USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 862 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 62 ASN : amide:sc= -0.255 X(o=-0.3,f=-0.13) USER MOD Set 1.2: A 94 LYS NZ :NH3+ 140:sc= -0.0492 (180deg=-0.52) USER MOD Single : A 2 LYS NZ :NH3+ 158:sc= -0.0236 (180deg=-0.239) USER MOD Single : A 14 THR OG1 : rot 125:sc= -3.22! USER MOD Single : A 15 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 16 SER OG : rot 95:sc= -0.181 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 165:sc= -0.213 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.618! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -167:sc= -1.59 (180deg=-1.91) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.0181 K(o=0.018,f=-0.73) USER MOD Single : A 71 SER OG : rot -30:sc= 0.175 USER MOD Single : A 74 SER OG : rot 115:sc= -1.02 USER MOD Single : A 80 THR OG1 : rot -63:sc= -3.78! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 160:sc= -0.0275 (180deg=-0.186) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -0.675 1.691 14.119 1.00 0.00 N ATOM 21 CA LYS A 2 -0.146 0.722 13.167 1.00 0.00 C ATOM 22 C LYS A 2 -1.258 0.157 12.288 1.00 0.00 C ATOM 23 O LYS A 2 -1.926 -0.809 12.657 1.00 0.00 O ATOM 24 CB LYS A 2 0.564 -0.416 13.904 1.00 0.00 C ATOM 25 CG LYS A 2 1.502 0.059 15.003 1.00 0.00 C ATOM 26 CD LYS A 2 2.957 -0.031 14.572 1.00 0.00 C ATOM 27 CE LYS A 2 3.860 -0.413 15.734 1.00 0.00 C ATOM 28 NZ LYS A 2 3.642 -1.821 16.169 1.00 0.00 N ATOM 0 HA LYS A 2 0.572 1.236 12.528 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.185 -1.078 14.339 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.131 -1.005 13.184 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.263 1.089 15.267 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.349 -0.543 15.899 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.057 -0.768 13.775 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.276 0.927 14.162 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.902 -0.281 15.443 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.676 0.258 16.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.484 -2.162 16.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.816 -1.866 16.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.473 -2.420 15.336 1.00 0.00 H new ATOM 42 N ARG A 3 -1.450 0.766 11.122 1.00 0.00 N ATOM 43 CA ARG A 3 -2.480 0.328 10.186 1.00 0.00 C ATOM 44 C ARG A 3 -2.020 0.528 8.745 1.00 0.00 C ATOM 45 O ARG A 3 -1.907 1.656 8.275 1.00 0.00 O ATOM 46 CB ARG A 3 -3.781 1.099 10.425 1.00 0.00 C ATOM 47 CG ARG A 3 -4.079 1.359 11.893 1.00 0.00 C ATOM 48 CD ARG A 3 -3.399 2.629 12.380 1.00 0.00 C ATOM 49 NE ARG A 3 -4.112 3.238 13.500 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.192 4.004 13.362 1.00 0.00 C ATOM 51 NH1 ARG A 3 -5.688 4.255 12.158 1.00 0.00 N ATOM 52 NH2 ARG A 3 -5.779 4.520 14.435 1.00 0.00 N ATOM 0 H ARG A 3 -0.904 1.566 10.802 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.659 -0.734 10.353 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.729 2.053 9.900 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.609 0.540 9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.156 1.442 12.038 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.742 0.512 12.490 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.377 2.400 12.683 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.336 3.344 11.559 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.762 3.066 14.443 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.242 3.860 11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.516 4.843 12.060 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.402 4.329 15.364 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.607 5.107 14.331 1.00 0.00 H new ATOM 66 N VAL A 4 -1.759 -0.571 8.046 1.00 0.00 N ATOM 67 CA VAL A 4 -1.316 -0.494 6.659 1.00 0.00 C ATOM 68 C VAL A 4 -2.498 -0.642 5.703 1.00 0.00 C ATOM 69 O VAL A 4 -3.478 -1.316 6.016 1.00 0.00 O ATOM 70 CB VAL A 4 -0.257 -1.571 6.344 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.392 -1.298 4.996 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.794 -1.631 7.448 1.00 0.00 C ATOM 0 H VAL A 4 -1.846 -1.519 8.413 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.863 0.487 6.519 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.753 -2.540 6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.137 -2.066 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.370 -1.311 4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.875 -0.321 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.532 -2.397 7.207 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.289 -0.664 7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.313 -1.876 8.395 1.00 0.00 H new ATOM 82 N LEU A 5 -2.408 0.002 4.541 1.00 0.00 N ATOM 83 CA LEU A 5 -3.479 -0.054 3.552 1.00 0.00 C ATOM 84 C LEU A 5 -3.050 -0.836 2.315 1.00 0.00 C ATOM 85 O LEU A 5 -1.933 -0.678 1.825 1.00 0.00 O ATOM 86 CB LEU A 5 -3.904 1.361 3.146 1.00 0.00 C ATOM 87 CG LEU A 5 -5.012 1.428 2.092 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.304 0.840 2.639 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.231 2.862 1.634 1.00 0.00 C ATOM 0 H LEU A 5 -1.606 0.567 4.263 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.325 -0.569 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.238 1.893 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.030 1.891 2.767 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.701 0.837 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.081 0.896 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.141 -0.202 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.617 1.404 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.022 2.888 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.519 3.477 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.309 3.251 1.201 1.00 0.00 H new ATOM 101 N VAL A 6 -3.945 -1.683 1.819 1.00 0.00 N ATOM 102 CA VAL A 6 -3.661 -2.493 0.640 1.00 0.00 C ATOM 103 C VAL A 6 -4.617 -2.172 -0.504 1.00 0.00 C ATOM 104 O VAL A 6 -5.818 -2.003 -0.295 1.00 0.00 O ATOM 105 CB VAL A 6 -3.764 -3.996 0.962 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.283 -4.839 -0.212 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.981 -4.323 2.222 1.00 0.00 C ATOM 0 H VAL A 6 -4.874 -1.827 2.215 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.643 -2.253 0.334 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.812 -4.238 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.366 -5.896 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.896 -4.626 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.242 -4.599 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.064 -5.389 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.933 -4.063 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.384 -3.753 3.059 1.00 0.00 H new ATOM 117 N VAL A 7 -4.077 -2.099 -1.716 1.00 0.00 N ATOM 118 CA VAL A 7 -4.883 -1.814 -2.898 1.00 0.00 C ATOM 119 C VAL A 7 -4.603 -2.840 -3.989 1.00 0.00 C ATOM 120 O VAL A 7 -3.484 -2.931 -4.493 1.00 0.00 O ATOM 121 CB VAL A 7 -4.611 -0.401 -3.450 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.674 -0.009 -4.464 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.544 0.615 -2.318 1.00 0.00 C ATOM 0 H VAL A 7 -3.084 -2.233 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.929 -1.869 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.645 -0.411 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.465 0.992 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.667 -0.719 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.654 -0.019 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.351 1.606 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.492 0.624 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.741 0.344 -1.633 1.00 0.00 H new ATOM 133 N ASP A 8 -5.618 -3.621 -4.342 1.00 0.00 N ATOM 134 CA ASP A 8 -5.463 -4.647 -5.364 1.00 0.00 C ATOM 135 C ASP A 8 -6.803 -4.970 -6.016 1.00 0.00 C ATOM 136 O ASP A 8 -7.816 -5.126 -5.335 1.00 0.00 O ATOM 137 CB ASP A 8 -4.846 -5.906 -4.744 1.00 0.00 C ATOM 138 CG ASP A 8 -4.648 -7.026 -5.751 1.00 0.00 C ATOM 139 OD1 ASP A 8 -5.520 -7.206 -6.626 1.00 0.00 O ATOM 140 OD2 ASP A 8 -3.618 -7.725 -5.661 1.00 0.00 O ATOM 0 H ASP A 8 -6.552 -3.563 -3.937 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.796 -4.271 -6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.885 -5.651 -4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.488 -6.259 -3.937 1.00 0.00 H new ATOM 145 N ASP A 9 -6.799 -5.065 -7.342 1.00 0.00 N ATOM 146 CA ASP A 9 -8.013 -5.365 -8.092 1.00 0.00 C ATOM 147 C ASP A 9 -8.162 -6.868 -8.316 1.00 0.00 C ATOM 148 O ASP A 9 -8.396 -7.320 -9.437 1.00 0.00 O ATOM 149 CB ASP A 9 -7.997 -4.635 -9.437 1.00 0.00 C ATOM 150 CG ASP A 9 -9.309 -4.769 -10.184 1.00 0.00 C ATOM 151 OD1 ASP A 9 -10.372 -4.721 -9.530 1.00 0.00 O ATOM 152 OD2 ASP A 9 -9.274 -4.921 -11.423 1.00 0.00 O ATOM 0 H ASP A 9 -5.968 -4.938 -7.919 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.866 -5.020 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.783 -3.579 -9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.190 -5.031 -10.053 1.00 0.00 H new ATOM 157 N GLU A 10 -8.031 -7.638 -7.241 1.00 0.00 N ATOM 158 CA GLU A 10 -8.154 -9.089 -7.322 1.00 0.00 C ATOM 159 C GLU A 10 -9.511 -9.551 -6.800 1.00 0.00 C ATOM 160 O GLU A 10 -10.177 -10.379 -7.421 1.00 0.00 O ATOM 161 CB GLU A 10 -7.031 -9.766 -6.533 1.00 0.00 C ATOM 162 CG GLU A 10 -6.934 -9.305 -5.087 1.00 0.00 C ATOM 163 CD GLU A 10 -5.832 -10.011 -4.324 1.00 0.00 C ATOM 164 OE1 GLU A 10 -6.088 -11.114 -3.796 1.00 0.00 O ATOM 165 OE2 GLU A 10 -4.713 -9.462 -4.253 1.00 0.00 O ATOM 0 H GLU A 10 -7.840 -7.282 -6.304 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.072 -9.376 -8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.186 -10.845 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.081 -9.572 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.756 -8.230 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.887 -9.482 -4.588 1.00 0.00 H new ATOM 217 N THR A 14 -5.231 -9.599 -0.303 1.00 0.00 N ATOM 218 CA THR A 14 -4.139 -10.126 -1.107 1.00 0.00 C ATOM 219 C THR A 14 -3.602 -11.407 -0.478 1.00 0.00 C ATOM 220 O THR A 14 -3.434 -11.489 0.739 1.00 0.00 O ATOM 221 CB THR A 14 -3.024 -9.086 -1.261 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.218 -9.031 -0.100 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.541 -7.687 -1.526 1.00 0.00 C ATOM 0 HA THR A 14 -4.518 -10.357 -2.103 1.00 0.00 H new ATOM 0 HB THR A 14 -2.446 -9.415 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.280 -9.173 -0.346 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.700 -7.001 -1.625 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.123 -7.683 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.173 -7.369 -0.697 1.00 0.00 H new ATOM 231 N SER A 15 -3.355 -12.412 -1.309 1.00 0.00 N ATOM 232 CA SER A 15 -2.858 -13.699 -0.831 1.00 0.00 C ATOM 233 C SER A 15 -1.635 -13.541 0.070 1.00 0.00 C ATOM 234 O SER A 15 -0.679 -12.848 -0.279 1.00 0.00 O ATOM 235 CB SER A 15 -2.512 -14.602 -2.016 1.00 0.00 C ATOM 236 OG SER A 15 -3.486 -14.496 -3.040 1.00 0.00 O ATOM 0 H SER A 15 -3.490 -12.362 -2.319 1.00 0.00 H new ATOM 0 HA SER A 15 -3.652 -14.155 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.533 -14.330 -2.411 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.444 -15.637 -1.681 1.00 0.00 H new ATOM 0 HG SER A 15 -3.241 -15.082 -3.787 1.00 0.00 H new ATOM 242 N SER A 16 -1.672 -14.212 1.227 1.00 0.00 N ATOM 243 CA SER A 16 -0.570 -14.187 2.196 1.00 0.00 C ATOM 244 C SER A 16 -0.654 -12.997 3.153 1.00 0.00 C ATOM 245 O SER A 16 -0.225 -13.094 4.302 1.00 0.00 O ATOM 246 CB SER A 16 0.783 -14.181 1.479 1.00 0.00 C ATOM 247 OG SER A 16 0.720 -14.916 0.269 1.00 0.00 O ATOM 0 H SER A 16 -2.464 -14.786 1.517 1.00 0.00 H new ATOM 0 HA SER A 16 -0.662 -15.095 2.792 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.083 -13.154 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.545 -14.610 2.130 1.00 0.00 H new ATOM 0 HG SER A 16 0.531 -14.306 -0.475 1.00 0.00 H new ATOM 253 N LEU A 17 -1.194 -11.877 2.686 1.00 0.00 N ATOM 254 CA LEU A 17 -1.308 -10.684 3.521 1.00 0.00 C ATOM 255 C LEU A 17 -2.096 -10.978 4.797 1.00 0.00 C ATOM 256 O LEU A 17 -1.573 -10.844 5.904 1.00 0.00 O ATOM 257 CB LEU A 17 -1.992 -9.554 2.739 1.00 0.00 C ATOM 258 CG LEU A 17 -1.192 -8.248 2.543 1.00 0.00 C ATOM 259 CD1 LEU A 17 -2.061 -7.051 2.878 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.085 -8.223 3.377 1.00 0.00 C ATOM 0 H LEU A 17 -1.558 -11.769 1.739 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.302 -10.373 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.259 -9.938 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.924 -9.307 3.248 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.895 -8.201 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.488 -6.135 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.932 -7.039 2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.388 -7.118 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.613 -7.285 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.169 -8.309 4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.724 -9.057 3.089 1.00 0.00 H new ATOM 272 N SER A 18 -3.359 -11.368 4.632 1.00 0.00 N ATOM 273 CA SER A 18 -4.233 -11.672 5.765 1.00 0.00 C ATOM 274 C SER A 18 -3.508 -12.500 6.824 1.00 0.00 C ATOM 275 O SER A 18 -3.295 -12.041 7.947 1.00 0.00 O ATOM 276 CB SER A 18 -5.479 -12.416 5.286 1.00 0.00 C ATOM 277 OG SER A 18 -6.627 -12.011 6.012 1.00 0.00 O ATOM 0 H SER A 18 -3.802 -11.481 3.720 1.00 0.00 H new ATOM 0 HA SER A 18 -4.529 -10.726 6.219 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.632 -12.228 4.223 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.332 -13.490 5.402 1.00 0.00 H new ATOM 0 HG SER A 18 -7.410 -12.501 5.685 1.00 0.00 H new ATOM 283 N ALA A 19 -3.131 -13.721 6.460 1.00 0.00 N ATOM 284 CA ALA A 19 -2.430 -14.612 7.378 1.00 0.00 C ATOM 285 C ALA A 19 -1.246 -13.909 8.034 1.00 0.00 C ATOM 286 O ALA A 19 -0.981 -14.089 9.222 1.00 0.00 O ATOM 287 CB ALA A 19 -1.960 -15.857 6.644 1.00 0.00 C ATOM 0 H ALA A 19 -3.299 -14.117 5.535 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.127 -14.903 8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.438 -16.514 7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.821 -16.380 6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.284 -15.571 5.838 1.00 0.00 H new ATOM 293 N ILE A 20 -0.537 -13.109 7.245 1.00 0.00 N ATOM 294 CA ILE A 20 0.622 -12.376 7.740 1.00 0.00 C ATOM 295 C ILE A 20 0.210 -11.304 8.742 1.00 0.00 C ATOM 296 O ILE A 20 0.486 -11.430 9.933 1.00 0.00 O ATOM 297 CB ILE A 20 1.412 -11.737 6.579 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.092 -12.825 5.755 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.437 -10.740 7.101 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.412 -12.401 4.341 1.00 0.00 C ATOM 0 H ILE A 20 -0.745 -12.952 6.259 1.00 0.00 H new ATOM 0 HA ILE A 20 1.267 -13.093 8.247 1.00 0.00 H new ATOM 0 HB ILE A 20 0.714 -11.194 5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.014 -13.124 6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.447 -13.703 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.980 -10.304 6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.928 -9.950 7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.138 -11.251 7.761 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.894 -13.225 3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.491 -12.130 3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.082 -11.542 4.362 1.00 0.00 H new ATOM 312 N LEU A 21 -0.450 -10.253 8.264 1.00 0.00 N ATOM 313 CA LEU A 21 -0.896 -9.180 9.146 1.00 0.00 C ATOM 314 C LEU A 21 -1.601 -9.756 10.367 1.00 0.00 C ATOM 315 O LEU A 21 -1.560 -9.180 11.455 1.00 0.00 O ATOM 316 CB LEU A 21 -1.829 -8.242 8.395 1.00 0.00 C ATOM 317 CG LEU A 21 -1.238 -7.666 7.111 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.216 -7.817 5.960 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.850 -6.210 7.313 1.00 0.00 C ATOM 0 H LEU A 21 -0.686 -10.122 7.280 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.025 -8.618 9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.746 -8.779 8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.107 -7.420 9.054 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.336 -8.225 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.778 -7.401 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.435 -8.873 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.138 -7.285 6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.430 -5.814 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.733 -5.633 7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.108 -6.138 8.108 1.00 0.00 H new ATOM 331 N GLU A 22 -2.234 -10.911 10.178 1.00 0.00 N ATOM 332 CA GLU A 22 -2.933 -11.584 11.263 1.00 0.00 C ATOM 333 C GLU A 22 -1.947 -12.002 12.347 1.00 0.00 C ATOM 334 O GLU A 22 -2.291 -12.051 13.527 1.00 0.00 O ATOM 335 CB GLU A 22 -3.685 -12.804 10.740 1.00 0.00 C ATOM 336 CG GLU A 22 -5.092 -12.489 10.260 1.00 0.00 C ATOM 337 CD GLU A 22 -6.115 -13.497 10.748 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.216 -13.692 11.978 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.814 -14.092 9.901 1.00 0.00 O ATOM 0 H GLU A 22 -2.276 -11.398 9.283 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.654 -10.888 11.692 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.120 -13.245 9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.738 -13.554 11.529 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.375 -11.494 10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.103 -12.464 9.170 1.00 0.00 H new ATOM 346 N GLU A 23 -0.711 -12.283 11.938 1.00 0.00 N ATOM 347 CA GLU A 23 0.328 -12.674 12.872 1.00 0.00 C ATOM 348 C GLU A 23 0.862 -11.438 13.585 1.00 0.00 C ATOM 349 O GLU A 23 1.129 -11.467 14.786 1.00 0.00 O ATOM 350 CB GLU A 23 1.454 -13.399 12.130 1.00 0.00 C ATOM 351 CG GLU A 23 2.722 -13.565 12.950 1.00 0.00 C ATOM 352 CD GLU A 23 3.234 -14.992 12.955 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.678 -15.819 13.706 1.00 0.00 O ATOM 354 OE2 GLU A 23 4.191 -15.281 12.206 1.00 0.00 O ATOM 0 H GLU A 23 -0.410 -12.245 10.964 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.087 -13.356 13.614 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.100 -14.383 11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.691 -12.848 11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.495 -12.907 12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.531 -13.249 13.975 1.00 0.00 H new ATOM 361 N GLU A 24 1.001 -10.350 12.834 1.00 0.00 N ATOM 362 CA GLU A 24 1.488 -9.098 13.394 1.00 0.00 C ATOM 363 C GLU A 24 0.370 -8.377 14.142 1.00 0.00 C ATOM 364 O GLU A 24 -0.728 -8.911 14.299 1.00 0.00 O ATOM 365 CB GLU A 24 2.050 -8.197 12.292 1.00 0.00 C ATOM 366 CG GLU A 24 3.226 -8.809 11.549 1.00 0.00 C ATOM 367 CD GLU A 24 4.491 -8.839 12.385 1.00 0.00 C ATOM 368 OE1 GLU A 24 4.684 -7.914 13.202 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.287 -9.787 12.222 1.00 0.00 O ATOM 0 H GLU A 24 0.783 -10.312 11.838 1.00 0.00 H new ATOM 0 HA GLU A 24 2.289 -9.328 14.097 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.257 -7.972 11.579 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.362 -7.250 12.732 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.971 -9.824 11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.411 -8.241 10.637 1.00 0.00 H new ATOM 376 N GLY A 25 0.654 -7.162 14.601 1.00 0.00 N ATOM 377 CA GLY A 25 -0.341 -6.391 15.323 1.00 0.00 C ATOM 378 C GLY A 25 -0.757 -5.147 14.567 1.00 0.00 C ATOM 379 O GLY A 25 -0.884 -4.070 15.149 1.00 0.00 O ATOM 0 H GLY A 25 1.555 -6.698 14.486 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.217 -7.013 15.507 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.058 -6.106 16.297 1.00 0.00 H new ATOM 383 N TYR A 26 -0.958 -5.296 13.263 1.00 0.00 N ATOM 384 CA TYR A 26 -1.350 -4.174 12.416 1.00 0.00 C ATOM 385 C TYR A 26 -2.843 -4.188 12.117 1.00 0.00 C ATOM 386 O TYR A 26 -3.572 -5.092 12.525 1.00 0.00 O ATOM 387 CB TYR A 26 -0.587 -4.215 11.092 1.00 0.00 C ATOM 388 CG TYR A 26 0.914 -4.111 11.231 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.491 -3.384 12.262 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.752 -4.739 10.320 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.863 -3.285 12.382 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.123 -4.646 10.432 1.00 0.00 C ATOM 393 CZ TYR A 26 3.676 -3.917 11.465 1.00 0.00 C ATOM 394 OH TYR A 26 5.043 -3.821 11.581 1.00 0.00 O ATOM 0 H TYR A 26 -0.856 -6.182 12.768 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.109 -3.262 12.962 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.828 -5.145 10.577 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.938 -3.400 10.459 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.857 -2.888 12.982 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.323 -5.310 9.510 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.297 -2.715 13.190 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.761 -5.141 9.715 1.00 0.00 H new ATOM 0 HH TYR A 26 5.468 -4.502 11.019 1.00 0.00 H new ATOM 404 N HIS A 27 -3.272 -3.181 11.368 1.00 0.00 N ATOM 405 CA HIS A 27 -4.661 -3.048 10.954 1.00 0.00 C ATOM 406 C HIS A 27 -4.707 -2.875 9.440 1.00 0.00 C ATOM 407 O HIS A 27 -4.700 -1.755 8.931 1.00 0.00 O ATOM 408 CB HIS A 27 -5.320 -1.854 11.648 1.00 0.00 C ATOM 409 CG HIS A 27 -6.706 -2.138 12.139 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.832 -1.564 11.589 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.145 -2.945 13.134 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.904 -2.003 12.224 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.514 -2.843 13.166 1.00 0.00 N ATOM 0 H HIS A 27 -2.666 -2.433 11.030 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.212 -3.944 11.239 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.701 -1.547 12.491 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.354 -1.014 10.954 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.533 -3.555 13.782 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.925 -1.723 12.010 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.130 -3.336 13.812 1.00 0.00 H new ATOM 422 N PRO A 28 -4.712 -3.994 8.702 1.00 0.00 N ATOM 423 CA PRO A 28 -4.710 -3.976 7.240 1.00 0.00 C ATOM 424 C PRO A 28 -6.077 -3.719 6.621 1.00 0.00 C ATOM 425 O PRO A 28 -7.052 -4.410 6.917 1.00 0.00 O ATOM 426 CB PRO A 28 -4.219 -5.377 6.884 1.00 0.00 C ATOM 427 CG PRO A 28 -4.684 -6.237 8.007 1.00 0.00 C ATOM 428 CD PRO A 28 -4.683 -5.368 9.239 1.00 0.00 C ATOM 0 HA PRO A 28 -4.093 -3.163 6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.632 -5.711 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.134 -5.404 6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.682 -6.628 7.809 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.025 -7.095 8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.548 -5.569 9.871 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.796 -5.540 9.849 1.00 0.00 H new ATOM 436 N ASP A 29 -6.124 -2.732 5.733 1.00 0.00 N ATOM 437 CA ASP A 29 -7.345 -2.379 5.026 1.00 0.00 C ATOM 438 C ASP A 29 -7.114 -2.562 3.532 1.00 0.00 C ATOM 439 O ASP A 29 -6.251 -1.908 2.949 1.00 0.00 O ATOM 440 CB ASP A 29 -7.752 -0.936 5.335 1.00 0.00 C ATOM 441 CG ASP A 29 -8.975 -0.496 4.553 1.00 0.00 C ATOM 442 OD1 ASP A 29 -8.913 -0.489 3.306 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.996 -0.158 5.190 1.00 0.00 O ATOM 0 H ASP A 29 -5.319 -2.157 5.485 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.157 -3.028 5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.953 -0.839 6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.920 -0.270 5.106 1.00 0.00 H new ATOM 448 N THR A 30 -7.861 -3.468 2.918 1.00 0.00 N ATOM 449 CA THR A 30 -7.695 -3.740 1.497 1.00 0.00 C ATOM 450 C THR A 30 -8.807 -3.119 0.662 1.00 0.00 C ATOM 451 O THR A 30 -9.968 -3.090 1.069 1.00 0.00 O ATOM 452 CB THR A 30 -7.644 -5.247 1.253 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.920 -5.829 1.452 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.663 -5.964 2.155 1.00 0.00 C ATOM 0 H THR A 30 -8.583 -4.024 3.377 1.00 0.00 H new ATOM 0 HA THR A 30 -6.754 -3.285 1.186 1.00 0.00 H new ATOM 0 HB THR A 30 -7.315 -5.364 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.868 -6.794 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.675 -7.031 1.931 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.661 -5.570 1.989 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.946 -5.809 3.196 1.00 0.00 H new ATOM 462 N ALA A 31 -8.435 -2.640 -0.518 1.00 0.00 N ATOM 463 CA ALA A 31 -9.384 -2.033 -1.439 1.00 0.00 C ATOM 464 C ALA A 31 -9.492 -2.872 -2.706 1.00 0.00 C ATOM 465 O ALA A 31 -9.026 -4.011 -2.745 1.00 0.00 O ATOM 466 CB ALA A 31 -8.964 -0.609 -1.774 1.00 0.00 C ATOM 0 H ALA A 31 -7.475 -2.661 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.363 -1.996 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.685 -0.170 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.928 -0.016 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.978 -0.620 -2.238 1.00 0.00 H new ATOM 472 N LYS A 32 -10.109 -2.316 -3.740 1.00 0.00 N ATOM 473 CA LYS A 32 -10.269 -3.038 -5.000 1.00 0.00 C ATOM 474 C LYS A 32 -9.837 -2.191 -6.197 1.00 0.00 C ATOM 475 O LYS A 32 -9.786 -2.682 -7.325 1.00 0.00 O ATOM 476 CB LYS A 32 -11.722 -3.487 -5.186 1.00 0.00 C ATOM 477 CG LYS A 32 -12.503 -3.593 -3.886 1.00 0.00 C ATOM 478 CD LYS A 32 -14.001 -3.662 -4.140 1.00 0.00 C ATOM 479 CE LYS A 32 -14.791 -3.500 -2.851 1.00 0.00 C ATOM 480 NZ LYS A 32 -16.067 -2.765 -3.072 1.00 0.00 N ATOM 0 H LYS A 32 -10.505 -1.376 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.623 -3.915 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.228 -2.783 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.732 -4.456 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.184 -4.481 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.279 -2.733 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.288 -2.882 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.249 -4.617 -4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.006 -4.482 -2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.186 -2.965 -2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.577 -2.675 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.861 -1.818 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.656 -3.288 -3.751 1.00 0.00 H new ATOM 494 N THR A 33 -9.522 -0.924 -5.952 1.00 0.00 N ATOM 495 CA THR A 33 -9.092 -0.023 -7.011 1.00 0.00 C ATOM 496 C THR A 33 -8.582 1.283 -6.415 1.00 0.00 C ATOM 497 O THR A 33 -8.667 1.496 -5.206 1.00 0.00 O ATOM 498 CB THR A 33 -10.241 0.251 -7.991 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.082 1.508 -8.626 1.00 0.00 O ATOM 500 CG2 THR A 33 -11.608 0.240 -7.339 1.00 0.00 C ATOM 0 H THR A 33 -9.557 -0.498 -5.026 1.00 0.00 H new ATOM 0 HA THR A 33 -8.280 -0.500 -7.561 1.00 0.00 H new ATOM 0 HB THR A 33 -10.192 -0.564 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.826 1.658 -9.246 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.371 0.441 -8.091 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.789 -0.737 -6.890 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.649 1.008 -6.566 1.00 0.00 H new ATOM 508 N LEU A 34 -8.065 2.157 -7.266 1.00 0.00 N ATOM 509 CA LEU A 34 -7.558 3.442 -6.808 1.00 0.00 C ATOM 510 C LEU A 34 -8.699 4.297 -6.274 1.00 0.00 C ATOM 511 O LEU A 34 -8.520 5.072 -5.335 1.00 0.00 O ATOM 512 CB LEU A 34 -6.831 4.168 -7.941 1.00 0.00 C ATOM 513 CG LEU A 34 -5.583 3.458 -8.468 1.00 0.00 C ATOM 514 CD1 LEU A 34 -5.068 4.143 -9.725 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.501 3.417 -7.398 1.00 0.00 C ATOM 0 H LEU A 34 -7.986 2.002 -8.271 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.846 3.267 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.527 4.308 -8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.546 5.161 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.852 2.433 -8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.180 3.623 -10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.839 4.119 -10.495 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.815 5.179 -9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.620 2.908 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.235 4.434 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.872 2.879 -6.526 1.00 0.00 H new ATOM 527 N ARG A 35 -9.876 4.137 -6.870 1.00 0.00 N ATOM 528 CA ARG A 35 -11.052 4.883 -6.442 1.00 0.00 C ATOM 529 C ARG A 35 -11.514 4.389 -5.076 1.00 0.00 C ATOM 530 O ARG A 35 -11.897 5.180 -4.213 1.00 0.00 O ATOM 531 CB ARG A 35 -12.181 4.734 -7.463 1.00 0.00 C ATOM 532 CG ARG A 35 -11.747 5.011 -8.894 1.00 0.00 C ATOM 533 CD ARG A 35 -12.627 4.279 -9.895 1.00 0.00 C ATOM 534 NE ARG A 35 -12.627 4.930 -11.202 1.00 0.00 N ATOM 535 CZ ARG A 35 -13.053 4.348 -12.320 1.00 0.00 C ATOM 536 NH1 ARG A 35 -13.516 3.104 -12.294 1.00 0.00 N ATOM 537 NH2 ARG A 35 -13.018 5.011 -13.468 1.00 0.00 N ATOM 0 H ARG A 35 -10.040 3.499 -7.649 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.787 5.938 -6.368 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.583 3.723 -7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.991 5.415 -7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.789 6.083 -9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.710 4.703 -9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.278 3.252 -10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.647 4.231 -9.514 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.280 5.887 -11.261 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.546 2.589 -11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.841 2.663 -13.154 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.664 5.967 -13.494 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.345 4.565 -14.325 1.00 0.00 H new ATOM 551 N GLU A 36 -11.461 3.074 -4.886 1.00 0.00 N ATOM 552 CA GLU A 36 -11.860 2.468 -3.622 1.00 0.00 C ATOM 553 C GLU A 36 -10.877 2.845 -2.520 1.00 0.00 C ATOM 554 O GLU A 36 -11.267 3.058 -1.371 1.00 0.00 O ATOM 555 CB GLU A 36 -11.940 0.945 -3.759 1.00 0.00 C ATOM 556 CG GLU A 36 -13.203 0.463 -4.457 1.00 0.00 C ATOM 557 CD GLU A 36 -14.463 0.824 -3.695 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.380 1.009 -2.463 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.534 0.921 -4.332 1.00 0.00 O ATOM 0 H GLU A 36 -11.146 2.409 -5.592 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.847 2.846 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.071 0.592 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.889 0.496 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.250 0.897 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.155 -0.619 -4.581 1.00 0.00 H new ATOM 566 N ALA A 37 -9.599 2.937 -2.879 1.00 0.00 N ATOM 567 CA ALA A 37 -8.567 3.300 -1.918 1.00 0.00 C ATOM 568 C ALA A 37 -8.648 4.781 -1.579 1.00 0.00 C ATOM 569 O ALA A 37 -8.671 5.157 -0.408 1.00 0.00 O ATOM 570 CB ALA A 37 -7.188 2.950 -2.457 1.00 0.00 C ATOM 0 H ALA A 37 -9.257 2.766 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.734 2.730 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.430 3.229 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.133 1.878 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.012 3.492 -3.386 1.00 0.00 H new ATOM 576 N GLU A 38 -8.698 5.622 -2.611 1.00 0.00 N ATOM 577 CA GLU A 38 -8.783 7.064 -2.414 1.00 0.00 C ATOM 578 C GLU A 38 -9.849 7.396 -1.384 1.00 0.00 C ATOM 579 O GLU A 38 -9.615 8.187 -0.472 1.00 0.00 O ATOM 580 CB GLU A 38 -9.081 7.769 -3.733 1.00 0.00 C ATOM 581 CG GLU A 38 -8.253 9.023 -3.952 1.00 0.00 C ATOM 582 CD GLU A 38 -8.316 9.523 -5.381 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.447 8.684 -6.298 1.00 0.00 O ATOM 584 OE2 GLU A 38 -8.235 10.752 -5.585 1.00 0.00 O ATOM 0 H GLU A 38 -8.681 5.329 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.820 7.418 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.900 7.076 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.138 8.032 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.604 9.807 -3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.215 8.819 -3.688 1.00 0.00 H new ATOM 591 N LYS A 39 -11.013 6.769 -1.514 1.00 0.00 N ATOM 592 CA LYS A 39 -12.094 6.988 -0.566 1.00 0.00 C ATOM 593 C LYS A 39 -11.627 6.598 0.830 1.00 0.00 C ATOM 594 O LYS A 39 -11.706 7.391 1.768 1.00 0.00 O ATOM 595 CB LYS A 39 -13.326 6.171 -0.958 1.00 0.00 C ATOM 596 CG LYS A 39 -14.504 6.357 -0.014 1.00 0.00 C ATOM 597 CD LYS A 39 -14.687 5.151 0.895 1.00 0.00 C ATOM 598 CE LYS A 39 -16.158 4.814 1.083 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.359 3.380 1.429 1.00 0.00 N ATOM 0 H LYS A 39 -11.229 6.110 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.368 8.043 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.631 6.450 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.057 5.115 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.349 7.250 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.413 6.519 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.167 4.292 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.232 5.352 1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.576 5.440 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.704 5.047 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.375 3.191 1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.983 2.783 0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.860 3.163 2.315 1.00 0.00 H new ATOM 613 N LYS A 40 -11.127 5.371 0.952 1.00 0.00 N ATOM 614 CA LYS A 40 -10.633 4.871 2.228 1.00 0.00 C ATOM 615 C LYS A 40 -9.521 5.768 2.769 1.00 0.00 C ATOM 616 O LYS A 40 -9.280 5.812 3.974 1.00 0.00 O ATOM 617 CB LYS A 40 -10.120 3.438 2.074 1.00 0.00 C ATOM 618 CG LYS A 40 -11.136 2.490 1.461 1.00 0.00 C ATOM 619 CD LYS A 40 -11.883 1.707 2.529 1.00 0.00 C ATOM 620 CE LYS A 40 -12.912 0.771 1.916 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.351 -0.586 1.669 1.00 0.00 N ATOM 0 H LYS A 40 -11.054 4.706 0.182 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.460 4.878 2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.224 3.447 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.827 3.059 3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.847 3.056 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.630 1.798 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.173 1.131 3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.379 2.399 3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.773 0.693 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.271 1.192 0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.084 -1.194 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.545 -0.515 1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.031 -0.998 2.569 1.00 0.00 H new ATOM 635 N ILE A 41 -8.844 6.483 1.872 1.00 0.00 N ATOM 636 CA ILE A 41 -7.761 7.374 2.273 1.00 0.00 C ATOM 637 C ILE A 41 -8.233 8.824 2.371 1.00 0.00 C ATOM 638 O ILE A 41 -7.523 9.680 2.899 1.00 0.00 O ATOM 639 CB ILE A 41 -6.583 7.296 1.286 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.162 5.840 1.073 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.409 8.123 1.793 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.477 5.595 -0.254 1.00 0.00 C ATOM 0 H ILE A 41 -9.026 6.462 0.869 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.431 7.042 3.257 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.904 7.706 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.491 5.543 1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.043 5.202 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.584 8.057 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.715 9.164 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.086 7.741 2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.207 4.542 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.153 5.860 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.577 6.206 -0.317 1.00 0.00 H new ATOM 654 N LYS A 42 -9.431 9.098 1.862 1.00 0.00 N ATOM 655 CA LYS A 42 -9.987 10.446 1.897 1.00 0.00 C ATOM 656 C LYS A 42 -10.433 10.826 3.307 1.00 0.00 C ATOM 657 O LYS A 42 -10.749 11.985 3.575 1.00 0.00 O ATOM 658 CB LYS A 42 -11.163 10.560 0.932 1.00 0.00 C ATOM 659 CG LYS A 42 -10.765 11.014 -0.463 1.00 0.00 C ATOM 660 CD LYS A 42 -11.886 11.790 -1.140 1.00 0.00 C ATOM 661 CE LYS A 42 -11.392 13.112 -1.705 1.00 0.00 C ATOM 662 NZ LYS A 42 -12.328 14.230 -1.402 1.00 0.00 N ATOM 0 H LYS A 42 -10.035 8.404 1.421 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.202 11.137 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.660 9.592 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.890 11.262 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.874 11.639 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.505 10.146 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.313 11.188 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.685 11.977 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.409 13.339 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.271 13.023 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.955 15.114 -1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.259 14.026 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.424 14.332 -0.372 1.00 0.00 H new ATOM 676 N GLU A 43 -10.457 9.847 4.207 1.00 0.00 N ATOM 677 CA GLU A 43 -10.864 10.088 5.585 1.00 0.00 C ATOM 678 C GLU A 43 -9.919 9.392 6.557 1.00 0.00 C ATOM 679 O GLU A 43 -9.475 9.985 7.540 1.00 0.00 O ATOM 680 CB GLU A 43 -12.297 9.604 5.809 1.00 0.00 C ATOM 681 CG GLU A 43 -13.312 10.269 4.894 1.00 0.00 C ATOM 682 CD GLU A 43 -14.739 10.084 5.376 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.969 10.187 6.599 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.623 9.837 4.530 1.00 0.00 O ATOM 0 H GLU A 43 -10.199 8.881 4.006 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.821 11.161 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.335 8.525 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.577 9.791 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.091 11.334 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.215 9.857 3.889 1.00 0.00 H new ATOM 691 N LEU A 44 -9.614 8.132 6.272 1.00 0.00 N ATOM 692 CA LEU A 44 -8.719 7.353 7.118 1.00 0.00 C ATOM 693 C LEU A 44 -7.271 7.782 6.910 1.00 0.00 C ATOM 694 O LEU A 44 -6.719 7.631 5.821 1.00 0.00 O ATOM 695 CB LEU A 44 -8.869 5.861 6.816 1.00 0.00 C ATOM 696 CG LEU A 44 -9.163 4.978 8.029 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.015 5.037 9.024 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.466 5.402 8.687 1.00 0.00 C ATOM 0 H LEU A 44 -9.973 7.628 5.461 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.989 7.534 8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.672 5.732 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.952 5.508 6.343 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.267 3.947 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.243 4.402 9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.100 4.687 8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.878 6.065 9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.663 4.765 9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.388 6.439 9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.283 5.307 7.972 1.00 0.00 H new ATOM 710 N PHE A 45 -6.661 8.310 7.963 1.00 0.00 N ATOM 711 CA PHE A 45 -5.275 8.756 7.896 1.00 0.00 C ATOM 712 C PHE A 45 -4.333 7.557 7.857 1.00 0.00 C ATOM 713 O PHE A 45 -3.543 7.342 8.776 1.00 0.00 O ATOM 714 CB PHE A 45 -4.942 9.648 9.094 1.00 0.00 C ATOM 715 CG PHE A 45 -3.665 10.424 8.929 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.438 11.173 7.787 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.694 10.401 9.917 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.264 11.887 7.632 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.519 11.112 9.768 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.303 11.856 8.625 1.00 0.00 C ATOM 0 H PHE A 45 -7.103 8.440 8.873 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.143 9.335 6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.763 10.346 9.256 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.868 9.029 9.988 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.186 11.200 7.009 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.857 9.821 10.813 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.098 12.468 6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.770 11.086 10.545 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.385 12.413 8.507 1.00 0.00 H new ATOM 730 N PHE A 46 -4.430 6.774 6.787 1.00 0.00 N ATOM 731 CA PHE A 46 -3.594 5.591 6.630 1.00 0.00 C ATOM 732 C PHE A 46 -2.110 5.957 6.668 1.00 0.00 C ATOM 733 O PHE A 46 -1.629 6.718 5.829 1.00 0.00 O ATOM 734 CB PHE A 46 -3.928 4.876 5.320 1.00 0.00 C ATOM 735 CG PHE A 46 -5.087 3.926 5.436 1.00 0.00 C ATOM 736 CD1 PHE A 46 -4.994 2.793 6.228 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.270 4.171 4.758 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.061 1.920 6.341 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.340 3.301 4.867 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.234 2.176 5.660 1.00 0.00 C ATOM 0 H PHE A 46 -5.079 6.938 6.017 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.799 4.919 7.463 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.153 5.620 4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.050 4.326 4.981 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.078 2.589 6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.358 5.051 4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.976 1.040 6.961 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.257 3.502 4.333 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.069 1.496 5.748 1.00 0.00 H new ATOM 750 N PRO A 47 -1.362 5.412 7.646 1.00 0.00 N ATOM 751 CA PRO A 47 0.071 5.679 7.788 1.00 0.00 C ATOM 752 C PRO A 47 0.879 5.055 6.663 1.00 0.00 C ATOM 753 O PRO A 47 1.771 5.686 6.103 1.00 0.00 O ATOM 754 CB PRO A 47 0.432 5.019 9.121 1.00 0.00 C ATOM 755 CG PRO A 47 -0.596 3.961 9.309 1.00 0.00 C ATOM 756 CD PRO A 47 -1.853 4.489 8.680 1.00 0.00 C ATOM 0 HA PRO A 47 0.291 6.746 7.753 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.436 4.595 9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.412 5.740 9.938 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.286 3.028 8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.749 3.749 10.367 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.453 3.687 8.249 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.481 5.001 9.409 1.00 0.00 H new ATOM 764 N VAL A 48 0.567 3.803 6.347 1.00 0.00 N ATOM 765 CA VAL A 48 1.272 3.086 5.297 1.00 0.00 C ATOM 766 C VAL A 48 0.332 2.682 4.166 1.00 0.00 C ATOM 767 O VAL A 48 -0.683 2.030 4.394 1.00 0.00 O ATOM 768 CB VAL A 48 1.958 1.826 5.853 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.857 1.193 4.803 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.745 2.166 7.107 1.00 0.00 C ATOM 0 H VAL A 48 -0.170 3.266 6.804 1.00 0.00 H new ATOM 0 HA VAL A 48 2.027 3.766 4.903 1.00 0.00 H new ATOM 0 HB VAL A 48 1.189 1.100 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.331 0.304 5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.261 0.914 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.624 1.907 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.225 1.266 7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.505 2.910 6.869 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.070 2.567 7.863 1.00 0.00 H new ATOM 780 N ILE A 49 0.678 3.081 2.946 1.00 0.00 N ATOM 781 CA ILE A 49 -0.137 2.762 1.778 1.00 0.00 C ATOM 782 C ILE A 49 0.555 1.733 0.887 1.00 0.00 C ATOM 783 O ILE A 49 1.716 1.902 0.512 1.00 0.00 O ATOM 784 CB ILE A 49 -0.445 4.020 0.943 1.00 0.00 C ATOM 785 CG1 ILE A 49 -0.791 5.200 1.855 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.583 3.745 -0.029 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.021 4.965 2.705 1.00 0.00 C ATOM 0 H ILE A 49 1.516 3.625 2.740 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.072 2.346 2.153 1.00 0.00 H new ATOM 0 HB ILE A 49 0.445 4.280 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.058 5.406 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.946 6.089 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.789 4.643 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.300 2.934 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.476 3.461 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.207 5.841 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.881 4.789 2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.862 4.096 3.343 1.00 0.00 H new ATOM 799 N VAL A 50 -0.165 0.665 0.554 1.00 0.00 N ATOM 800 CA VAL A 50 0.381 -0.392 -0.290 1.00 0.00 C ATOM 801 C VAL A 50 -0.479 -0.607 -1.530 1.00 0.00 C ATOM 802 O VAL A 50 -1.553 -1.203 -1.462 1.00 0.00 O ATOM 803 CB VAL A 50 0.499 -1.720 0.480 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.104 -2.804 -0.400 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.328 -1.521 1.735 1.00 0.00 C ATOM 0 H VAL A 50 -1.127 0.509 0.856 1.00 0.00 H new ATOM 0 HA VAL A 50 1.376 -0.070 -0.596 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.501 -2.044 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.177 -3.733 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.470 -2.960 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.098 -2.497 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.406 -2.466 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.325 -1.176 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.849 -0.778 2.373 1.00 0.00 H new ATOM 815 N LEU A 51 0.009 -0.114 -2.660 1.00 0.00 N ATOM 816 CA LEU A 51 -0.705 -0.246 -3.925 1.00 0.00 C ATOM 817 C LEU A 51 -0.250 -1.490 -4.681 1.00 0.00 C ATOM 818 O LEU A 51 0.614 -1.417 -5.555 1.00 0.00 O ATOM 819 CB LEU A 51 -0.492 0.999 -4.788 1.00 0.00 C ATOM 820 CG LEU A 51 -1.132 0.941 -6.177 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.613 0.617 -6.069 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.923 2.256 -6.913 1.00 0.00 C ATOM 0 H LEU A 51 0.898 0.382 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.768 -0.348 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.891 1.863 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.579 1.163 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.649 0.147 -6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.051 0.580 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.739 -0.349 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.112 1.388 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.384 2.198 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.380 3.067 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.145 2.446 -7.022 1.00 0.00 H new ATOM 834 N ASP A 52 -0.835 -2.631 -4.337 1.00 0.00 N ATOM 835 CA ASP A 52 -0.490 -3.895 -4.979 1.00 0.00 C ATOM 836 C ASP A 52 -1.040 -3.959 -6.402 1.00 0.00 C ATOM 837 O ASP A 52 -2.029 -4.643 -6.664 1.00 0.00 O ATOM 838 CB ASP A 52 -1.024 -5.069 -4.156 1.00 0.00 C ATOM 839 CG ASP A 52 -0.042 -6.223 -4.095 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.829 -6.214 -3.199 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.145 -7.135 -4.941 1.00 0.00 O ATOM 0 H ASP A 52 -1.552 -2.708 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 52 0.597 -3.961 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.246 -4.730 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.962 -5.416 -4.588 1.00 0.00 H new ATOM 846 N VAL A 53 -0.389 -3.245 -7.317 1.00 0.00 N ATOM 847 CA VAL A 53 -0.806 -3.222 -8.718 1.00 0.00 C ATOM 848 C VAL A 53 -0.879 -4.636 -9.297 1.00 0.00 C ATOM 849 O VAL A 53 0.072 -5.110 -9.918 1.00 0.00 O ATOM 850 CB VAL A 53 0.153 -2.368 -9.580 1.00 0.00 C ATOM 851 CG1 VAL A 53 1.598 -2.791 -9.366 1.00 0.00 C ATOM 852 CG2 VAL A 53 -0.216 -2.462 -11.053 1.00 0.00 C ATOM 0 H VAL A 53 0.431 -2.673 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.799 -2.773 -8.744 1.00 0.00 H new ATOM 0 HB VAL A 53 0.051 -1.329 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.252 -2.176 -9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.863 -2.663 -8.316 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.716 -3.838 -9.645 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.472 -1.853 -11.640 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.151 -3.500 -11.379 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.234 -2.100 -11.197 1.00 0.00 H new ATOM 862 N TRP A 54 -2.011 -5.302 -9.093 1.00 0.00 N ATOM 863 CA TRP A 54 -2.201 -6.657 -9.598 1.00 0.00 C ATOM 864 C TRP A 54 -2.717 -6.631 -11.037 1.00 0.00 C ATOM 865 O TRP A 54 -1.940 -6.748 -11.983 1.00 0.00 O ATOM 866 CB TRP A 54 -3.164 -7.430 -8.692 1.00 0.00 C ATOM 867 CG TRP A 54 -3.441 -8.825 -9.163 1.00 0.00 C ATOM 868 CD1 TRP A 54 -4.665 -9.407 -9.319 1.00 0.00 C ATOM 869 CD2 TRP A 54 -2.475 -9.814 -9.535 1.00 0.00 C ATOM 870 NE1 TRP A 54 -4.520 -10.697 -9.769 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.186 -10.971 -9.909 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.079 -9.834 -9.590 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -2.546 -12.133 -10.331 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -0.445 -10.988 -10.009 1.00 0.00 C ATOM 875 CH2 TRP A 54 -1.178 -12.124 -10.376 1.00 0.00 C ATOM 0 H TRP A 54 -2.810 -4.926 -8.582 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.237 -7.166 -9.594 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.748 -7.471 -7.685 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.105 -6.884 -8.626 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.610 -8.924 -9.118 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.282 -11.345 -9.967 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.506 -8.963 -9.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.109 -13.011 -10.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.634 -11.015 -10.054 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.653 -13.010 -10.701 1.00 0.00 H new ATOM 886 N MET A 55 -4.028 -6.468 -11.199 1.00 0.00 N ATOM 887 CA MET A 55 -4.630 -6.416 -12.526 1.00 0.00 C ATOM 888 C MET A 55 -5.762 -5.389 -12.578 1.00 0.00 C ATOM 889 O MET A 55 -6.854 -5.683 -13.064 1.00 0.00 O ATOM 890 CB MET A 55 -5.152 -7.800 -12.929 1.00 0.00 C ATOM 891 CG MET A 55 -6.345 -8.271 -12.109 1.00 0.00 C ATOM 892 SD MET A 55 -7.572 -9.140 -13.103 1.00 0.00 S ATOM 893 CE MET A 55 -8.464 -7.764 -13.823 1.00 0.00 C ATOM 0 H MET A 55 -4.691 -6.370 -10.430 1.00 0.00 H new ATOM 0 HA MET A 55 -3.860 -6.108 -13.233 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.433 -7.779 -13.982 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.345 -8.526 -12.828 1.00 0.00 H new ATOM 0 HG2 MET A 55 -5.997 -8.929 -11.313 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.814 -7.411 -11.630 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.388 -8.125 -14.274 1.00 0.00 H new ATOM 0 HE2 MET A 55 -8.700 -7.037 -13.046 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.848 -7.291 -14.588 1.00 0.00 H new ATOM 903 N PRO A 56 -5.516 -4.164 -12.078 1.00 0.00 N ATOM 904 CA PRO A 56 -6.522 -3.099 -12.074 1.00 0.00 C ATOM 905 C PRO A 56 -6.702 -2.469 -13.452 1.00 0.00 C ATOM 906 O PRO A 56 -6.211 -2.989 -14.453 1.00 0.00 O ATOM 907 CB PRO A 56 -5.948 -2.082 -11.091 1.00 0.00 C ATOM 908 CG PRO A 56 -4.472 -2.258 -11.191 1.00 0.00 C ATOM 909 CD PRO A 56 -4.241 -3.717 -11.478 1.00 0.00 C ATOM 0 HA PRO A 56 -7.511 -3.468 -11.800 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.245 -1.066 -11.352 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.302 -2.267 -10.077 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.059 -1.635 -11.984 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.981 -1.961 -10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.404 -3.863 -12.161 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.010 -4.272 -10.569 1.00 0.00 H new ATOM 917 N ASP A 57 -7.408 -1.343 -13.493 1.00 0.00 N ATOM 918 CA ASP A 57 -7.651 -0.639 -14.747 1.00 0.00 C ATOM 919 C ASP A 57 -7.485 0.866 -14.566 1.00 0.00 C ATOM 920 O ASP A 57 -8.145 1.658 -15.238 1.00 0.00 O ATOM 921 CB ASP A 57 -9.056 -0.950 -15.266 1.00 0.00 C ATOM 922 CG ASP A 57 -9.292 -2.438 -15.438 1.00 0.00 C ATOM 923 OD1 ASP A 57 -8.391 -3.127 -15.961 1.00 0.00 O ATOM 924 OD2 ASP A 57 -10.380 -2.915 -15.050 1.00 0.00 O ATOM 0 H ASP A 57 -7.821 -0.899 -12.673 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.917 -0.982 -15.476 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.794 -0.545 -14.573 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.207 -0.448 -16.222 1.00 0.00 H new ATOM 929 N GLY A 58 -6.597 1.253 -13.656 1.00 0.00 N ATOM 930 CA GLY A 58 -6.359 2.662 -13.403 1.00 0.00 C ATOM 931 C GLY A 58 -4.888 3.021 -13.458 1.00 0.00 C ATOM 932 O GLY A 58 -4.034 2.147 -13.611 1.00 0.00 O ATOM 0 H GLY A 58 -6.038 0.616 -13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.902 3.257 -14.137 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.757 2.924 -12.423 1.00 0.00 H new ATOM 936 N ASP A 59 -4.590 4.310 -13.332 1.00 0.00 N ATOM 937 CA ASP A 59 -3.211 4.783 -13.367 1.00 0.00 C ATOM 938 C ASP A 59 -2.704 5.086 -11.961 1.00 0.00 C ATOM 939 O ASP A 59 -2.898 6.186 -11.444 1.00 0.00 O ATOM 940 CB ASP A 59 -3.102 6.032 -14.243 1.00 0.00 C ATOM 941 CG ASP A 59 -3.458 5.758 -15.691 1.00 0.00 C ATOM 942 OD1 ASP A 59 -4.556 5.215 -15.939 1.00 0.00 O ATOM 943 OD2 ASP A 59 -2.639 6.084 -16.577 1.00 0.00 O ATOM 0 H ASP A 59 -5.285 5.046 -13.205 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.592 3.994 -13.793 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.761 6.806 -13.850 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.086 6.422 -14.190 1.00 0.00 H new ATOM 948 N GLY A 60 -2.055 4.101 -11.348 1.00 0.00 N ATOM 949 CA GLY A 60 -1.530 4.280 -10.007 1.00 0.00 C ATOM 950 C GLY A 60 -0.486 5.378 -9.930 1.00 0.00 C ATOM 951 O GLY A 60 -0.277 5.971 -8.872 1.00 0.00 O ATOM 0 H GLY A 60 -1.883 3.182 -11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.350 4.515 -9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.092 3.343 -9.664 1.00 0.00 H new ATOM 955 N VAL A 61 0.171 5.648 -11.054 1.00 0.00 N ATOM 956 CA VAL A 61 1.199 6.676 -11.116 1.00 0.00 C ATOM 957 C VAL A 61 0.678 8.017 -10.605 1.00 0.00 C ATOM 958 O VAL A 61 1.362 8.716 -9.856 1.00 0.00 O ATOM 959 CB VAL A 61 1.708 6.853 -12.556 1.00 0.00 C ATOM 960 CG1 VAL A 61 2.886 7.807 -12.589 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.086 5.507 -13.159 1.00 0.00 C ATOM 0 H VAL A 61 0.007 5.165 -11.937 1.00 0.00 H new ATOM 0 HA VAL A 61 2.018 6.348 -10.477 1.00 0.00 H new ATOM 0 HB VAL A 61 0.905 7.281 -13.156 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.234 7.921 -13.616 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.579 8.778 -12.200 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.694 7.409 -11.975 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.444 5.653 -14.178 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.873 5.048 -12.560 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.212 4.855 -13.171 1.00 0.00 H new ATOM 971 N ASN A 62 -0.534 8.371 -11.016 1.00 0.00 N ATOM 972 CA ASN A 62 -1.145 9.629 -10.603 1.00 0.00 C ATOM 973 C ASN A 62 -1.802 9.509 -9.227 1.00 0.00 C ATOM 974 O ASN A 62 -2.411 10.461 -8.739 1.00 0.00 O ATOM 975 CB ASN A 62 -2.180 10.078 -11.639 1.00 0.00 C ATOM 976 CG ASN A 62 -1.876 11.451 -12.204 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.749 12.315 -12.272 1.00 0.00 O ATOM 978 ND2 ASN A 62 -0.629 11.659 -12.614 1.00 0.00 N ATOM 0 H ASN A 62 -1.113 7.804 -11.635 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.354 10.376 -10.534 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.214 9.353 -12.452 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.169 10.088 -11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.364 12.564 -13.004 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.063 10.914 -12.539 1.00 0.00 H new ATOM 985 N PHE A 63 -1.678 8.340 -8.601 1.00 0.00 N ATOM 986 CA PHE A 63 -2.265 8.117 -7.285 1.00 0.00 C ATOM 987 C PHE A 63 -1.285 8.489 -6.178 1.00 0.00 C ATOM 988 O PHE A 63 -1.662 9.119 -5.190 1.00 0.00 O ATOM 989 CB PHE A 63 -2.692 6.656 -7.129 1.00 0.00 C ATOM 990 CG PHE A 63 -3.636 6.431 -5.983 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.872 7.054 -5.958 1.00 0.00 C ATOM 992 CD2 PHE A 63 -3.286 5.599 -4.932 1.00 0.00 C ATOM 993 CE1 PHE A 63 -5.744 6.850 -4.905 1.00 0.00 C ATOM 994 CE2 PHE A 63 -4.154 5.393 -3.876 1.00 0.00 C ATOM 995 CZ PHE A 63 -5.385 6.019 -3.863 1.00 0.00 C ATOM 0 H PHE A 63 -1.178 7.537 -8.983 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.143 8.757 -7.200 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.167 6.323 -8.052 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.805 6.039 -6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.158 7.706 -6.770 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.325 5.106 -4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.706 7.341 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.870 4.743 -3.062 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.065 5.859 -3.039 1.00 0.00 H new ATOM 1005 N ILE A 64 -0.025 8.092 -6.348 1.00 0.00 N ATOM 1006 CA ILE A 64 1.014 8.379 -5.361 1.00 0.00 C ATOM 1007 C ILE A 64 0.954 9.829 -4.885 1.00 0.00 C ATOM 1008 O ILE A 64 1.332 10.136 -3.754 1.00 0.00 O ATOM 1009 CB ILE A 64 2.421 8.097 -5.928 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.474 6.698 -6.548 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.472 8.242 -4.837 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.625 6.709 -8.052 1.00 0.00 C ATOM 0 H ILE A 64 0.301 7.570 -7.161 1.00 0.00 H new ATOM 0 HA ILE A 64 0.827 7.719 -4.514 1.00 0.00 H new ATOM 0 HB ILE A 64 2.635 8.827 -6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.307 6.147 -6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.564 6.159 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.459 8.040 -5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.447 9.257 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.264 7.533 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.655 5.684 -8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.779 7.231 -8.499 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.550 7.220 -8.321 1.00 0.00 H new ATOM 1024 N ASP A 65 0.475 10.715 -5.752 1.00 0.00 N ATOM 1025 CA ASP A 65 0.367 12.129 -5.413 1.00 0.00 C ATOM 1026 C ASP A 65 -0.730 12.360 -4.382 1.00 0.00 C ATOM 1027 O ASP A 65 -0.480 12.923 -3.316 1.00 0.00 O ATOM 1028 CB ASP A 65 0.093 12.960 -6.667 1.00 0.00 C ATOM 1029 CG ASP A 65 0.237 14.449 -6.417 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -0.196 14.914 -5.342 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.782 15.148 -7.295 1.00 0.00 O ATOM 0 H ASP A 65 0.156 10.480 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 65 1.316 12.445 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.781 12.659 -7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.915 12.750 -7.025 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.947 11.923 -4.698 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.077 12.084 -3.789 1.00 0.00 C ATOM 1038 C PHE A 66 -2.703 11.624 -2.382 1.00 0.00 C ATOM 1039 O PHE A 66 -3.109 12.231 -1.391 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.289 11.298 -4.311 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.245 10.853 -3.238 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.068 9.635 -2.602 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.313 11.651 -2.866 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -5.940 9.221 -1.615 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.190 11.242 -1.878 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.003 10.025 -1.251 1.00 0.00 C ATOM 0 H PHE A 66 -2.175 11.455 -5.575 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.341 13.141 -3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.828 11.917 -5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.933 10.421 -4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.239 9.002 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.463 12.603 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.791 8.269 -1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.020 11.873 -1.597 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.686 9.703 -0.479 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.916 10.555 -2.304 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.480 10.027 -1.019 1.00 0.00 C ATOM 1058 C ILE A 67 -0.672 11.081 -0.266 1.00 0.00 C ATOM 1059 O ILE A 67 -0.900 11.323 0.917 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.644 8.733 -1.196 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.569 7.516 -1.278 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.354 8.558 -0.056 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -2.245 7.351 -2.622 1.00 0.00 C ATOM 0 H ILE A 67 -1.569 10.040 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.367 9.775 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.081 8.820 -2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.992 6.618 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.333 7.600 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.925 7.642 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.034 9.410 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.182 8.497 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.883 6.468 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.851 8.232 -2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.488 7.234 -3.398 1.00 0.00 H new ATOM 1075 N LYS A 68 0.262 11.719 -0.965 1.00 0.00 N ATOM 1076 CA LYS A 68 1.084 12.757 -0.358 1.00 0.00 C ATOM 1077 C LYS A 68 0.298 14.061 -0.237 1.00 0.00 C ATOM 1078 O LYS A 68 0.628 14.925 0.575 1.00 0.00 O ATOM 1079 CB LYS A 68 2.352 12.985 -1.182 1.00 0.00 C ATOM 1080 CG LYS A 68 3.276 11.779 -1.224 1.00 0.00 C ATOM 1081 CD LYS A 68 4.509 11.988 -0.360 1.00 0.00 C ATOM 1082 CE LYS A 68 5.511 12.913 -1.032 1.00 0.00 C ATOM 1083 NZ LYS A 68 6.074 13.909 -0.080 1.00 0.00 N ATOM 0 H LYS A 68 0.467 11.536 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 68 1.369 12.426 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.070 13.252 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.896 13.835 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.737 10.895 -0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.580 11.589 -2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.214 12.407 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.980 11.026 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.321 12.322 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.027 13.434 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.753 14.520 -0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.305 14.491 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.559 13.413 0.695 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.749 14.191 -1.049 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.590 15.381 -1.035 1.00 0.00 C ATOM 1099 C GLU A 69 -2.336 15.503 0.288 1.00 0.00 C ATOM 1100 O GLU A 69 -2.321 16.554 0.928 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.588 15.335 -2.193 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.426 16.597 -2.326 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.728 16.357 -3.063 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.174 15.191 -3.118 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.302 17.335 -3.588 1.00 0.00 O ATOM 0 H GLU A 69 -1.034 13.483 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.947 16.253 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.045 15.170 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.252 14.481 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.642 16.991 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.850 17.358 -2.853 1.00 0.00 H new ATOM 1112 N ASN A 70 -2.994 14.419 0.687 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.757 14.402 1.931 1.00 0.00 C ATOM 1114 C ASN A 70 -3.111 13.485 2.968 1.00 0.00 C ATOM 1115 O ASN A 70 -3.722 13.165 3.989 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.195 13.955 1.658 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.767 14.591 0.405 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.606 15.489 0.478 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.313 14.126 -0.754 1.00 0.00 N ATOM 0 H ASN A 70 -3.014 13.541 0.168 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.764 15.414 2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.223 12.870 1.557 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.822 14.212 2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.660 14.515 -1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.617 13.380 -0.767 1.00 0.00 H new ATOM 1126 N SER A 71 -1.875 13.067 2.709 1.00 0.00 N ATOM 1127 CA SER A 71 -1.155 12.193 3.627 1.00 0.00 C ATOM 1128 C SER A 71 0.353 12.288 3.396 1.00 0.00 C ATOM 1129 O SER A 71 0.986 11.326 2.959 1.00 0.00 O ATOM 1130 CB SER A 71 -1.627 10.745 3.463 1.00 0.00 C ATOM 1131 OG SER A 71 -2.407 10.335 4.574 1.00 0.00 O ATOM 0 H SER A 71 -1.352 13.320 1.871 1.00 0.00 H new ATOM 0 HA SER A 71 -1.367 12.518 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.213 10.651 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.764 10.087 3.358 1.00 0.00 H new ATOM 0 HG SER A 71 -2.110 10.812 5.377 1.00 0.00 H new ATOM 1137 N PRO A 72 0.950 13.456 3.686 1.00 0.00 N ATOM 1138 CA PRO A 72 2.386 13.676 3.509 1.00 0.00 C ATOM 1139 C PRO A 72 3.214 12.945 4.558 1.00 0.00 C ATOM 1140 O PRO A 72 4.419 12.754 4.395 1.00 0.00 O ATOM 1141 CB PRO A 72 2.555 15.197 3.659 1.00 0.00 C ATOM 1142 CG PRO A 72 1.170 15.759 3.719 1.00 0.00 C ATOM 1143 CD PRO A 72 0.283 14.652 4.208 1.00 0.00 C ATOM 0 HA PRO A 72 2.733 13.296 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.115 15.441 4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.109 15.613 2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.128 16.616 4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.850 16.108 2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.216 14.637 5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.734 14.748 3.827 1.00 0.00 H new ATOM 1151 N ASP A 73 2.553 12.540 5.629 1.00 0.00 N ATOM 1152 CA ASP A 73 3.212 11.827 6.716 1.00 0.00 C ATOM 1153 C ASP A 73 2.911 10.333 6.649 1.00 0.00 C ATOM 1154 O ASP A 73 2.898 9.645 7.670 1.00 0.00 O ATOM 1155 CB ASP A 73 2.768 12.387 8.064 1.00 0.00 C ATOM 1156 CG ASP A 73 3.729 12.034 9.183 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.762 12.722 9.316 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.447 11.070 9.925 1.00 0.00 O ATOM 0 H ASP A 73 1.555 12.693 5.772 1.00 0.00 H new ATOM 0 HA ASP A 73 4.288 11.968 6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.681 13.471 7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.777 12.002 8.305 1.00 0.00 H new ATOM 1163 N SER A 74 2.665 9.837 5.440 1.00 0.00 N ATOM 1164 CA SER A 74 2.360 8.425 5.239 1.00 0.00 C ATOM 1165 C SER A 74 3.486 7.727 4.480 1.00 0.00 C ATOM 1166 O SER A 74 4.500 8.343 4.150 1.00 0.00 O ATOM 1167 CB SER A 74 1.042 8.273 4.476 1.00 0.00 C ATOM 1168 OG SER A 74 0.767 6.912 4.194 1.00 0.00 O ATOM 0 H SER A 74 2.671 10.393 4.585 1.00 0.00 H new ATOM 0 HA SER A 74 2.263 7.955 6.218 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.228 8.697 5.064 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.091 8.837 3.545 1.00 0.00 H new ATOM 0 HG SER A 74 -0.042 6.635 4.674 1.00 0.00 H new ATOM 1174 N VAL A 75 3.298 6.442 4.204 1.00 0.00 N ATOM 1175 CA VAL A 75 4.292 5.660 3.481 1.00 0.00 C ATOM 1176 C VAL A 75 3.714 5.115 2.180 1.00 0.00 C ATOM 1177 O VAL A 75 2.497 5.077 1.995 1.00 0.00 O ATOM 1178 CB VAL A 75 4.822 4.487 4.333 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.025 3.836 3.663 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.178 4.965 5.733 1.00 0.00 C ATOM 0 H VAL A 75 2.464 5.919 4.471 1.00 0.00 H new ATOM 0 HA VAL A 75 5.121 6.331 3.256 1.00 0.00 H new ATOM 0 HB VAL A 75 4.034 3.738 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.383 3.012 4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.735 3.457 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.819 4.573 3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.550 4.126 6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.948 5.734 5.670 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.291 5.379 6.213 1.00 0.00 H new ATOM 1190 N VAL A 76 4.596 4.696 1.284 1.00 0.00 N ATOM 1191 CA VAL A 76 4.177 4.152 -0.001 1.00 0.00 C ATOM 1192 C VAL A 76 5.000 2.924 -0.371 1.00 0.00 C ATOM 1193 O VAL A 76 5.979 3.019 -1.111 1.00 0.00 O ATOM 1194 CB VAL A 76 4.295 5.199 -1.128 1.00 0.00 C ATOM 1195 CG1 VAL A 76 3.307 4.895 -2.242 1.00 0.00 C ATOM 1196 CG2 VAL A 76 4.078 6.605 -0.586 1.00 0.00 C ATOM 0 H VAL A 76 5.606 4.722 1.423 1.00 0.00 H new ATOM 0 HA VAL A 76 3.130 3.867 0.105 1.00 0.00 H new ATOM 0 HB VAL A 76 5.304 5.147 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.404 5.643 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.515 3.907 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.292 4.916 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.166 7.326 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.084 6.675 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.829 6.822 0.174 1.00 0.00 H new ATOM 1206 N ILE A 77 4.593 1.771 0.149 1.00 0.00 N ATOM 1207 CA ILE A 77 5.291 0.522 -0.123 1.00 0.00 C ATOM 1208 C ILE A 77 4.692 -0.188 -1.333 1.00 0.00 C ATOM 1209 O ILE A 77 4.400 -1.384 -1.284 1.00 0.00 O ATOM 1210 CB ILE A 77 5.241 -0.427 1.092 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.584 0.332 2.378 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.193 -1.596 0.891 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.014 0.824 2.428 1.00 0.00 C ATOM 0 H ILE A 77 3.783 1.677 0.761 1.00 0.00 H new ATOM 0 HA ILE A 77 6.330 0.778 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 77 4.228 -0.820 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.912 1.184 2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.402 -0.319 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.146 -2.256 1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.906 -2.149 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.210 -1.221 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.185 1.352 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.694 -0.026 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.195 1.501 1.593 1.00 0.00 H new ATOM 1225 N VAL A 78 4.511 0.554 -2.422 1.00 0.00 N ATOM 1226 CA VAL A 78 3.948 -0.010 -3.645 1.00 0.00 C ATOM 1227 C VAL A 78 4.785 -1.189 -4.134 1.00 0.00 C ATOM 1228 O VAL A 78 6.015 -1.133 -4.133 1.00 0.00 O ATOM 1229 CB VAL A 78 3.854 1.047 -4.764 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.137 0.478 -5.977 1.00 0.00 C ATOM 1231 CG2 VAL A 78 3.149 2.298 -4.261 1.00 0.00 C ATOM 0 H VAL A 78 4.745 1.545 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 78 2.942 -0.355 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 78 4.866 1.322 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.080 1.238 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.686 -0.386 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.130 0.173 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.093 3.032 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.142 2.041 -3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.707 2.719 -3.424 1.00 0.00 H new ATOM 1241 N ILE A 79 4.111 -2.260 -4.541 1.00 0.00 N ATOM 1242 CA ILE A 79 4.794 -3.458 -5.022 1.00 0.00 C ATOM 1243 C ILE A 79 4.131 -3.971 -6.306 1.00 0.00 C ATOM 1244 O ILE A 79 3.596 -3.181 -7.084 1.00 0.00 O ATOM 1245 CB ILE A 79 4.794 -4.570 -3.943 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.777 -3.963 -2.538 1.00 0.00 C ATOM 1247 CG2 ILE A 79 6.011 -5.472 -4.110 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.524 -4.976 -1.443 1.00 0.00 C ATOM 0 H ILE A 79 3.093 -2.324 -4.548 1.00 0.00 H new ATOM 0 HA ILE A 79 5.828 -3.191 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 79 3.892 -5.168 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.732 -3.471 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.007 -3.193 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.997 -6.248 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.988 -5.935 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.920 -4.879 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.526 -4.474 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.556 -5.451 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.307 -5.734 -1.460 1.00 0.00 H new ATOM 1260 N THR A 80 4.159 -5.287 -6.530 1.00 0.00 N ATOM 1261 CA THR A 80 3.551 -5.872 -7.722 1.00 0.00 C ATOM 1262 C THR A 80 4.153 -5.276 -8.992 1.00 0.00 C ATOM 1263 O THR A 80 5.126 -4.522 -8.935 1.00 0.00 O ATOM 1264 CB THR A 80 2.034 -5.656 -7.710 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.631 -4.987 -6.530 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.244 -6.943 -7.786 1.00 0.00 C ATOM 0 H THR A 80 4.595 -5.963 -5.903 1.00 0.00 H new ATOM 0 HA THR A 80 3.757 -6.942 -7.713 1.00 0.00 H new ATOM 0 HB THR A 80 1.825 -5.061 -8.599 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.835 -5.546 -5.751 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.178 -6.717 -7.773 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.492 -7.468 -8.708 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.492 -7.573 -6.932 1.00 0.00 H new ATOM 1317 N VAL A 85 11.435 -3.324 -14.773 1.00 0.00 N ATOM 1318 CA VAL A 85 11.254 -2.422 -13.642 1.00 0.00 C ATOM 1319 C VAL A 85 11.045 -0.985 -14.112 1.00 0.00 C ATOM 1320 O VAL A 85 11.852 -0.101 -13.823 1.00 0.00 O ATOM 1321 CB VAL A 85 12.461 -2.471 -12.685 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.164 -1.698 -11.410 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.836 -3.911 -12.370 1.00 0.00 C ATOM 0 HA VAL A 85 10.365 -2.758 -13.108 1.00 0.00 H new ATOM 0 HB VAL A 85 13.311 -1.999 -13.178 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.028 -1.744 -10.747 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.951 -0.658 -11.656 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.300 -2.137 -10.911 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.690 -3.925 -11.693 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.991 -4.412 -11.898 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.096 -4.429 -13.293 1.00 0.00 H new ATOM 1333 N ASP A 86 9.955 -0.759 -14.837 1.00 0.00 N ATOM 1334 CA ASP A 86 9.639 0.571 -15.347 1.00 0.00 C ATOM 1335 C ASP A 86 8.435 1.161 -14.619 1.00 0.00 C ATOM 1336 O ASP A 86 8.304 2.380 -14.511 1.00 0.00 O ATOM 1337 CB ASP A 86 9.366 0.514 -16.850 1.00 0.00 C ATOM 1338 CG ASP A 86 8.259 -0.462 -17.199 1.00 0.00 C ATOM 1339 OD1 ASP A 86 8.505 -1.686 -17.139 1.00 0.00 O ATOM 1340 OD2 ASP A 86 7.146 -0.004 -17.534 1.00 0.00 O ATOM 0 H ASP A 86 9.276 -1.478 -15.085 1.00 0.00 H new ATOM 0 HA ASP A 86 10.500 1.215 -15.168 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.096 1.508 -17.206 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.279 0.226 -17.372 1.00 0.00 H new ATOM 1345 N THR A 87 7.567 0.295 -14.103 1.00 0.00 N ATOM 1346 CA THR A 87 6.396 0.754 -13.368 1.00 0.00 C ATOM 1347 C THR A 87 6.826 1.253 -11.996 1.00 0.00 C ATOM 1348 O THR A 87 6.243 2.187 -11.444 1.00 0.00 O ATOM 1349 CB THR A 87 5.352 -0.367 -13.238 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.044 0.175 -13.189 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.526 -1.236 -12.006 1.00 0.00 C ATOM 0 H THR A 87 7.652 -0.719 -14.180 1.00 0.00 H new ATOM 0 HA THR A 87 5.931 1.572 -13.918 1.00 0.00 H new ATOM 0 HB THR A 87 5.502 -0.991 -14.119 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.392 -0.552 -13.108 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.751 -2.002 -11.989 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.506 -1.712 -12.032 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.446 -0.619 -11.111 1.00 0.00 H new ATOM 1359 N ALA A 88 7.872 0.628 -11.464 1.00 0.00 N ATOM 1360 CA ALA A 88 8.415 1.005 -10.171 1.00 0.00 C ATOM 1361 C ALA A 88 8.871 2.453 -10.197 1.00 0.00 C ATOM 1362 O ALA A 88 8.390 3.287 -9.431 1.00 0.00 O ATOM 1363 CB ALA A 88 9.579 0.095 -9.811 1.00 0.00 C ATOM 0 H ALA A 88 8.360 -0.146 -11.915 1.00 0.00 H new ATOM 0 HA ALA A 88 7.636 0.897 -9.416 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.980 0.385 -8.840 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.233 -0.938 -9.767 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.359 0.185 -10.567 1.00 0.00 H new ATOM 1369 N VAL A 89 9.801 2.742 -11.097 1.00 0.00 N ATOM 1370 CA VAL A 89 10.328 4.087 -11.246 1.00 0.00 C ATOM 1371 C VAL A 89 9.216 5.076 -11.588 1.00 0.00 C ATOM 1372 O VAL A 89 9.338 6.275 -11.335 1.00 0.00 O ATOM 1373 CB VAL A 89 11.419 4.141 -12.334 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.540 3.168 -12.004 1.00 0.00 C ATOM 1375 CG2 VAL A 89 10.833 3.838 -13.707 1.00 0.00 C ATOM 0 H VAL A 89 10.206 2.058 -11.736 1.00 0.00 H new ATOM 0 HA VAL A 89 10.771 4.368 -10.291 1.00 0.00 H new ATOM 0 HB VAL A 89 11.829 5.151 -12.359 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.304 3.216 -12.780 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.981 3.434 -11.044 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.139 2.156 -11.951 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.622 3.882 -14.457 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.392 2.841 -13.702 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.065 4.574 -13.945 1.00 0.00 H new ATOM 1385 N LYS A 90 8.127 4.563 -12.157 1.00 0.00 N ATOM 1386 CA LYS A 90 6.989 5.397 -12.523 1.00 0.00 C ATOM 1387 C LYS A 90 5.990 5.472 -11.372 1.00 0.00 C ATOM 1388 O LYS A 90 4.779 5.418 -11.580 1.00 0.00 O ATOM 1389 CB LYS A 90 6.309 4.841 -13.774 1.00 0.00 C ATOM 1390 CG LYS A 90 5.321 5.802 -14.414 1.00 0.00 C ATOM 1391 CD LYS A 90 4.592 5.153 -15.580 1.00 0.00 C ATOM 1392 CE LYS A 90 5.457 5.120 -16.830 1.00 0.00 C ATOM 1393 NZ LYS A 90 4.718 5.604 -18.029 1.00 0.00 N ATOM 0 H LYS A 90 8.011 3.573 -12.374 1.00 0.00 H new ATOM 0 HA LYS A 90 7.351 6.403 -12.735 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.073 4.580 -14.506 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.788 3.919 -13.514 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.597 6.132 -13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.848 6.690 -14.762 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.303 4.137 -15.310 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.673 5.702 -15.787 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.342 5.737 -16.675 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.805 4.102 -17.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.342 5.566 -18.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.887 5.000 -18.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.408 6.584 -17.873 1.00 0.00 H new ATOM 1407 N ALA A 91 6.512 5.588 -10.156 1.00 0.00 N ATOM 1408 CA ALA A 91 5.677 5.665 -8.966 1.00 0.00 C ATOM 1409 C ALA A 91 6.508 6.037 -7.742 1.00 0.00 C ATOM 1410 O ALA A 91 6.062 6.801 -6.886 1.00 0.00 O ATOM 1411 CB ALA A 91 4.965 4.339 -8.738 1.00 0.00 C ATOM 0 H ALA A 91 7.514 5.631 -9.970 1.00 0.00 H new ATOM 0 HA ALA A 91 4.931 6.445 -9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.343 4.409 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.338 4.110 -9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.703 3.548 -8.606 1.00 0.00 H new ATOM 1417 N ILE A 92 7.719 5.490 -7.663 1.00 0.00 N ATOM 1418 CA ILE A 92 8.609 5.765 -6.543 1.00 0.00 C ATOM 1419 C ILE A 92 9.238 7.150 -6.673 1.00 0.00 C ATOM 1420 O ILE A 92 9.566 7.791 -5.674 1.00 0.00 O ATOM 1421 CB ILE A 92 9.720 4.694 -6.417 1.00 0.00 C ATOM 1422 CG1 ILE A 92 10.821 4.913 -7.461 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.127 3.298 -6.560 1.00 0.00 C ATOM 1424 CD1 ILE A 92 11.923 3.875 -7.404 1.00 0.00 C ATOM 0 H ILE A 92 8.104 4.855 -8.362 1.00 0.00 H new ATOM 0 HA ILE A 92 8.002 5.734 -5.638 1.00 0.00 H new ATOM 0 HB ILE A 92 10.169 4.788 -5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.375 4.903 -8.455 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.256 5.902 -7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.919 2.555 -6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.386 3.136 -5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.651 3.203 -7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.667 4.092 -8.170 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.395 3.899 -6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.500 2.886 -7.579 1.00 0.00 H new ATOM 1436 N LYS A 93 9.397 7.607 -7.911 1.00 0.00 N ATOM 1437 CA LYS A 93 9.979 8.916 -8.173 1.00 0.00 C ATOM 1438 C LYS A 93 9.029 10.024 -7.730 1.00 0.00 C ATOM 1439 O LYS A 93 9.462 11.101 -7.318 1.00 0.00 O ATOM 1440 CB LYS A 93 10.303 9.064 -9.662 1.00 0.00 C ATOM 1441 CG LYS A 93 11.738 9.487 -9.934 1.00 0.00 C ATOM 1442 CD LYS A 93 12.661 8.284 -10.037 1.00 0.00 C ATOM 1443 CE LYS A 93 14.044 8.594 -9.487 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.032 8.738 -8.005 1.00 0.00 N ATOM 0 H LYS A 93 9.130 7.089 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 93 10.903 9.002 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.112 8.115 -10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.627 9.798 -10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.781 10.060 -10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.083 10.145 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.230 7.446 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.744 7.976 -11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.734 7.798 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.417 9.514 -9.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.996 8.610 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.687 9.686 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.405 8.019 -7.591 1.00 0.00 H new ATOM 1458 N LYS A 94 7.730 9.751 -7.818 1.00 0.00 N ATOM 1459 CA LYS A 94 6.717 10.722 -7.424 1.00 0.00 C ATOM 1460 C LYS A 94 6.809 11.029 -5.934 1.00 0.00 C ATOM 1461 O LYS A 94 6.490 12.134 -5.496 1.00 0.00 O ATOM 1462 CB LYS A 94 5.323 10.203 -7.766 1.00 0.00 C ATOM 1463 CG LYS A 94 4.300 11.305 -7.989 1.00 0.00 C ATOM 1464 CD LYS A 94 4.125 11.611 -9.467 1.00 0.00 C ATOM 1465 CE LYS A 94 2.892 12.465 -9.717 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.732 11.647 -10.166 1.00 0.00 N ATOM 0 H LYS A 94 7.356 8.865 -8.159 1.00 0.00 H new ATOM 0 HA LYS A 94 6.898 11.644 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.384 9.588 -8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.978 9.556 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.343 11.006 -7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.615 12.207 -7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.009 12.129 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.042 10.679 -10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.628 12.998 -8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.119 13.218 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.864 11.998 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.636 11.718 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.884 10.653 -9.900 1.00 0.00 H new ATOM 1480 N GLY A 95 7.251 10.043 -5.158 1.00 0.00 N ATOM 1481 CA GLY A 95 7.381 10.232 -3.724 1.00 0.00 C ATOM 1482 C GLY A 95 7.033 8.990 -2.921 1.00 0.00 C ATOM 1483 O GLY A 95 6.597 9.092 -1.775 1.00 0.00 O ATOM 0 H GLY A 95 7.521 9.119 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.404 10.530 -3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.733 11.051 -3.412 1.00 0.00 H new ATOM 1487 N ALA A 96 7.227 7.815 -3.515 1.00 0.00 N ATOM 1488 CA ALA A 96 6.934 6.561 -2.830 1.00 0.00 C ATOM 1489 C ALA A 96 8.159 6.058 -2.073 1.00 0.00 C ATOM 1490 O ALA A 96 9.219 6.683 -2.108 1.00 0.00 O ATOM 1491 CB ALA A 96 6.451 5.510 -3.823 1.00 0.00 C ATOM 0 H ALA A 96 7.584 7.706 -4.464 1.00 0.00 H new ATOM 0 HA ALA A 96 6.139 6.745 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.237 4.581 -3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.545 5.864 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.225 5.333 -4.570 1.00 0.00 H new ATOM 1497 N TYR A 97 8.009 4.930 -1.387 1.00 0.00 N ATOM 1498 CA TYR A 97 9.108 4.353 -0.623 1.00 0.00 C ATOM 1499 C TYR A 97 9.814 3.254 -1.409 1.00 0.00 C ATOM 1500 O TYR A 97 10.383 2.333 -0.829 1.00 0.00 O ATOM 1501 CB TYR A 97 8.589 3.800 0.701 1.00 0.00 C ATOM 1502 CG TYR A 97 9.682 3.444 1.685 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.341 4.430 2.407 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.052 2.121 1.892 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.339 4.109 3.307 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.048 1.791 2.791 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.688 2.788 3.496 1.00 0.00 C ATOM 1508 OH TYR A 97 12.681 2.464 4.392 1.00 0.00 O ATOM 0 H TYR A 97 7.139 4.399 -1.345 1.00 0.00 H new ATOM 0 HA TYR A 97 9.833 5.143 -0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.928 4.537 1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.988 2.912 0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.069 5.465 2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.553 1.338 1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.843 4.888 3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.324 0.758 2.941 1.00 0.00 H new ATOM 0 HH TYR A 97 12.804 1.492 4.407 1.00 0.00 H new ATOM 1518 N GLU A 98 9.772 3.375 -2.734 1.00 0.00 N ATOM 1519 CA GLU A 98 10.405 2.415 -3.647 1.00 0.00 C ATOM 1520 C GLU A 98 9.492 1.227 -3.932 1.00 0.00 C ATOM 1521 O GLU A 98 8.527 0.977 -3.207 1.00 0.00 O ATOM 1522 CB GLU A 98 11.762 1.933 -3.103 1.00 0.00 C ATOM 1523 CG GLU A 98 11.711 0.611 -2.341 1.00 0.00 C ATOM 1524 CD GLU A 98 12.716 0.552 -1.206 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.882 0.188 -1.466 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.337 0.872 -0.060 1.00 0.00 O ATOM 0 H GLU A 98 9.298 4.142 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 98 10.582 2.938 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.456 1.829 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.167 2.701 -2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.708 0.465 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.901 -0.210 -3.032 1.00 0.00 H new ATOM 1533 N PHE A 99 9.810 0.500 -4.997 1.00 0.00 N ATOM 1534 CA PHE A 99 9.034 -0.665 -5.397 1.00 0.00 C ATOM 1535 C PHE A 99 9.626 -1.938 -4.802 1.00 0.00 C ATOM 1536 O PHE A 99 10.571 -2.508 -5.345 1.00 0.00 O ATOM 1537 CB PHE A 99 8.996 -0.770 -6.922 1.00 0.00 C ATOM 1538 CG PHE A 99 7.613 -0.690 -7.503 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.791 0.389 -7.223 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.140 -1.690 -8.338 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.522 0.468 -7.764 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.872 -1.617 -8.880 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.062 -0.536 -8.593 1.00 0.00 C ATOM 0 H PHE A 99 10.606 0.700 -5.602 1.00 0.00 H new ATOM 0 HA PHE A 99 8.018 -0.548 -5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.605 0.028 -7.347 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.452 -1.713 -7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.146 1.177 -6.575 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.771 -2.536 -8.567 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.890 1.314 -7.539 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.514 -2.404 -9.527 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.070 -0.476 -9.016 1.00 0.00 H new ATOM 1553 N LEU A 100 9.064 -2.376 -3.683 1.00 0.00 N ATOM 1554 CA LEU A 100 9.529 -3.576 -3.008 1.00 0.00 C ATOM 1555 C LEU A 100 9.510 -4.780 -3.947 1.00 0.00 C ATOM 1556 O LEU A 100 8.826 -4.771 -4.970 1.00 0.00 O ATOM 1557 CB LEU A 100 8.644 -3.846 -1.797 1.00 0.00 C ATOM 1558 CG LEU A 100 9.225 -4.797 -0.758 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.519 -4.244 -0.184 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.211 -5.029 0.342 1.00 0.00 C ATOM 0 H LEU A 100 8.280 -1.913 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 100 10.559 -3.418 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.424 -2.896 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.695 -4.253 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 100 9.452 -5.748 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.916 -4.940 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.246 -4.113 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.325 -3.282 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.629 -5.709 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.966 -4.079 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.307 -5.466 -0.083 1.00 0.00 H new ATOM 1572 N GLU A 101 10.264 -5.814 -3.590 1.00 0.00 N ATOM 1573 CA GLU A 101 10.331 -7.028 -4.398 1.00 0.00 C ATOM 1574 C GLU A 101 9.451 -8.119 -3.799 1.00 0.00 C ATOM 1575 O GLU A 101 8.809 -8.878 -4.526 1.00 0.00 O ATOM 1576 CB GLU A 101 11.776 -7.519 -4.503 1.00 0.00 C ATOM 1577 CG GLU A 101 12.646 -6.663 -5.411 1.00 0.00 C ATOM 1578 CD GLU A 101 13.578 -5.754 -4.635 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.204 -5.329 -3.522 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.684 -5.467 -5.140 1.00 0.00 O ATOM 0 H GLU A 101 10.838 -5.837 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 101 9.965 -6.794 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.217 -7.541 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.777 -8.544 -4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.234 -7.311 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.008 -6.059 -6.056 1.00 0.00 H new ATOM 1654 N VAL A 106 4.850 -11.169 0.231 1.00 0.00 N ATOM 1655 CA VAL A 106 4.971 -9.940 1.023 1.00 0.00 C ATOM 1656 C VAL A 106 5.739 -10.153 2.333 1.00 0.00 C ATOM 1657 O VAL A 106 5.556 -9.407 3.297 1.00 0.00 O ATOM 1658 CB VAL A 106 3.587 -9.314 1.323 1.00 0.00 C ATOM 1659 CG1 VAL A 106 2.719 -9.313 0.074 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.878 -10.032 2.462 1.00 0.00 C ATOM 0 HA VAL A 106 5.546 -9.248 0.408 1.00 0.00 H new ATOM 0 HB VAL A 106 3.755 -8.284 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.750 -8.869 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.208 -8.732 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.576 -10.337 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.911 -9.563 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.730 -11.079 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.485 -9.970 3.365 1.00 0.00 H new ATOM 1670 N GLU A 107 6.608 -11.160 2.363 1.00 0.00 N ATOM 1671 CA GLU A 107 7.397 -11.437 3.554 1.00 0.00 C ATOM 1672 C GLU A 107 8.349 -10.280 3.824 1.00 0.00 C ATOM 1673 O GLU A 107 8.376 -9.728 4.924 1.00 0.00 O ATOM 1674 CB GLU A 107 8.178 -12.736 3.390 1.00 0.00 C ATOM 1675 CG GLU A 107 8.443 -13.455 4.703 1.00 0.00 C ATOM 1676 CD GLU A 107 9.851 -14.013 4.789 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.769 -13.401 4.204 1.00 0.00 O ATOM 1678 OE2 GLU A 107 10.034 -15.061 5.443 1.00 0.00 O ATOM 0 H GLU A 107 6.781 -11.792 1.581 1.00 0.00 H new ATOM 0 HA GLU A 107 6.722 -11.548 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.626 -13.401 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.130 -12.519 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.279 -12.765 5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.726 -14.268 4.819 1.00 0.00 H new ATOM 1685 N ARG A 108 9.111 -9.900 2.801 1.00 0.00 N ATOM 1686 CA ARG A 108 10.041 -8.787 2.921 1.00 0.00 C ATOM 1687 C ARG A 108 9.272 -7.517 3.263 1.00 0.00 C ATOM 1688 O ARG A 108 9.754 -6.661 4.005 1.00 0.00 O ATOM 1689 CB ARG A 108 10.825 -8.597 1.620 1.00 0.00 C ATOM 1690 CG ARG A 108 12.209 -9.224 1.646 1.00 0.00 C ATOM 1691 CD ARG A 108 12.136 -10.740 1.564 1.00 0.00 C ATOM 1692 NE ARG A 108 13.460 -11.346 1.444 1.00 0.00 N ATOM 1693 CZ ARG A 108 13.712 -12.628 1.694 1.00 0.00 C ATOM 1694 NH1 ARG A 108 12.736 -13.442 2.076 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.945 -13.098 1.563 1.00 0.00 N ATOM 0 H ARG A 108 9.101 -10.346 1.884 1.00 0.00 H new ATOM 0 HA ARG A 108 10.752 -9.004 3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.256 -9.028 0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.922 -7.531 1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.798 -8.842 0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.724 -8.933 2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.639 -11.128 2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.527 -11.028 0.707 1.00 0.00 H new ATOM 0 HE ARG A 108 14.236 -10.752 1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.786 -13.086 2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.936 -14.424 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.699 -12.477 1.271 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.139 -14.081 1.755 1.00 0.00 H new ATOM 1709 N PHE A 109 8.056 -7.423 2.730 1.00 0.00 N ATOM 1710 CA PHE A 109 7.188 -6.282 2.986 1.00 0.00 C ATOM 1711 C PHE A 109 6.925 -6.171 4.485 1.00 0.00 C ATOM 1712 O PHE A 109 6.793 -5.074 5.027 1.00 0.00 O ATOM 1713 CB PHE A 109 5.876 -6.446 2.204 1.00 0.00 C ATOM 1714 CG PHE A 109 4.719 -5.645 2.739 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.572 -4.310 2.404 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.777 -6.232 3.570 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.508 -3.573 2.887 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.711 -5.499 4.057 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.576 -4.168 3.715 1.00 0.00 C ATOM 0 H PHE A 109 7.650 -8.129 2.115 1.00 0.00 H new ATOM 0 HA PHE A 109 7.671 -5.364 2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.049 -6.160 1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.600 -7.500 2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.298 -3.839 1.757 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.877 -7.273 3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.405 -2.532 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.984 -5.967 4.704 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.744 -3.594 4.094 1.00 0.00 H new ATOM 1729 N LEU A 110 6.868 -7.323 5.145 1.00 0.00 N ATOM 1730 CA LEU A 110 6.643 -7.375 6.582 1.00 0.00 C ATOM 1731 C LEU A 110 7.796 -6.719 7.334 1.00 0.00 C ATOM 1732 O LEU A 110 7.585 -5.947 8.270 1.00 0.00 O ATOM 1733 CB LEU A 110 6.490 -8.820 7.033 1.00 0.00 C ATOM 1734 CG LEU A 110 5.355 -9.064 8.022 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.217 -10.548 8.303 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.592 -8.290 9.313 1.00 0.00 C ATOM 0 H LEU A 110 6.975 -8.236 4.704 1.00 0.00 H new ATOM 0 HA LEU A 110 5.727 -6.828 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.329 -9.445 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.426 -9.145 7.488 1.00 0.00 H new ATOM 0 HG LEU A 110 4.425 -8.707 7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.404 -10.710 9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.001 -11.076 7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.147 -10.926 8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.771 -8.477 10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.529 -8.614 9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.645 -7.224 9.093 1.00 0.00 H new ATOM 1748 N LEU A 111 9.018 -7.038 6.916 1.00 0.00 N ATOM 1749 CA LEU A 111 10.215 -6.490 7.544 1.00 0.00 C ATOM 1750 C LEU A 111 10.314 -4.983 7.323 1.00 0.00 C ATOM 1751 O LEU A 111 10.578 -4.228 8.258 1.00 0.00 O ATOM 1752 CB LEU A 111 11.464 -7.178 6.996 1.00 0.00 C ATOM 1753 CG LEU A 111 11.635 -8.640 7.419 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.160 -9.575 6.318 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.087 -8.926 7.773 1.00 0.00 C ATOM 0 H LEU A 111 9.205 -7.676 6.142 1.00 0.00 H new ATOM 0 HA LEU A 111 10.144 -6.675 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.438 -7.131 5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.341 -6.617 7.319 1.00 0.00 H new ATOM 0 HG LEU A 111 11.024 -8.815 8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.290 -10.609 6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.106 -9.388 6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.743 -9.399 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.190 -9.969 8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.718 -8.733 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.395 -8.281 8.596 1.00 0.00 H new ATOM 1767 N THR A 112 10.095 -4.552 6.085 1.00 0.00 N ATOM 1768 CA THR A 112 10.155 -3.133 5.753 1.00 0.00 C ATOM 1769 C THR A 112 9.005 -2.385 6.414 1.00 0.00 C ATOM 1770 O THR A 112 9.182 -1.284 6.937 1.00 0.00 O ATOM 1771 CB THR A 112 10.106 -2.938 4.237 1.00 0.00 C ATOM 1772 OG1 THR A 112 11.172 -3.626 3.608 1.00 0.00 O ATOM 1773 CG2 THR A 112 10.187 -1.486 3.817 1.00 0.00 C ATOM 0 H THR A 112 9.875 -5.162 5.298 1.00 0.00 H new ATOM 0 HA THR A 112 11.096 -2.731 6.128 1.00 0.00 H new ATOM 0 HB THR A 112 9.140 -3.336 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.122 -3.490 2.639 1.00 0.00 H new ATOM 0 HG21 THR A 112 10.147 -1.419 2.730 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.349 -0.936 4.246 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.123 -1.056 4.173 1.00 0.00 H new ATOM 1781 N ILE A 113 7.825 -2.997 6.391 1.00 0.00 N ATOM 1782 CA ILE A 113 6.635 -2.402 6.990 1.00 0.00 C ATOM 1783 C ILE A 113 6.930 -1.867 8.389 1.00 0.00 C ATOM 1784 O ILE A 113 6.650 -0.706 8.689 1.00 0.00 O ATOM 1785 CB ILE A 113 5.479 -3.427 7.057 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.633 -3.350 5.785 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.613 -3.210 8.291 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.851 -2.060 5.660 1.00 0.00 C ATOM 0 H ILE A 113 7.667 -3.909 5.962 1.00 0.00 H new ATOM 0 HA ILE A 113 6.333 -1.569 6.355 1.00 0.00 H new ATOM 0 HB ILE A 113 5.915 -4.423 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.284 -3.457 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.939 -4.190 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.810 -3.947 8.307 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.223 -3.319 9.188 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.185 -2.208 8.263 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.274 -2.073 4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.175 -1.961 6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.541 -1.216 5.645 1.00 0.00 H new ATOM 1800 N LYS A 114 7.498 -2.718 9.238 1.00 0.00 N ATOM 1801 CA LYS A 114 7.834 -2.328 10.602 1.00 0.00 C ATOM 1802 C LYS A 114 8.543 -0.982 10.601 1.00 0.00 C ATOM 1803 O LYS A 114 8.132 -0.050 11.294 1.00 0.00 O ATOM 1804 CB LYS A 114 8.718 -3.388 11.256 1.00 0.00 C ATOM 1805 CG LYS A 114 8.762 -3.295 12.773 1.00 0.00 C ATOM 1806 CD LYS A 114 9.761 -2.250 13.244 1.00 0.00 C ATOM 1807 CE LYS A 114 11.164 -2.550 12.743 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.201 -2.217 13.758 1.00 0.00 N ATOM 0 H LYS A 114 7.735 -3.682 9.005 1.00 0.00 H new ATOM 0 HA LYS A 114 6.912 -2.241 11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.356 -4.376 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.731 -3.295 10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.770 -3.047 13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.028 -4.266 13.190 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.451 -1.266 12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.763 -2.213 14.333 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.238 -3.606 12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.353 -1.982 11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.143 -2.437 13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.148 -1.204 13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.037 -2.777 14.619 1.00 0.00 H new ATOM 1822 N HIS A 115 9.603 -0.887 9.809 1.00 0.00 N ATOM 1823 CA HIS A 115 10.368 0.348 9.700 1.00 0.00 C ATOM 1824 C HIS A 115 9.465 1.502 9.272 1.00 0.00 C ATOM 1825 O HIS A 115 9.589 2.619 9.774 1.00 0.00 O ATOM 1826 CB HIS A 115 11.509 0.177 8.698 1.00 0.00 C ATOM 1827 CG HIS A 115 12.579 -0.760 9.164 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.470 -0.446 10.168 1.00 0.00 N ATOM 1829 CD2 HIS A 115 12.899 -2.012 8.759 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.292 -1.462 10.360 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.966 -2.425 9.518 1.00 0.00 N ATOM 0 H HIS A 115 9.953 -1.652 9.232 1.00 0.00 H new ATOM 0 HA HIS A 115 10.788 0.579 10.679 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.102 -0.189 7.755 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.953 1.152 8.496 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.407 -2.580 7.983 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.094 -1.499 11.083 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.431 -3.330 9.443 1.00 0.00 H new ATOM 1840 N ALA A 116 8.550 1.218 8.349 1.00 0.00 N ATOM 1841 CA ALA A 116 7.617 2.227 7.860 1.00 0.00 C ATOM 1842 C ALA A 116 6.860 2.872 9.016 1.00 0.00 C ATOM 1843 O ALA A 116 6.477 4.039 8.951 1.00 0.00 O ATOM 1844 CB ALA A 116 6.641 1.606 6.872 1.00 0.00 C ATOM 0 H ALA A 116 8.435 0.297 7.925 1.00 0.00 H new ATOM 0 HA ALA A 116 8.188 3.003 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.950 2.369 6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.192 1.191 6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.081 0.812 7.365 1.00 0.00 H new ATOM 1850 N PHE A 117 6.642 2.095 10.074 1.00 0.00 N ATOM 1851 CA PHE A 117 5.929 2.575 11.248 1.00 0.00 C ATOM 1852 C PHE A 117 6.886 3.165 12.280 1.00 0.00 C ATOM 1853 O PHE A 117 6.729 4.310 12.703 1.00 0.00 O ATOM 1854 CB PHE A 117 5.133 1.429 11.872 1.00 0.00 C ATOM 1855 CG PHE A 117 3.899 1.070 11.096 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.819 1.933 11.063 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.819 -0.128 10.401 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.680 1.613 10.354 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.681 -0.454 9.689 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.609 0.419 9.667 1.00 0.00 C ATOM 0 H PHE A 117 6.952 1.125 10.139 1.00 0.00 H new ATOM 0 HA PHE A 117 5.249 3.366 10.931 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.774 0.551 11.949 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.848 1.705 12.887 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.868 2.869 11.599 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.654 -0.812 10.417 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.844 2.297 10.337 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.629 -1.389 9.151 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.717 0.166 9.113 1.00 0.00 H new ATOM 1870 N GLU A 118 7.871 2.372 12.689 1.00 0.00 N ATOM 1871 CA GLU A 118 8.849 2.811 13.681 1.00 0.00 C ATOM 1872 C GLU A 118 9.685 3.979 13.167 1.00 0.00 C ATOM 1873 O GLU A 118 9.832 4.993 13.849 1.00 0.00 O ATOM 1874 CB GLU A 118 9.761 1.651 14.073 1.00 0.00 C ATOM 1875 CG GLU A 118 9.095 0.636 14.990 1.00 0.00 C ATOM 1876 CD GLU A 118 10.022 0.144 16.085 1.00 0.00 C ATOM 1877 OE1 GLU A 118 10.570 0.989 16.824 1.00 0.00 O ATOM 1878 OE2 GLU A 118 10.200 -1.086 16.203 1.00 0.00 O ATOM 0 H GLU A 118 8.014 1.421 12.349 1.00 0.00 H new ATOM 0 HA GLU A 118 8.299 3.152 14.558 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.100 1.144 13.169 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.648 2.048 14.567 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.211 1.085 15.442 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.754 -0.214 14.399 1.00 0.00 H new