL A 73 2.033 -7.598 6.886 1.00 0.00 H new ATOM 0 HB VAL A 73 0.911 -7.710 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.782 -6.216 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.646 -5.441 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.205 -6.064 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.114 -8.666 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.555 -8.652 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.222 -9.684 4.684 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.939 -6.508 6.005 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.906 -5.449 6.234 1.00 0.00 C ATOM 1073 C PHE A 74 -2.383 -5.447 7.688 1.00 0.00 C ATOM 1074 O PHE A 74 -3.016 -4.492 8.136 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.100 -5.728 5.318 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.282 -6.396 6.023 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.106 -7.576 6.676 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.509 -5.810 5.997 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.203 -8.196 7.330 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.606 -6.430 6.651 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.430 -7.610 7.304 1.00 0.00 C ATOM 0 H PHE A 74 -1.272 -7.268 5.411 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.452 -4.480 6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.436 -4.788 4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.773 -6.365 4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.132 -8.041 6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.649 -4.873 5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.063 -9.133 7.848 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.580 -5.965 6.630 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.264 -8.082 7.802 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.062 -6.528 8.384 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.449 -6.663 9.778 1.00 0.00 C ATOM 1093 C LEU A 75 -1.334 -6.112 10.668 1.00 0.00 C ATOM 1094 O LEU A 75 -1.543 -5.152 11.408 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.827 -8.112 10.091 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.663 -8.329 11.354 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.032 -8.921 11.010 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.907 -9.186 12.371 1.00 0.00 C ATOM 0 H LEU A 75 -1.538 -7.319 8.008 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.342 -6.073 9.984 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.378 -8.515 9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.910 -8.694 10.182 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.839 -7.359 11.818 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.606 -9.065 11.925 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.568 -8.239 10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.898 -9.880 10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.523 -9.325 13.259 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.680 -10.157 11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.978 -8.687 12.648 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.174 -6.744 10.568 1.00 0.00 N ATOM 1111 CA LYS A 76 0.975 -6.329 11.355 1.00 0.00 C ATOM 1112 C LYS A 76 1.266 -4.851 11.086 1.00 0.00 C ATOM 1113 O LYS A 76 1.296 -4.042 12.012 1.00 0.00 O ATOM 1114 CB LYS A 76 2.168 -7.249 11.088 1.00 0.00 C ATOM 1115 CG LYS A 76 3.399 -6.442 10.670 1.00 0.00 C ATOM 1116 CD LYS A 76 4.657 -7.313 10.687 1.00 0.00 C ATOM 1117 CE LYS A 76 5.323 -7.287 12.065 1.00 0.00 C ATOM 1118 NZ LYS A 76 6.200 -8.467 12.239 1.00 0.00 N ATOM 0 H LYS A 76 -0.005 -7.541 9.954 1.00 0.00 H new ATOM 0 HA LYS A 76 0.761 -6.423 12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.394 -7.827 11.984 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.913 -7.963 10.305 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.248 -6.034 9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.529 -5.595 11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.397 -8.338 10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.359 -6.958 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.907 -6.373 12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.561 -7.275 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.644 -8.434 13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.634 -9.336 12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.939 -8.462 11.507 1.00 0.00 H new ATOM 1132 N HIS A 77 1.472 -4.544 9.814 1.00 0.00 N ATOM 1133 CA HIS A 77 1.759 -3.177 9.411 1.00 0.00 C ATOM 1134 C HIS A 77 0.498 -2.324 9.556 1.00 0.00 C ATOM 1135 O HIS A 77 0.550 -1.218 10.093 1.00 0.00 O ATOM 1136 CB HIS A 77 2.342 -3.139 7.997 1.00 0.00 C ATOM 1137 CG HIS A 77 3.642 -3.894 7.848 1.00 0.00 C ATOM 1138 ND1 HIS A 77 3.883 -5.208 7.577 1.00 0.00 N flip ATOM 1139 CD2 HIS A 77 4.880 -3.289 7.981 1.00 0.00 C flip ATOM 1140 CE1 HIS A 77 5.196 -5.396 7.545 1.00 0.00 C flip ATOM 1141 NE2 HIS A 77 5.816 -4.207 7.795 1.00 0.00 N flip ATOM 0 H HIS A 77 1.446 -5.218 9.049 1.00 0.00 H new ATOM 0 HA HIS A 77 2.520 -2.753 10.066 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.611 -3.554 7.303 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.502 -2.100 7.709 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.053 -2.246 8.199 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.692 -6.336 7.353 1.00 0.00 H new ATOM 0 HE2 HIS A 77 6.824 -4.052 7.832 1.00 0.00 H new ATOM 1149 N GLY A 78 -0.606 -2.869 9.067 1.00 0.00 N ATOM 1150 CA GLY A 78 -1.879 -2.172 9.135 1.00 0.00 C ATOM 1151 C GLY A 78 -2.476 -1.984 7.739 1.00 0.00 C ATOM 1152 O GLY A 78 -1.745 -1.832 6.762 1.00 0.00 O ATOM 0 H GLY A 78 -0.645 -3.786 8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.573 -2.735 9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.741 -1.200 9.609 1.00 0.00 H new ATOM 1156 N SER A 79 -3.800 -2.000 7.690 1.00 0.00 N ATOM 1157 CA SER A 79 -4.505 -1.833 6.430 1.00 0.00 C ATOM 1158 C SER A 79 -4.347 -0.396 5.929 1.00 0.00 C ATOM 1159 O SER A 79 -4.092 -0.172 4.746 1.00 0.00 O ATOM 1160 CB SER A 79 -5.986 -2.185 6.577 1.00 0.00 C ATOM 1161 OG SER A 79 -6.718 -1.922 5.382 1.00 0.00 O ATOM 0 H SER A 79 -4.403 -2.126 8.503 1.00 0.00 H new ATOM 0 HA SER A 79 -4.069 -2.515 5.700 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.084 -3.239 6.838 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.415 -1.612 7.399 1.00 0.00 H new ATOM 0 HG SER A 79 -7.241 -2.714 5.138 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.505 0.540 6.853 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.384 1.949 6.519 1.00 0.00 C ATOM 1169 C GLU A 80 -2.911 2.335 6.376 1.00 0.00 C ATOM 1170 O GLU A 80 -2.211 2.510 7.372 1.00 0.00 O ATOM 1171 CB GLU A 80 -5.080 2.822 7.565 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.600 2.675 7.478 1.00 0.00 C ATOM 1173 CD GLU A 80 -7.292 4.031 7.629 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -7.167 4.840 6.684 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.929 4.229 8.686 1.00 0.00 O ATOM 0 H GLU A 80 -4.716 0.350 7.833 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.879 2.120 5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.740 2.542 8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.803 3.866 7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.872 2.229 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.948 1.996 8.257 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.483 2.457 5.127 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.105 2.819 4.840 1.00 0.00 C ATOM 1184 C LEU A 81 -1.083 3.928 3.786 1.00 0.00 C ATOM 1185 O LEU A 81 -2.128 4.312 3.262 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.296 1.581 4.448 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.634 0.293 5.202 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.641 -0.909 4.255 1.00 0.00 C ATOM 1189 CD2 LEU A 81 0.312 0.086 6.386 1.00 0.00 C ATOM 0 H LEU A 81 -3.066 2.312 4.303 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.622 3.217 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.436 1.402 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.761 1.800 4.598 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.641 0.388 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.884 -1.812 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.387 -0.754 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.343 -1.019 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.050 -0.836 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.338 0.020 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.223 0.927 7.074 1.00 0.00 H new ATOM 1201 N ARG A 82 0.118 4.410 3.506 1.00 0.00 N ATOM 1202 CA ARG A 82 0.290 5.466 2.523 1.00 0.00 C ATOM 1203 C ARG A 82 1.285 5.032 1.445 1.00 0.00 C ATOM 1204 O ARG A 82 2.316 4.436 1.751 1.00 0.00 O ATOM 1205 CB ARG A 82 0.791 6.754 3.180 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.273 7.347 4.106 1.00 0.00 C ATOM 1207 CD ARG A 82 0.235 7.425 5.547 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.858 7.856 6.446 1.00 0.00 N ATOM 1209 CZ ARG A 82 -1.334 9.108 6.504 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -0.817 10.058 5.714 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -2.328 9.408 7.351 1.00 0.00 N ATOM 0 H ARG A 82 0.982 4.089 3.943 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.682 5.657 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.698 6.548 3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.054 7.480 2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.548 8.343 3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.175 6.736 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.613 6.452 5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.067 8.126 5.611 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.276 7.157 7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.061 9.829 5.068 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.179 11.011 5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.722 8.684 7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.690 10.360 7.395 1.00 0.00 H new ATOM 1225 N ILE A 83 0.940 5.347 0.205 1.00 0.00 N ATOM 1226 CA ILE A 83 1.790 4.997 -0.920 1.00 0.00 C ATOM 1227 C ILE A 83 2.670 6.196 -1.282 1.00 0.00 C ATOM 1228 O ILE A 83 2.167 7.230 -1.719 1.00 0.00 O ATOM 1229 CB ILE A 83 0.948 4.478 -2.087 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.725 3.448 -2.909 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.436 5.633 -2.950 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.797 2.698 -3.867 1.00 0.00 C ATOM 0 H ILE A 83 0.083 5.841 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 83 2.459 4.179 -0.651 1.00 0.00 H new ATOM 0 HB ILE A 83 0.074 3.970 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.511 3.947 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.214 2.739 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.160 5.237 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.180 6.296 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.282 6.191 -3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.375 1.972 -4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.026 2.180 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.328 3.407 -4.549 1.00 0.00 H new ATOM 1244 N ILE A 84 3.968 6.017 -1.087 1.00 0.00 N ATOM 1245 CA ILE A 84 4.922 7.071 -1.387 1.00 0.00 C ATOM 1246 C ILE A 84 5.777 6.653 -2.586 1.00 0.00 C ATOM 1247 O ILE A 84 5.952 5.463 -2.843 1.00 0.00 O ATOM 1248 CB ILE A 84 5.739 7.424 -0.143 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.679 6.279 0.240 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.826 7.829 1.016 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.115 6.580 -0.191 1.00 0.00 C ATOM 0 H ILE A 84 4.382 5.158 -0.725 1.00 0.00 H new ATOM 0 HA ILE A 84 4.402 7.986 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 84 6.363 8.287 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.645 6.121 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.341 5.355 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.432 8.075 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.236 8.699 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.159 7.002 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.762 5.750 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.150 6.713 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.458 7.492 0.298 1.00 0.00 H new ATOM 1263 N PRO A 85 6.299 7.681 -3.306 1.00 0.00 N ATOM 1264 CA PRO A 85 7.131 7.433 -4.471 1.00 0.00 C ATOM 1265 C PRO A 85 8.528 6.967 -4.058 1.00 0.00 C ATOM 1266 O PRO A 85 9.221 7.657 -3.312 1.00 0.00 O ATOM 1267 CB PRO A 85 7.144 8.748 -5.232 1.00 0.00 C ATOM 1268 CG PRO A 85 6.708 9.811 -4.237 1.00 0.00 C ATOM 1269 CD PRO A 85 6.112 9.103 -3.031 1.00 0.00 C ATOM 0 HA PRO A 85 6.747 6.629 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.139 8.963 -5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.467 8.712 -6.086 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.557 10.425 -3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.975 10.479 -4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.615 9.398 -2.110 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.057 9.347 -2.910 1.00 0.00 H new ATOM 1277 N ARG A 86 8.901 5.799 -4.560 1.00 0.00 N ATOM 1278 CA ARG A 86 10.203 5.232 -4.253 1.00 0.00 C ATOM 1279 C ARG A 86 11.280 5.867 -5.135 1.00 0.00 C ATOM 1280 O ARG A 86 11.017 6.219 -6.284 1.00 0.00 O ATOM 1281 CB ARG A 86 10.208 3.717 -4.464 1.00 0.00 C ATOM 1282 CG ARG A 86 11.489 3.091 -3.908 1.00 0.00 C ATOM 1283 CD ARG A 86 11.341 1.575 -3.766 1.00 0.00 C ATOM 1284 NE ARG A 86 11.084 0.964 -5.089 1.00 0.00 N ATOM 1285 CZ ARG A 86 10.941 -0.352 -5.295 1.00 0.00 C ATOM 1286 NH1 ARG A 86 11.028 -1.204 -4.264 1.00 0.00 N ATOM 1287 NH2 ARG A 86 10.710 -0.816 -6.530 1.00 0.00 N ATOM 0 H ARG A 86 8.323 5.229 -5.178 1.00 0.00 H new ATOM 0 HA ARG A 86 10.417 5.442 -3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.340 3.275 -3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.122 3.494 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.326 3.318 -4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 86 11.721 3.530 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.247 1.152 -3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.522 1.344 -3.085 1.00 0.00 H new ATOM 0 HE ARG A 86 11.011 1.584 -5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.203 -0.850 -3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.919 -2.206 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.643 -0.167 -7.314 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.601 -1.818 -6.686 1.00 0.00 H new