USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 906 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 116 GLN : amide:sc= -0.19 X(o=-0.65,f=-0.56) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.463 X(o=-0.65,f=-0.56) USER MOD Set 2.1: A 90 THR OG1 : rot 180:sc= 0.685 USER MOD Set 2.2: A 92 THR OG1 : rot 26:sc= 0.123 USER MOD Set 2.3: A 96 GLN : amide:sc= -8.71! C(o=-7.9!,f=-10!) USER MOD Set 3.1: A 18 MET CE :methyl 179:sc= -5.99! (180deg=-6.09!) USER MOD Set 3.2: A 39 MET CE :methyl 168:sc= -1.94 (180deg=-2.61!) USER MOD Set 4.1: A 20 GLN : amide:sc= -3.76! C(o=-4.3!,f=-5.2!) USER MOD Set 4.2: A 83 MET CE :methyl -175:sc= -0.522 (180deg=-0.524) USER MOD Single : A 13 GLN : amide:sc= -0.0725 X(o=-0.072,f=0) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -3.6! C(o=-6.9!,f=-3.6!) USER MOD Single : A 26 ASN :FLIP amide:sc= 0.323 F(o=-0.22,f=0.32) USER MOD Single : A 27 MET CE :methyl -127:sc= -0.224 (180deg=-1.42) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 29 MET CE :methyl -143:sc= -2.96 (180deg=-7.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 38:sc= -3.64! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc=0.000397 X(o=0.0004,f=-0.016) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.55) USER MOD Single : A 85 ASN :FLIP amide:sc= -10! C(o=-15!,f=-10!) USER MOD Single : A 86 SER OG : rot -130:sc= -0.983 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -141:sc= -0.798 (180deg=-3.24!) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 104 THR OG1 : rot -159:sc= 0.669 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 CYS SG : rot 95:sc= 0.689 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 113 CYS SG : rot -62:sc= -3.4! USER MOD Single : A 119 TYR OH : rot 66:sc= 0.565 USER MOD Single : A 124 ASN :FLIP amide:sc= -1.89 F(o=-3.6,f=-1.9) USER MOD Single : A 125 HIS : no HD1:sc= -0.0982 X(o=-0.098,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 102 N ILE A 11 15.301 -9.742 0.597 1.00 0.00 N ATOM 103 CA ILE A 11 15.523 -8.578 -0.253 1.00 0.00 C ATOM 104 C ILE A 11 16.027 -8.992 -1.631 1.00 0.00 C ATOM 105 O ILE A 11 15.716 -8.352 -2.634 1.00 0.00 O ATOM 106 CB ILE A 11 16.533 -7.604 0.381 1.00 0.00 C ATOM 107 CG1 ILE A 11 15.917 -6.917 1.601 1.00 0.00 C ATOM 108 CG2 ILE A 11 16.986 -6.572 -0.642 1.00 0.00 C ATOM 109 CD1 ILE A 11 16.868 -5.981 2.312 1.00 0.00 C ATOM 0 HA ILE A 11 14.562 -8.074 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 11 17.405 -8.170 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.036 -6.357 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 11 15.577 -7.678 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 11 17.700 -5.890 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 11 17.460 -7.077 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.123 -6.008 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.364 -5.530 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.738 -6.540 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.189 -5.198 1.625 1.00 0.00 H new ATOM 121 N GLU A 12 16.807 -10.068 -1.671 1.00 0.00 N ATOM 122 CA GLU A 12 17.354 -10.567 -2.927 1.00 0.00 C ATOM 123 C GLU A 12 16.257 -11.179 -3.793 1.00 0.00 C ATOM 124 O GLU A 12 16.312 -11.113 -5.021 1.00 0.00 O ATOM 125 CB GLU A 12 18.445 -11.606 -2.657 1.00 0.00 C ATOM 126 CG GLU A 12 19.732 -11.010 -2.113 1.00 0.00 C ATOM 127 CD GLU A 12 20.938 -11.891 -2.372 1.00 0.00 C ATOM 128 OE1 GLU A 12 20.777 -13.130 -2.380 1.00 0.00 O ATOM 129 OE2 GLU A 12 22.043 -11.343 -2.566 1.00 0.00 O ATOM 0 H GLU A 12 17.074 -10.610 -0.849 1.00 0.00 H new ATOM 0 HA GLU A 12 17.790 -9.724 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 12 18.067 -12.342 -1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 12 18.664 -12.139 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.896 -10.033 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 12 19.628 -10.849 -1.040 1.00 0.00 H new ATOM 136 N GLN A 13 15.262 -11.775 -3.144 1.00 0.00 N ATOM 137 CA GLN A 13 14.153 -12.400 -3.854 1.00 0.00 C ATOM 138 C GLN A 13 13.142 -11.354 -4.314 1.00 0.00 C ATOM 139 O GLN A 13 12.332 -11.609 -5.206 1.00 0.00 O ATOM 140 CB GLN A 13 13.464 -13.433 -2.960 1.00 0.00 C ATOM 141 CG GLN A 13 14.326 -14.650 -2.661 1.00 0.00 C ATOM 142 CD GLN A 13 14.166 -15.747 -3.695 1.00 0.00 C ATOM 143 OE1 GLN A 13 15.117 -16.104 -4.391 1.00 0.00 O ATOM 144 NE2 GLN A 13 12.958 -16.288 -3.802 1.00 0.00 N ATOM 0 H GLN A 13 15.201 -11.838 -2.128 1.00 0.00 H new ATOM 0 HA GLN A 13 14.555 -12.902 -4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.182 -12.958 -2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.542 -13.760 -3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.372 -14.347 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.066 -15.042 -1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.198 -15.962 -3.205 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.790 -17.030 -4.481 1.00 0.00 H new ATOM 153 N LEU A 14 13.195 -10.178 -3.699 1.00 0.00 N ATOM 154 CA LEU A 14 12.284 -9.093 -4.044 1.00 0.00 C ATOM 155 C LEU A 14 12.890 -8.194 -5.117 1.00 0.00 C ATOM 156 O LEU A 14 12.350 -8.073 -6.218 1.00 0.00 O ATOM 157 CB LEU A 14 11.948 -8.267 -2.801 1.00 0.00 C ATOM 158 CG LEU A 14 10.744 -8.741 -1.986 1.00 0.00 C ATOM 159 CD1 LEU A 14 10.913 -8.370 -0.521 1.00 0.00 C ATOM 160 CD2 LEU A 14 9.457 -8.150 -2.542 1.00 0.00 C ATOM 0 H LEU A 14 13.859 -9.952 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 14 11.368 -9.533 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.821 -8.257 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.769 -7.237 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 14 10.683 -9.827 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.047 -8.715 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.814 -8.841 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.999 -7.287 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.611 -8.498 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.507 -7.062 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.329 -8.466 -3.577 1.00 0.00 H new ATOM 172 N LEU A 15 14.014 -7.567 -4.791 1.00 0.00 N ATOM 173 CA LEU A 15 14.696 -6.680 -5.727 1.00 0.00 C ATOM 174 C LEU A 15 14.575 -7.200 -7.156 1.00 0.00 C ATOM 175 O LEU A 15 14.104 -6.492 -8.046 1.00 0.00 O ATOM 176 CB LEU A 15 16.171 -6.541 -5.347 1.00 0.00 C ATOM 177 CG LEU A 15 16.496 -5.482 -4.293 1.00 0.00 C ATOM 178 CD1 LEU A 15 17.994 -5.420 -4.042 1.00 0.00 C ATOM 179 CD2 LEU A 15 15.969 -4.121 -4.726 1.00 0.00 C ATOM 0 H LEU A 15 14.473 -7.656 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 15 14.220 -5.701 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.524 -7.506 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.738 -6.313 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 15 16.004 -5.761 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.206 -4.661 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.344 -6.390 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.508 -5.165 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 15 16.209 -3.379 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.432 -3.835 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.888 -4.173 -4.854 1.00 0.00 H new ATOM 191 N GLU A 16 15.000 -8.442 -7.367 1.00 0.00 N ATOM 192 CA GLU A 16 14.937 -9.057 -8.688 1.00 0.00 C ATOM 193 C GLU A 16 13.511 -9.035 -9.230 1.00 0.00 C ATOM 194 O GLU A 16 13.289 -8.782 -10.414 1.00 0.00 O ATOM 195 CB GLU A 16 15.450 -10.497 -8.629 1.00 0.00 C ATOM 196 CG GLU A 16 14.702 -11.370 -7.636 1.00 0.00 C ATOM 197 CD GLU A 16 15.193 -12.805 -7.636 1.00 0.00 C ATOM 198 OE1 GLU A 16 14.861 -13.546 -8.585 1.00 0.00 O ATOM 199 OE2 GLU A 16 15.908 -13.187 -6.687 1.00 0.00 O ATOM 0 H GLU A 16 15.391 -9.042 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 16 15.572 -8.480 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 16 15.373 -10.942 -9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.508 -10.486 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.812 -10.952 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.638 -11.354 -7.873 1.00 0.00 H new ATOM 206 N PHE A 17 12.547 -9.303 -8.355 1.00 0.00 N ATOM 207 CA PHE A 17 11.142 -9.317 -8.746 1.00 0.00 C ATOM 208 C PHE A 17 10.668 -7.915 -9.119 1.00 0.00 C ATOM 209 O PHE A 17 9.872 -7.743 -10.042 1.00 0.00 O ATOM 210 CB PHE A 17 10.280 -9.873 -7.610 1.00 0.00 C ATOM 211 CG PHE A 17 8.886 -9.315 -7.586 1.00 0.00 C ATOM 212 CD1 PHE A 17 7.912 -9.811 -8.438 1.00 0.00 C ATOM 213 CD2 PHE A 17 8.550 -8.293 -6.713 1.00 0.00 C ATOM 214 CE1 PHE A 17 6.628 -9.299 -8.418 1.00 0.00 C ATOM 215 CE2 PHE A 17 7.268 -7.777 -6.689 1.00 0.00 C ATOM 216 CZ PHE A 17 6.306 -8.281 -7.543 1.00 0.00 C ATOM 0 H PHE A 17 12.713 -9.513 -7.371 1.00 0.00 H new ATOM 0 HA PHE A 17 11.040 -9.961 -9.619 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.227 -10.958 -7.703 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.765 -9.658 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.159 -10.607 -9.125 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.298 -7.895 -6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.878 -9.695 -9.086 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.019 -6.981 -6.003 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.304 -7.879 -7.526 1.00 0.00 H new ATOM 226 N MET A 18 11.163 -6.917 -8.395 1.00 0.00 N ATOM 227 CA MET A 18 10.791 -5.530 -8.651 1.00 0.00 C ATOM 228 C MET A 18 11.217 -5.102 -10.052 1.00 0.00 C ATOM 229 O MET A 18 10.807 -4.049 -10.541 1.00 0.00 O ATOM 230 CB MET A 18 11.428 -4.609 -7.608 1.00 0.00 C ATOM 231 CG MET A 18 10.779 -4.704 -6.236 1.00 0.00 C ATOM 232 SD MET A 18 11.861 -4.124 -4.915 1.00 0.00 S ATOM 233 CE MET A 18 11.433 -2.385 -4.867 1.00 0.00 C ATOM 0 H MET A 18 11.822 -7.042 -7.627 1.00 0.00 H new ATOM 0 HA MET A 18 9.706 -5.452 -8.581 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.487 -4.853 -7.518 1.00 0.00 H new ATOM 0 HB3 MET A 18 11.367 -3.579 -7.959 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.860 -4.118 -6.232 1.00 0.00 H new ATOM 0 HG3 MET A 18 10.498 -5.739 -6.042 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.008 -1.890 -4.084 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.662 -1.927 -5.829 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.369 -2.278 -4.658 1.00 0.00 H new ATOM 243 N HIS A 19 12.041 -5.925 -10.692 1.00 0.00 N ATOM 244 CA HIS A 19 12.522 -5.631 -12.038 1.00 0.00 C ATOM 245 C HIS A 19 11.483 -6.024 -13.083 1.00 0.00 C ATOM 246 O HIS A 19 11.642 -5.734 -14.269 1.00 0.00 O ATOM 247 CB HIS A 19 13.835 -6.367 -12.305 1.00 0.00 C ATOM 248 CG HIS A 19 13.651 -7.708 -12.946 1.00 0.00 C ATOM 249 ND1 HIS A 19 12.633 -8.597 -12.863 1.00 0.00 N flip ATOM 250 CD2 HIS A 19 14.584 -8.274 -13.788 1.00 0.00 C flip ATOM 251 CE1 HIS A 19 12.966 -9.672 -13.650 1.00 0.00 C flip ATOM 252 NE2 HIS A 19 14.148 -9.452 -14.197 1.00 0.00 N flip ATOM 0 H HIS A 19 12.390 -6.800 -10.301 1.00 0.00 H new ATOM 0 HA HIS A 19 12.695 -4.557 -12.109 1.00 0.00 H new ATOM 0 HB2 HIS A 19 14.464 -5.750 -12.947 1.00 0.00 H new ATOM 0 HB3 HIS A 19 14.369 -6.494 -11.363 1.00 0.00 H new ATOM 0 HD2 HIS A 19 15.525 -7.825 -14.069 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.360 -10.554 -13.798 1.00 0.00 H new ATOM 0 HE2 HIS A 19 14.640 -10.084 -14.828 1.00 0.00 H new ATOM 261 N GLN A 20 10.421 -6.687 -12.636 1.00 0.00 N ATOM 262 CA GLN A 20 9.357 -7.120 -13.534 1.00 0.00 C ATOM 263 C GLN A 20 8.133 -6.221 -13.402 1.00 0.00 C ATOM 264 O GLN A 20 7.245 -6.234 -14.256 1.00 0.00 O ATOM 265 CB GLN A 20 8.973 -8.571 -13.240 1.00 0.00 C ATOM 266 CG GLN A 20 7.957 -8.717 -12.118 1.00 0.00 C ATOM 267 CD GLN A 20 8.042 -10.062 -11.424 1.00 0.00 C ATOM 268 OE1 GLN A 20 9.130 -10.535 -11.094 1.00 0.00 O ATOM 269 NE2 GLN A 20 6.892 -10.685 -11.199 1.00 0.00 N ATOM 0 H GLN A 20 10.275 -6.936 -11.658 1.00 0.00 H new ATOM 0 HA GLN A 20 9.728 -7.049 -14.557 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.568 -9.022 -14.146 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.872 -9.130 -12.980 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.113 -7.924 -11.386 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.954 -8.584 -12.522 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.014 -10.255 -11.490 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.886 -11.593 -10.735 1.00 0.00 H new ATOM 278 N LEU A 21 8.091 -5.441 -12.328 1.00 0.00 N ATOM 279 CA LEU A 21 6.974 -4.534 -12.083 1.00 0.00 C ATOM 280 C LEU A 21 7.307 -3.122 -12.552 1.00 0.00 C ATOM 281 O LEU A 21 8.409 -2.615 -12.341 1.00 0.00 O ATOM 282 CB LEU A 21 6.619 -4.520 -10.595 1.00 0.00 C ATOM 283 CG LEU A 21 6.129 -5.845 -10.009 1.00 0.00 C ATOM 284 CD1 LEU A 21 5.565 -5.635 -8.613 1.00 0.00 C ATOM 285 CD2 LEU A 21 5.086 -6.477 -10.919 1.00 0.00 C ATOM 0 H LEU A 21 8.817 -5.418 -11.612 1.00 0.00 H new ATOM 0 HA LEU A 21 6.115 -4.892 -12.651 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.498 -4.201 -10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.848 -3.767 -10.433 1.00 0.00 H new ATOM 0 HG LEU A 21 6.978 -6.525 -9.936 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.221 -6.589 -8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.341 -5.227 -7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.728 -4.938 -8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.749 -7.419 -10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.237 -5.801 -11.024 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.524 -6.664 -11.899 1.00 0.00 H new ATOM 297 N PRO A 22 6.333 -2.468 -13.201 1.00 0.00 N ATOM 298 CA PRO A 22 6.498 -1.103 -13.711 1.00 0.00 C ATOM 299 C PRO A 22 6.577 -0.072 -12.590 1.00 0.00 C ATOM 300 O PRO A 22 7.412 0.831 -12.624 1.00 0.00 O ATOM 301 CB PRO A 22 5.238 -0.884 -14.552 1.00 0.00 C ATOM 302 CG PRO A 22 4.227 -1.810 -13.969 1.00 0.00 C ATOM 303 CD PRO A 22 4.994 -3.011 -13.488 1.00 0.00 C ATOM 0 HA PRO A 22 7.426 -0.986 -14.271 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.903 0.152 -14.500 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.420 -1.108 -15.603 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.691 -1.335 -13.148 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.483 -2.094 -14.713 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.539 -3.449 -12.600 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.032 -3.794 -14.246 1.00 0.00 H new ATOM 311 N ALA A 23 5.703 -0.214 -11.599 1.00 0.00 N ATOM 312 CA ALA A 23 5.677 0.705 -10.467 1.00 0.00 C ATOM 313 C ALA A 23 7.037 0.770 -9.782 1.00 0.00 C ATOM 314 O ALA A 23 7.396 1.788 -9.188 1.00 0.00 O ATOM 315 CB ALA A 23 4.602 0.287 -9.474 1.00 0.00 C ATOM 0 H ALA A 23 5.004 -0.956 -11.557 1.00 0.00 H new ATOM 0 HA ALA A 23 5.442 1.701 -10.843 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.593 0.981 -8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.629 0.299 -9.965 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.813 -0.719 -9.111 1.00 0.00 H new ATOM 321 N PHE A 24 7.790 -0.321 -9.866 1.00 0.00 N ATOM 322 CA PHE A 24 9.111 -0.388 -9.251 1.00 0.00 C ATOM 323 C PHE A 24 10.200 -0.047 -10.265 1.00 0.00 C ATOM 324 O PHE A 24 11.051 0.805 -10.013 1.00 0.00 O ATOM 325 CB PHE A 24 9.357 -1.782 -8.671 1.00 0.00 C ATOM 326 CG PHE A 24 8.631 -2.031 -7.380 1.00 0.00 C ATOM 327 CD1 PHE A 24 8.833 -1.205 -6.286 1.00 0.00 C ATOM 328 CD2 PHE A 24 7.745 -3.090 -7.260 1.00 0.00 C ATOM 329 CE1 PHE A 24 8.167 -1.432 -5.097 1.00 0.00 C ATOM 330 CE2 PHE A 24 7.076 -3.321 -6.073 1.00 0.00 C ATOM 331 CZ PHE A 24 7.286 -2.490 -4.990 1.00 0.00 C ATOM 0 H PHE A 24 7.508 -1.171 -10.354 1.00 0.00 H new ATOM 0 HA PHE A 24 9.147 0.344 -8.445 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.049 -2.530 -9.402 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.427 -1.916 -8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 24 9.519 -0.374 -6.364 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.575 -3.742 -8.104 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.335 -0.782 -4.251 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.389 -4.151 -5.992 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.763 -2.667 -4.062 1.00 0.00 H new ATOM 341 N ALA A 25 10.165 -0.720 -11.410 1.00 0.00 N ATOM 342 CA ALA A 25 11.147 -0.489 -12.462 1.00 0.00 C ATOM 343 C ALA A 25 11.424 1.001 -12.637 1.00 0.00 C ATOM 344 O ALA A 25 12.539 1.400 -12.970 1.00 0.00 O ATOM 345 CB ALA A 25 10.670 -1.096 -13.773 1.00 0.00 C ATOM 0 H ALA A 25 9.467 -1.430 -11.633 1.00 0.00 H new ATOM 0 HA ALA A 25 12.078 -0.973 -12.168 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.414 -0.916 -14.549 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.530 -2.170 -13.647 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.724 -0.638 -14.063 1.00 0.00 H new ATOM 351 N ASN A 26 10.401 1.818 -12.410 1.00 0.00 N ATOM 352 CA ASN A 26 10.534 3.265 -12.543 1.00 0.00 C ATOM 353 C ASN A 26 11.717 3.780 -11.729 1.00 0.00 C ATOM 354 O ASN A 26 12.547 4.536 -12.232 1.00 0.00 O ATOM 355 CB ASN A 26 9.248 3.960 -12.092 1.00 0.00 C ATOM 356 CG ASN A 26 8.240 4.099 -13.216 1.00 0.00 C ATOM 357 OD1 ASN A 26 7.774 5.322 -13.445 1.00 0.00 O flip ATOM 358 ND2 ASN A 26 7.886 3.120 -13.872 1.00 0.00 N flip ATOM 0 H ASN A 26 9.471 1.504 -12.133 1.00 0.00 H new ATOM 0 HA ASN A 26 10.713 3.493 -13.594 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.801 3.395 -11.274 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.490 4.948 -11.701 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.270 2.199 -13.661 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.208 3.230 -14.627 1.00 0.00 H new ATOM 365 N MET A 27 11.786 3.364 -10.469 1.00 0.00 N ATOM 366 CA MET A 27 12.868 3.782 -9.585 1.00 0.00 C ATOM 367 C MET A 27 14.180 3.107 -9.975 1.00 0.00 C ATOM 368 O MET A 27 14.212 2.256 -10.864 1.00 0.00 O ATOM 369 CB MET A 27 12.524 3.453 -8.131 1.00 0.00 C ATOM 370 CG MET A 27 11.261 4.138 -7.635 1.00 0.00 C ATOM 371 SD MET A 27 10.508 3.281 -6.239 1.00 0.00 S ATOM 372 CE MET A 27 8.796 3.220 -6.763 1.00 0.00 C ATOM 0 H MET A 27 11.106 2.738 -10.037 1.00 0.00 H new ATOM 0 HA MET A 27 12.990 4.860 -9.686 1.00 0.00 H new ATOM 0 HB2 MET A 27 12.406 2.374 -8.029 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.359 3.744 -7.494 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.498 5.161 -7.343 1.00 0.00 H new ATOM 0 HG3 MET A 27 10.541 4.198 -8.451 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.161 3.633 -5.979 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.674 3.804 -7.675 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.511 2.186 -6.954 1.00 0.00 H new ATOM 382 N THR A 28 15.261 3.492 -9.303 1.00 0.00 N ATOM 383 CA THR A 28 16.575 2.925 -9.581 1.00 0.00 C ATOM 384 C THR A 28 16.902 1.795 -8.612 1.00 0.00 C ATOM 385 O THR A 28 16.302 1.689 -7.542 1.00 0.00 O ATOM 386 CB THR A 28 17.678 3.997 -9.493 1.00 0.00 C ATOM 387 OG1 THR A 28 18.944 3.425 -9.843 1.00 0.00 O ATOM 388 CG2 THR A 28 17.751 4.585 -8.092 1.00 0.00 C ATOM 0 H THR A 28 15.252 4.194 -8.563 1.00 0.00 H new ATOM 0 HA THR A 28 16.541 2.530 -10.597 1.00 0.00 H new ATOM 0 HB THR A 28 17.434 4.797 -10.192 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.640 4.112 -9.787 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.537 5.339 -8.055 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.795 5.044 -7.840 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.973 3.794 -7.376 1.00 0.00 H new ATOM 396 N MET A 29 17.856 0.952 -8.993 1.00 0.00 N ATOM 397 CA MET A 29 18.264 -0.170 -8.155 1.00 0.00 C ATOM 398 C MET A 29 18.232 0.214 -6.679 1.00 0.00 C ATOM 399 O MET A 29 17.398 -0.276 -5.918 1.00 0.00 O ATOM 400 CB MET A 29 19.667 -0.639 -8.542 1.00 0.00 C ATOM 401 CG MET A 29 20.192 -1.769 -7.672 1.00 0.00 C ATOM 402 SD MET A 29 19.709 -3.397 -8.280 1.00 0.00 S ATOM 403 CE MET A 29 17.968 -3.413 -7.860 1.00 0.00 C ATOM 0 H MET A 29 18.361 1.024 -9.876 1.00 0.00 H new ATOM 0 HA MET A 29 17.559 -0.986 -8.315 1.00 0.00 H new ATOM 0 HB2 MET A 29 19.658 -0.966 -9.582 1.00 0.00 H new ATOM 0 HB3 MET A 29 20.353 0.205 -8.480 1.00 0.00 H new ATOM 0 HG2 MET A 29 21.279 -1.711 -7.625 1.00 0.00 H new ATOM 0 HG3 MET A 29 19.822 -1.641 -6.655 1.00 0.00 H new ATOM 0 HE1 MET A 29 17.680 -4.415 -7.542 1.00 0.00 H new ATOM 0 HE2 MET A 29 17.783 -2.708 -7.050 1.00 0.00 H new ATOM 0 HE3 MET A 29 17.381 -3.126 -8.732 1.00 0.00 H new ATOM 413 N SER A 30 19.147 1.093 -6.281 1.00 0.00 N ATOM 414 CA SER A 30 19.226 1.539 -4.895 1.00 0.00 C ATOM 415 C SER A 30 17.832 1.712 -4.300 1.00 0.00 C ATOM 416 O SER A 30 17.439 0.984 -3.389 1.00 0.00 O ATOM 417 CB SER A 30 19.999 2.857 -4.805 1.00 0.00 C ATOM 418 OG SER A 30 21.381 2.655 -5.044 1.00 0.00 O ATOM 0 H SER A 30 19.843 1.510 -6.899 1.00 0.00 H new ATOM 0 HA SER A 30 19.754 0.776 -4.323 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.601 3.566 -5.531 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.858 3.298 -3.818 1.00 0.00 H new ATOM 0 HG SER A 30 21.852 3.512 -4.983 1.00 0.00 H new ATOM 424 N VAL A 31 17.089 2.683 -4.821 1.00 0.00 N ATOM 425 CA VAL A 31 15.738 2.952 -4.343 1.00 0.00 C ATOM 426 C VAL A 31 15.004 1.658 -4.013 1.00 0.00 C ATOM 427 O VAL A 31 14.571 1.450 -2.879 1.00 0.00 O ATOM 428 CB VAL A 31 14.922 3.742 -5.384 1.00 0.00 C ATOM 429 CG1 VAL A 31 13.435 3.650 -5.077 1.00 0.00 C ATOM 430 CG2 VAL A 31 15.377 5.193 -5.428 1.00 0.00 C ATOM 0 H VAL A 31 17.400 3.297 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 31 15.836 3.551 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 31 15.094 3.302 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.874 4.214 -5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.122 2.606 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.241 4.064 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.790 5.736 -6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.236 5.649 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.432 5.235 -5.699 1.00 0.00 H new ATOM 440 N ARG A 32 14.867 0.790 -5.010 1.00 0.00 N ATOM 441 CA ARG A 32 14.184 -0.485 -4.825 1.00 0.00 C ATOM 442 C ARG A 32 14.525 -1.092 -3.468 1.00 0.00 C ATOM 443 O ARG A 32 13.640 -1.345 -2.650 1.00 0.00 O ATOM 444 CB ARG A 32 14.566 -1.458 -5.942 1.00 0.00 C ATOM 445 CG ARG A 32 14.232 -0.948 -7.335 1.00 0.00 C ATOM 446 CD ARG A 32 14.656 -1.940 -8.407 1.00 0.00 C ATOM 447 NE ARG A 32 14.670 -1.336 -9.736 1.00 0.00 N ATOM 448 CZ ARG A 32 14.687 -2.039 -10.863 1.00 0.00 C ATOM 449 NH1 ARG A 32 14.690 -3.364 -10.822 1.00 0.00 N ATOM 450 NH2 ARG A 32 14.699 -1.416 -12.035 1.00 0.00 N ATOM 0 H ARG A 32 15.220 0.946 -5.954 1.00 0.00 H new ATOM 0 HA ARG A 32 13.110 -0.303 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.635 -1.661 -5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.053 -2.405 -5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.160 -0.766 -7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.730 0.007 -7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.649 -2.324 -8.173 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.975 -2.791 -8.403 1.00 0.00 H new ATOM 0 HE ARG A 32 14.667 -0.318 -9.803 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.679 -3.846 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.703 -3.901 -11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.695 -0.397 -12.071 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.712 -1.957 -12.900 1.00 0.00 H new ATOM 464 N ARG A 33 15.813 -1.324 -3.235 1.00 0.00 N ATOM 465 CA ARG A 33 16.270 -1.903 -1.978 1.00 0.00 C ATOM 466 C ARG A 33 15.747 -1.103 -0.789 1.00 0.00 C ATOM 467 O ARG A 33 15.108 -1.653 0.108 1.00 0.00 O ATOM 468 CB ARG A 33 17.798 -1.953 -1.941 1.00 0.00 C ATOM 469 CG ARG A 33 18.351 -3.087 -1.094 1.00 0.00 C ATOM 470 CD ARG A 33 18.266 -2.767 0.390 1.00 0.00 C ATOM 471 NE ARG A 33 19.037 -3.709 1.198 1.00 0.00 N ATOM 472 CZ ARG A 33 19.374 -3.487 2.464 1.00 0.00 C ATOM 473 NH1 ARG A 33 19.011 -2.361 3.063 1.00 0.00 N ATOM 474 NH2 ARG A 33 20.076 -4.392 3.133 1.00 0.00 N ATOM 0 H ARG A 33 16.558 -1.120 -3.901 1.00 0.00 H new ATOM 0 HA ARG A 33 15.879 -2.918 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 33 18.174 -2.055 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.175 -1.006 -1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.796 -4.002 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.389 -3.274 -1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 33 18.632 -1.755 0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.223 -2.787 0.706 1.00 0.00 H new ATOM 0 HE ARG A 33 19.333 -4.585 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.472 -1.662 2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.271 -2.194 4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.358 -5.259 2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.334 -4.221 4.105 1.00 0.00 H new ATOM 488 N GLU A 34 16.023 0.197 -0.789 1.00 0.00 N ATOM 489 CA GLU A 34 15.581 1.071 0.291 1.00 0.00 C ATOM 490 C GLU A 34 14.114 0.820 0.629 1.00 0.00 C ATOM 491 O GLU A 34 13.749 0.682 1.797 1.00 0.00 O ATOM 492 CB GLU A 34 15.783 2.538 -0.096 1.00 0.00 C ATOM 493 CG GLU A 34 17.175 2.843 -0.621 1.00 0.00 C ATOM 494 CD GLU A 34 18.259 2.097 0.133 1.00 0.00 C ATOM 495 OE1 GLU A 34 18.414 2.343 1.348 1.00 0.00 O ATOM 496 OE2 GLU A 34 18.952 1.268 -0.492 1.00 0.00 O ATOM 0 H GLU A 34 16.550 0.668 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 34 16.182 0.849 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.050 2.809 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.587 3.165 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.226 2.581 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.360 3.915 -0.549 1.00 0.00 H new ATOM 503 N LEU A 35 13.277 0.763 -0.402 1.00 0.00 N ATOM 504 CA LEU A 35 11.849 0.530 -0.216 1.00 0.00 C ATOM 505 C LEU A 35 11.608 -0.700 0.654 1.00 0.00 C ATOM 506 O LEU A 35 10.876 -0.639 1.643 1.00 0.00 O ATOM 507 CB LEU A 35 11.161 0.354 -1.570 1.00 0.00 C ATOM 508 CG LEU A 35 11.035 1.613 -2.428 1.00 0.00 C ATOM 509 CD1 LEU A 35 10.990 1.251 -3.905 1.00 0.00 C ATOM 510 CD2 LEU A 35 9.798 2.406 -2.034 1.00 0.00 C ATOM 0 H LEU A 35 13.563 0.875 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 35 11.426 1.398 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.710 -0.396 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.162 -0.046 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 35 11.912 2.236 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.900 2.160 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.906 0.727 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.132 0.606 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.725 3.299 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.910 1.790 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.871 2.698 -0.986 1.00 0.00 H new ATOM 522 N CYS A 36 12.228 -1.814 0.280 1.00 0.00 N ATOM 523 CA CYS A 36 12.081 -3.058 1.027 1.00 0.00 C ATOM 524 C CYS A 36 12.467 -2.862 2.490 1.00 0.00 C ATOM 525 O CYS A 36 12.142 -3.688 3.343 1.00 0.00 O ATOM 526 CB CYS A 36 12.943 -4.156 0.403 1.00 0.00 C ATOM 527 SG CYS A 36 12.443 -5.834 0.855 1.00 0.00 S ATOM 0 H CYS A 36 12.837 -1.881 -0.536 1.00 0.00 H new ATOM 0 HA CYS A 36 11.034 -3.358 0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.908 -4.058 -0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 36 13.980 -4.004 0.704 1.00 0.00 H new ATOM 0 HG CYS A 36 11.146 -5.901 0.909 1.00 0.00 H new ATOM 533 N SER A 37 13.162 -1.765 2.772 1.00 0.00 N ATOM 534 CA SER A 37 13.596 -1.464 4.131 1.00 0.00 C ATOM 535 C SER A 37 12.417 -1.027 4.994 1.00 0.00 C ATOM 536 O SER A 37 12.388 -1.275 6.199 1.00 0.00 O ATOM 537 CB SER A 37 14.665 -0.369 4.116 1.00 0.00 C ATOM 538 OG SER A 37 15.540 -0.496 5.224 1.00 0.00 O ATOM 0 H SER A 37 13.437 -1.070 2.078 1.00 0.00 H new ATOM 0 HA SER A 37 14.021 -2.372 4.560 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.236 -0.426 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.187 0.611 4.136 1.00 0.00 H new ATOM 0 HG SER A 37 16.215 0.214 5.191 1.00 0.00 H new ATOM 544 N VAL A 38 11.443 -0.373 4.368 1.00 0.00 N ATOM 545 CA VAL A 38 10.260 0.099 5.077 1.00 0.00 C ATOM 546 C VAL A 38 8.987 -0.477 4.466 1.00 0.00 C ATOM 547 O VAL A 38 7.894 0.049 4.674 1.00 0.00 O ATOM 548 CB VAL A 38 10.173 1.637 5.062 1.00 0.00 C ATOM 549 CG1 VAL A 38 11.136 2.236 6.075 1.00 0.00 C ATOM 550 CG2 VAL A 38 10.452 2.172 3.666 1.00 0.00 C ATOM 0 H VAL A 38 11.450 -0.158 3.371 1.00 0.00 H new ATOM 0 HA VAL A 38 10.352 -0.242 6.108 1.00 0.00 H new ATOM 0 HB VAL A 38 9.161 1.930 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.061 3.323 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.884 1.878 7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.155 1.937 5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.386 3.260 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.452 1.871 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.718 1.769 2.968 1.00 0.00 H new ATOM 560 N MET A 39 9.137 -1.561 3.713 1.00 0.00 N ATOM 561 CA MET A 39 7.999 -2.211 3.073 1.00 0.00 C ATOM 562 C MET A 39 7.175 -2.991 4.092 1.00 0.00 C ATOM 563 O MET A 39 7.723 -3.716 4.923 1.00 0.00 O ATOM 564 CB MET A 39 8.477 -3.147 1.961 1.00 0.00 C ATOM 565 CG MET A 39 8.599 -2.469 0.606 1.00 0.00 C ATOM 566 SD MET A 39 8.311 -3.603 -0.766 1.00 0.00 S ATOM 567 CE MET A 39 8.826 -2.594 -2.153 1.00 0.00 C ATOM 0 H MET A 39 10.035 -2.008 3.531 1.00 0.00 H new ATOM 0 HA MET A 39 7.367 -1.436 2.638 1.00 0.00 H new ATOM 0 HB2 MET A 39 9.446 -3.563 2.239 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.783 -3.984 1.878 1.00 0.00 H new ATOM 0 HG2 MET A 39 7.885 -1.648 0.549 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.594 -2.034 0.510 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.911 -3.216 -3.044 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.089 -1.810 -2.326 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.793 -2.140 -1.934 1.00 0.00 H new ATOM 577 N ILE A 40 5.857 -2.838 4.022 1.00 0.00 N ATOM 578 CA ILE A 40 4.959 -3.529 4.938 1.00 0.00 C ATOM 579 C ILE A 40 4.402 -4.801 4.308 1.00 0.00 C ATOM 580 O ILE A 40 4.258 -4.891 3.088 1.00 0.00 O ATOM 581 CB ILE A 40 3.786 -2.626 5.366 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.311 -1.361 6.047 1.00 0.00 C ATOM 583 CG2 ILE A 40 2.846 -3.382 6.293 1.00 0.00 C ATOM 584 CD1 ILE A 40 3.292 -0.245 6.117 1.00 0.00 C ATOM 0 H ILE A 40 5.388 -2.242 3.340 1.00 0.00 H new ATOM 0 HA ILE A 40 5.547 -3.789 5.818 1.00 0.00 H new ATOM 0 HB ILE A 40 3.229 -2.333 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.635 -1.610 7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.190 -1.006 5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.023 -2.731 6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.450 -4.256 5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.390 -3.701 7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.733 0.620 6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.985 0.032 5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.422 -0.581 6.681 1.00 0.00 H new ATOM 596 N PHE A 41 4.089 -5.783 5.147 1.00 0.00 N ATOM 597 CA PHE A 41 3.547 -7.051 4.672 1.00 0.00 C ATOM 598 C PHE A 41 2.078 -7.194 5.059 1.00 0.00 C ATOM 599 O PHE A 41 1.750 -7.372 6.232 1.00 0.00 O ATOM 600 CB PHE A 41 4.353 -8.220 5.242 1.00 0.00 C ATOM 601 CG PHE A 41 5.696 -8.395 4.593 1.00 0.00 C ATOM 602 CD1 PHE A 41 5.798 -8.603 3.227 1.00 0.00 C ATOM 603 CD2 PHE A 41 6.856 -8.352 5.350 1.00 0.00 C ATOM 604 CE1 PHE A 41 7.033 -8.765 2.627 1.00 0.00 C ATOM 605 CE2 PHE A 41 8.093 -8.513 4.755 1.00 0.00 C ATOM 606 CZ PHE A 41 8.182 -8.720 3.392 1.00 0.00 C ATOM 0 H PHE A 41 4.201 -5.725 6.159 1.00 0.00 H new ATOM 0 HA PHE A 41 3.621 -7.064 3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.493 -8.067 6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.779 -9.139 5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.903 -8.639 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.793 -8.191 6.416 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.099 -8.927 1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.990 -8.477 5.356 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.148 -8.846 2.926 1.00 0.00 H new ATOM 616 N GLU A 42 1.199 -7.112 4.065 1.00 0.00 N ATOM 617 CA GLU A 42 -0.235 -7.231 4.303 1.00 0.00 C ATOM 618 C GLU A 42 -0.910 -8.008 3.176 1.00 0.00 C ATOM 619 O GLU A 42 -0.675 -7.743 1.997 1.00 0.00 O ATOM 620 CB GLU A 42 -0.869 -5.845 4.433 1.00 0.00 C ATOM 621 CG GLU A 42 -0.820 -5.283 5.844 1.00 0.00 C ATOM 622 CD GLU A 42 -1.617 -6.115 6.831 1.00 0.00 C ATOM 623 OE1 GLU A 42 -2.729 -6.555 6.473 1.00 0.00 O ATOM 624 OE2 GLU A 42 -1.128 -6.326 7.960 1.00 0.00 O ATOM 0 H GLU A 42 1.454 -6.964 3.089 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.379 -7.777 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.359 -5.157 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.908 -5.898 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.217 -5.229 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.206 -4.264 5.839 1.00 0.00 H new ATOM 631 N VAL A 43 -1.751 -8.967 3.548 1.00 0.00 N ATOM 632 CA VAL A 43 -2.462 -9.783 2.570 1.00 0.00 C ATOM 633 C VAL A 43 -3.886 -10.075 3.030 1.00 0.00 C ATOM 634 O VAL A 43 -4.107 -10.528 4.153 1.00 0.00 O ATOM 635 CB VAL A 43 -1.733 -11.115 2.315 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.530 -11.872 3.618 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.504 -11.960 1.312 1.00 0.00 C ATOM 0 H VAL A 43 -1.957 -9.198 4.520 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.493 -9.211 1.643 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.752 -10.897 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.013 -12.810 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.932 -11.268 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.499 -12.081 4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.975 -12.898 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.500 -12.170 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.591 -11.418 0.370 1.00 0.00 H new ATOM 647 N VAL A 44 -4.850 -9.814 2.153 1.00 0.00 N ATOM 648 CA VAL A 44 -6.254 -10.051 2.467 1.00 0.00 C ATOM 649 C VAL A 44 -6.639 -11.502 2.202 1.00 0.00 C ATOM 650 O VAL A 44 -6.413 -12.025 1.112 1.00 0.00 O ATOM 651 CB VAL A 44 -7.176 -9.128 1.647 1.00 0.00 C ATOM 652 CG1 VAL A 44 -8.636 -9.469 1.902 1.00 0.00 C ATOM 653 CG2 VAL A 44 -6.896 -7.669 1.974 1.00 0.00 C ATOM 0 H VAL A 44 -4.684 -9.438 1.219 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.383 -9.832 3.527 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.970 -9.285 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.272 -8.807 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.824 -10.503 1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.860 -9.342 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.556 -7.031 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.073 -7.494 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.858 -7.435 1.735 1.00 0.00 H new ATOM 663 N GLU A 45 -7.224 -12.146 3.208 1.00 0.00 N ATOM 664 CA GLU A 45 -7.641 -13.538 3.083 1.00 0.00 C ATOM 665 C GLU A 45 -9.059 -13.633 2.528 1.00 0.00 C ATOM 666 O GLU A 45 -9.385 -14.561 1.789 1.00 0.00 O ATOM 667 CB GLU A 45 -7.564 -14.240 4.440 1.00 0.00 C ATOM 668 CG GLU A 45 -6.191 -14.812 4.752 1.00 0.00 C ATOM 669 CD GLU A 45 -5.871 -16.044 3.928 1.00 0.00 C ATOM 670 OE1 GLU A 45 -6.249 -17.156 4.352 1.00 0.00 O ATOM 671 OE2 GLU A 45 -5.243 -15.895 2.859 1.00 0.00 O ATOM 0 H GLU A 45 -7.419 -11.727 4.117 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.963 -14.033 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.840 -13.532 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.298 -15.045 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.434 -14.050 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.139 -15.064 5.811 1.00 0.00 H new ATOM 678 N GLN A 46 -9.896 -12.667 2.891 1.00 0.00 N ATOM 679 CA GLN A 46 -11.280 -12.643 2.431 1.00 0.00 C ATOM 680 C GLN A 46 -11.427 -11.763 1.194 1.00 0.00 C ATOM 681 O GLN A 46 -11.074 -10.584 1.213 1.00 0.00 O ATOM 682 CB GLN A 46 -12.200 -12.137 3.543 1.00 0.00 C ATOM 683 CG GLN A 46 -12.513 -13.186 4.598 1.00 0.00 C ATOM 684 CD GLN A 46 -12.870 -12.576 5.939 1.00 0.00 C ATOM 685 OE1 GLN A 46 -14.023 -12.625 6.370 1.00 0.00 O ATOM 686 NE2 GLN A 46 -11.881 -11.996 6.609 1.00 0.00 N ATOM 0 H GLN A 46 -9.641 -11.891 3.502 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.567 -13.661 2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.735 -11.277 4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.133 -11.789 3.101 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.340 -13.807 4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.651 -13.842 4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.940 -11.978 6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.062 -11.569 7.517 1.00 0.00 H new ATOM 695 N ALA A 47 -11.949 -12.345 0.119 1.00 0.00 N ATOM 696 CA ALA A 47 -12.144 -11.613 -1.127 1.00 0.00 C ATOM 697 C ALA A 47 -13.205 -10.531 -0.967 1.00 0.00 C ATOM 698 O ALA A 47 -13.822 -10.403 0.090 1.00 0.00 O ATOM 699 CB ALA A 47 -12.527 -12.570 -2.246 1.00 0.00 C ATOM 0 H ALA A 47 -12.244 -13.321 0.086 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.203 -11.127 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.670 -12.010 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.733 -13.304 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.453 -13.082 -1.986 1.00 0.00 H new ATOM 705 N GLY A 48 -13.414 -9.752 -2.025 1.00 0.00 N ATOM 706 CA GLY A 48 -14.401 -8.689 -1.981 1.00 0.00 C ATOM 707 C GLY A 48 -14.231 -7.789 -0.773 1.00 0.00 C ATOM 708 O GLY A 48 -15.208 -7.278 -0.229 1.00 0.00 O ATOM 0 H GLY A 48 -12.917 -9.839 -2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.327 -8.091 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.400 -9.125 -1.967 1.00 0.00 H new ATOM 712 N ALA A 49 -12.985 -7.596 -0.352 1.00 0.00 N ATOM 713 CA ALA A 49 -12.690 -6.752 0.799 1.00 0.00 C ATOM 714 C ALA A 49 -12.362 -5.327 0.365 1.00 0.00 C ATOM 715 O ALA A 49 -11.746 -5.113 -0.679 1.00 0.00 O ATOM 716 CB ALA A 49 -11.538 -7.338 1.602 1.00 0.00 C ATOM 0 H ALA A 49 -12.164 -8.013 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.578 -6.717 1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.329 -6.697 2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.808 -8.334 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.651 -7.403 0.972 1.00 0.00 H new ATOM 722 N ILE A 50 -12.779 -4.357 1.171 1.00 0.00 N ATOM 723 CA ILE A 50 -12.530 -2.953 0.869 1.00 0.00 C ATOM 724 C ILE A 50 -11.117 -2.547 1.275 1.00 0.00 C ATOM 725 O ILE A 50 -10.761 -2.594 2.452 1.00 0.00 O ATOM 726 CB ILE A 50 -13.541 -2.036 1.583 1.00 0.00 C ATOM 727 CG1 ILE A 50 -14.964 -2.350 1.118 1.00 0.00 C ATOM 728 CG2 ILE A 50 -13.204 -0.575 1.324 1.00 0.00 C ATOM 729 CD1 ILE A 50 -15.428 -3.740 1.491 1.00 0.00 C ATOM 0 H ILE A 50 -13.291 -4.518 2.038 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.644 -2.836 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.481 -2.219 2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.648 -1.619 1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.017 -2.236 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.927 0.061 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.203 -0.360 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.240 -0.378 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.445 -3.893 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.767 -4.478 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.407 -3.852 2.575 1.00 0.00 H new ATOM 741 N ILE A 51 -10.318 -2.145 0.292 1.00 0.00 N ATOM 742 CA ILE A 51 -8.945 -1.727 0.547 1.00 0.00 C ATOM 743 C ILE A 51 -8.888 -0.270 0.995 1.00 0.00 C ATOM 744 O ILE A 51 -8.133 0.083 1.902 1.00 0.00 O ATOM 745 CB ILE A 51 -8.062 -1.902 -0.702 1.00 0.00 C ATOM 746 CG1 ILE A 51 -8.498 -3.139 -1.492 1.00 0.00 C ATOM 747 CG2 ILE A 51 -6.598 -2.010 -0.305 1.00 0.00 C ATOM 748 CD1 ILE A 51 -8.543 -4.401 -0.661 1.00 0.00 C ATOM 0 H ILE A 51 -10.598 -2.100 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.564 -2.365 1.344 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.182 -1.026 -1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.485 -2.959 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.813 -3.287 -2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.987 -2.133 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.295 -1.104 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.461 -2.871 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.860 -5.237 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.552 -4.606 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.250 -4.272 0.158 1.00 0.00 H new ATOM 760 N LEU A 52 -9.693 0.571 0.356 1.00 0.00 N ATOM 761 CA LEU A 52 -9.737 1.991 0.690 1.00 0.00 C ATOM 762 C LEU A 52 -11.150 2.544 0.534 1.00 0.00 C ATOM 763 O LEU A 52 -12.045 1.855 0.046 1.00 0.00 O ATOM 764 CB LEU A 52 -8.770 2.774 -0.200 1.00 0.00 C ATOM 765 CG LEU A 52 -7.292 2.401 -0.076 1.00 0.00 C ATOM 766 CD1 LEU A 52 -6.499 2.964 -1.245 1.00 0.00 C ATOM 767 CD2 LEU A 52 -6.725 2.901 1.245 1.00 0.00 C ATOM 0 H LEU A 52 -10.324 0.295 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.436 2.104 1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.072 2.638 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.877 3.835 0.027 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.209 1.314 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.450 2.688 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.889 2.558 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.589 4.050 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.672 2.627 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.822 3.986 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.274 2.449 2.071 1.00 0.00 H new ATOM 779 N GLU A 53 -11.340 3.792 0.951 1.00 0.00 N ATOM 780 CA GLU A 53 -12.645 4.437 0.856 1.00 0.00 C ATOM 781 C GLU A 53 -12.517 5.839 0.269 1.00 0.00 C ATOM 782 O GLU A 53 -11.551 6.553 0.542 1.00 0.00 O ATOM 783 CB GLU A 53 -13.305 4.508 2.235 1.00 0.00 C ATOM 784 CG GLU A 53 -13.989 3.216 2.650 1.00 0.00 C ATOM 785 CD GLU A 53 -15.116 3.444 3.638 1.00 0.00 C ATOM 786 OE1 GLU A 53 -14.826 3.841 4.786 1.00 0.00 O ATOM 787 OE2 GLU A 53 -16.287 3.226 3.264 1.00 0.00 O ATOM 0 H GLU A 53 -10.609 4.376 1.357 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.270 3.839 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.549 4.764 2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.039 5.314 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.383 2.717 1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.253 2.545 3.093 1.00 0.00 H new ATOM 794 N ASP A 54 -13.497 6.227 -0.540 1.00 0.00 N ATOM 795 CA ASP A 54 -13.495 7.544 -1.167 1.00 0.00 C ATOM 796 C ASP A 54 -13.589 8.646 -0.116 1.00 0.00 C ATOM 797 O ASP A 54 -14.486 8.641 0.725 1.00 0.00 O ATOM 798 CB ASP A 54 -14.657 7.664 -2.154 1.00 0.00 C ATOM 799 CG ASP A 54 -15.976 7.950 -1.464 1.00 0.00 C ATOM 800 OD1 ASP A 54 -16.557 7.011 -0.881 1.00 0.00 O ATOM 801 OD2 ASP A 54 -16.427 9.114 -1.507 1.00 0.00 O ATOM 0 H ASP A 54 -14.303 5.648 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.556 7.661 -1.707 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.443 8.460 -2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.742 6.739 -2.725 1.00 0.00 H new ATOM 806 N GLY A 55 -12.654 9.590 -0.170 1.00 0.00 N ATOM 807 CA GLY A 55 -12.648 10.684 0.783 1.00 0.00 C ATOM 808 C GLY A 55 -11.770 10.401 1.986 1.00 0.00 C ATOM 809 O GLY A 55 -11.968 10.978 3.055 1.00 0.00 O ATOM 0 H GLY A 55 -11.901 9.616 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.300 11.591 0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.667 10.875 1.118 1.00 0.00 H new ATOM 813 N GLN A 56 -10.800 9.509 1.812 1.00 0.00 N ATOM 814 CA GLN A 56 -9.891 9.149 2.894 1.00 0.00 C ATOM 815 C GLN A 56 -8.502 9.731 2.654 1.00 0.00 C ATOM 816 O GLN A 56 -7.875 9.462 1.630 1.00 0.00 O ATOM 817 CB GLN A 56 -9.804 7.628 3.030 1.00 0.00 C ATOM 818 CG GLN A 56 -9.041 7.170 4.263 1.00 0.00 C ATOM 819 CD GLN A 56 -9.037 5.662 4.419 1.00 0.00 C ATOM 820 OE1 GLN A 56 -9.942 5.087 5.024 1.00 0.00 O ATOM 821 NE2 GLN A 56 -8.015 5.013 3.874 1.00 0.00 N ATOM 0 H GLN A 56 -10.623 9.023 0.933 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.285 9.567 3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.813 7.216 3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.322 7.219 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.013 7.528 4.204 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.485 7.622 5.150 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.287 5.530 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.958 3.997 3.948 1.00 0.00 H new ATOM 830 N GLU A 57 -8.028 10.529 3.605 1.00 0.00 N ATOM 831 CA GLU A 57 -6.713 11.150 3.495 1.00 0.00 C ATOM 832 C GLU A 57 -5.623 10.092 3.345 1.00 0.00 C ATOM 833 O GLU A 57 -5.089 9.590 4.335 1.00 0.00 O ATOM 834 CB GLU A 57 -6.430 12.019 4.722 1.00 0.00 C ATOM 835 CG GLU A 57 -5.082 12.718 4.675 1.00 0.00 C ATOM 836 CD GLU A 57 -5.046 13.973 5.526 1.00 0.00 C ATOM 837 OE1 GLU A 57 -4.768 13.859 6.738 1.00 0.00 O ATOM 838 OE2 GLU A 57 -5.296 15.068 4.980 1.00 0.00 O ATOM 0 H GLU A 57 -8.534 10.761 4.460 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.710 11.779 2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.216 12.769 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.476 11.397 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.308 12.030 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.847 12.977 3.643 1.00 0.00 H new ATOM 845 N LEU A 58 -5.299 9.757 2.101 1.00 0.00 N ATOM 846 CA LEU A 58 -4.273 8.759 1.820 1.00 0.00 C ATOM 847 C LEU A 58 -2.901 9.245 2.275 1.00 0.00 C ATOM 848 O LEU A 58 -2.447 10.317 1.874 1.00 0.00 O ATOM 849 CB LEU A 58 -4.243 8.437 0.325 1.00 0.00 C ATOM 850 CG LEU A 58 -5.587 8.081 -0.312 1.00 0.00 C ATOM 851 CD1 LEU A 58 -5.602 8.475 -1.781 1.00 0.00 C ATOM 852 CD2 LEU A 58 -5.876 6.596 -0.153 1.00 0.00 C ATOM 0 H LEU A 58 -5.732 10.162 1.271 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.520 7.854 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.830 9.296 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.557 7.605 0.167 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.370 8.640 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.566 8.214 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.441 9.549 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.809 7.944 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.836 6.361 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.090 6.018 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.909 6.343 0.907 1.00 0.00 H new ATOM 864 N ASP A 59 -2.244 8.449 3.111 1.00 0.00 N ATOM 865 CA ASP A 59 -0.921 8.796 3.618 1.00 0.00 C ATOM 866 C ASP A 59 0.071 7.666 3.365 1.00 0.00 C ATOM 867 O ASP A 59 1.274 7.825 3.574 1.00 0.00 O ATOM 868 CB ASP A 59 -0.990 9.106 5.114 1.00 0.00 C ATOM 869 CG ASP A 59 0.381 9.310 5.727 1.00 0.00 C ATOM 870 OD1 ASP A 59 0.910 10.438 5.635 1.00 0.00 O ATOM 871 OD2 ASP A 59 0.927 8.342 6.297 1.00 0.00 O ATOM 0 H ASP A 59 -2.606 7.559 3.452 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.576 9.683 3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.591 10.002 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.497 8.289 5.628 1.00 0.00 H new ATOM 876 N SER A 60 -0.440 6.525 2.914 1.00 0.00 N ATOM 877 CA SER A 60 0.401 5.367 2.637 1.00 0.00 C ATOM 878 C SER A 60 0.219 4.895 1.197 1.00 0.00 C ATOM 879 O SER A 60 -0.896 4.878 0.675 1.00 0.00 O ATOM 880 CB SER A 60 0.072 4.228 3.604 1.00 0.00 C ATOM 881 OG SER A 60 0.149 4.664 4.950 1.00 0.00 O ATOM 0 H SER A 60 -1.433 6.378 2.733 1.00 0.00 H new ATOM 0 HA SER A 60 1.441 5.663 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.929 3.849 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.764 3.401 3.446 1.00 0.00 H new ATOM 0 HG SER A 60 -0.067 3.918 5.548 1.00 0.00 H new ATOM 887 N TRP A 61 1.321 4.514 0.563 1.00 0.00 N ATOM 888 CA TRP A 61 1.284 4.042 -0.817 1.00 0.00 C ATOM 889 C TRP A 61 1.113 2.528 -0.870 1.00 0.00 C ATOM 890 O TRP A 61 1.954 1.781 -0.368 1.00 0.00 O ATOM 891 CB TRP A 61 2.563 4.450 -1.551 1.00 0.00 C ATOM 892 CG TRP A 61 2.610 3.971 -2.971 1.00 0.00 C ATOM 893 CD1 TRP A 61 1.600 4.024 -3.888 1.00 0.00 C ATOM 894 CD2 TRP A 61 3.725 3.365 -3.634 1.00 0.00 C ATOM 895 NE1 TRP A 61 2.020 3.488 -5.081 1.00 0.00 N ATOM 896 CE2 TRP A 61 3.320 3.077 -4.952 1.00 0.00 C ATOM 897 CE3 TRP A 61 5.027 3.040 -3.243 1.00 0.00 C ATOM 898 CZ2 TRP A 61 4.170 2.479 -5.878 1.00 0.00 C ATOM 899 CZ3 TRP A 61 5.870 2.446 -4.164 1.00 0.00 C ATOM 900 CH2 TRP A 61 5.439 2.171 -5.468 1.00 0.00 C ATOM 0 H TRP A 61 2.251 4.522 0.981 1.00 0.00 H new ATOM 0 HA TRP A 61 0.428 4.502 -1.310 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.650 5.536 -1.538 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.424 4.055 -1.013 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.616 4.428 -3.703 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.455 3.409 -5.926 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.368 3.249 -2.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.840 2.266 -6.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.878 2.190 -3.873 1.00 0.00 H new ATOM 0 HH2 TRP A 61 6.122 1.707 -6.164 1.00 0.00 H new ATOM 911 N TYR A 62 0.022 2.081 -1.480 1.00 0.00 N ATOM 912 CA TYR A 62 -0.260 0.656 -1.597 1.00 0.00 C ATOM 913 C TYR A 62 0.094 0.142 -2.989 1.00 0.00 C ATOM 914 O TYR A 62 -0.051 0.856 -3.982 1.00 0.00 O ATOM 915 CB TYR A 62 -1.734 0.379 -1.298 1.00 0.00 C ATOM 916 CG TYR A 62 -2.207 0.965 0.014 1.00 0.00 C ATOM 917 CD1 TYR A 62 -2.337 2.338 0.178 1.00 0.00 C ATOM 918 CD2 TYR A 62 -2.524 0.144 1.089 1.00 0.00 C ATOM 919 CE1 TYR A 62 -2.767 2.877 1.375 1.00 0.00 C ATOM 920 CE2 TYR A 62 -2.956 0.674 2.289 1.00 0.00 C ATOM 921 CZ TYR A 62 -3.076 2.041 2.427 1.00 0.00 C ATOM 922 OH TYR A 62 -3.506 2.573 3.621 1.00 0.00 O ATOM 0 H TYR A 62 -0.683 2.686 -1.902 1.00 0.00 H new ATOM 0 HA TYR A 62 0.356 0.130 -0.868 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.342 0.783 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.897 -0.699 -1.285 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.098 2.996 -0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.431 -0.927 0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.861 3.947 1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.199 0.022 3.115 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.682 1.849 4.257 1.00 0.00 H new ATOM 932 N VAL A 63 0.557 -1.102 -3.054 1.00 0.00 N ATOM 933 CA VAL A 63 0.930 -1.714 -4.324 1.00 0.00 C ATOM 934 C VAL A 63 0.454 -3.160 -4.398 1.00 0.00 C ATOM 935 O VAL A 63 0.533 -3.901 -3.417 1.00 0.00 O ATOM 936 CB VAL A 63 2.455 -1.675 -4.539 1.00 0.00 C ATOM 937 CG1 VAL A 63 2.822 -2.300 -5.876 1.00 0.00 C ATOM 938 CG2 VAL A 63 2.969 -0.246 -4.451 1.00 0.00 C ATOM 0 H VAL A 63 0.683 -1.706 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 63 0.445 -1.135 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 63 2.930 -2.257 -3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.903 -2.263 -6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.489 -3.338 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.338 -1.748 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.048 -0.237 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.488 0.362 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.740 0.163 -3.467 1.00 0.00 H new ATOM 948 N ILE A 64 -0.039 -3.556 -5.566 1.00 0.00 N ATOM 949 CA ILE A 64 -0.526 -4.915 -5.769 1.00 0.00 C ATOM 950 C ILE A 64 0.626 -5.878 -6.035 1.00 0.00 C ATOM 951 O ILE A 64 1.411 -5.681 -6.964 1.00 0.00 O ATOM 952 CB ILE A 64 -1.523 -4.986 -6.941 1.00 0.00 C ATOM 953 CG1 ILE A 64 -2.637 -3.955 -6.755 1.00 0.00 C ATOM 954 CG2 ILE A 64 -2.104 -6.388 -7.056 1.00 0.00 C ATOM 955 CD1 ILE A 64 -3.206 -3.439 -8.058 1.00 0.00 C ATOM 0 H ILE A 64 -0.112 -2.955 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.036 -5.208 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.993 -4.756 -7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.440 -4.402 -6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.251 -3.115 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.807 -6.423 -7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.299 -7.102 -7.230 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.623 -6.644 -6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.991 -2.712 -7.850 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.415 -2.963 -8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.623 -4.270 -8.627 1.00 0.00 H new ATOM 967 N LEU A 65 0.719 -6.920 -5.217 1.00 0.00 N ATOM 968 CA LEU A 65 1.775 -7.916 -5.365 1.00 0.00 C ATOM 969 C LEU A 65 1.215 -9.225 -5.914 1.00 0.00 C ATOM 970 O LEU A 65 1.876 -9.919 -6.685 1.00 0.00 O ATOM 971 CB LEU A 65 2.460 -8.166 -4.021 1.00 0.00 C ATOM 972 CG LEU A 65 3.056 -6.936 -3.333 1.00 0.00 C ATOM 973 CD1 LEU A 65 3.578 -7.299 -1.951 1.00 0.00 C ATOM 974 CD2 LEU A 65 4.164 -6.334 -4.183 1.00 0.00 C ATOM 0 H LEU A 65 0.077 -7.098 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 65 2.508 -7.530 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.735 -8.620 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.256 -8.895 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 65 2.269 -6.190 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.998 -6.412 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.759 -7.683 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.351 -8.062 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.576 -5.460 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.952 -7.073 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.760 -6.037 -5.151 1.00 0.00 H new ATOM 986 N ASN A 66 -0.009 -9.554 -5.512 1.00 0.00 N ATOM 987 CA ASN A 66 -0.659 -10.778 -5.965 1.00 0.00 C ATOM 988 C ASN A 66 -2.177 -10.630 -5.939 1.00 0.00 C ATOM 989 O ASN A 66 -2.746 -10.130 -4.970 1.00 0.00 O ATOM 990 CB ASN A 66 -0.236 -11.959 -5.088 1.00 0.00 C ATOM 991 CG ASN A 66 -0.682 -13.291 -5.658 1.00 0.00 C ATOM 992 OD1 ASN A 66 -0.027 -13.854 -6.536 1.00 0.00 O ATOM 993 ND2 ASN A 66 -1.802 -13.802 -5.161 1.00 0.00 N ATOM 0 H ASN A 66 -0.570 -8.990 -4.874 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.348 -10.966 -6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.849 -11.958 -4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.656 -11.835 -4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.152 -14.696 -5.506 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.313 -13.301 -4.434 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.827 -11.068 -7.013 1.00 0.00 N ATOM 1001 CA GLY A 67 -4.273 -10.976 -7.094 1.00 0.00 C ATOM 1002 C GLY A 67 -4.733 -9.830 -7.974 1.00 0.00 C ATOM 1003 O GLY A 67 -3.929 -9.215 -8.675 1.00 0.00 O ATOM 0 H GLY A 67 -2.378 -11.485 -7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.672 -11.912 -7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.682 -10.848 -6.092 1.00 0.00 H new ATOM 1007 N THR A 68 -6.030 -9.543 -7.939 1.00 0.00 N ATOM 1008 CA THR A 68 -6.596 -8.466 -8.741 1.00 0.00 C ATOM 1009 C THR A 68 -7.515 -7.582 -7.905 1.00 0.00 C ATOM 1010 O THR A 68 -8.357 -8.078 -7.157 1.00 0.00 O ATOM 1011 CB THR A 68 -7.386 -9.016 -9.943 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.523 -9.787 -10.786 1.00 0.00 O ATOM 1013 CG2 THR A 68 -8.009 -7.884 -10.746 1.00 0.00 C ATOM 0 H THR A 68 -6.709 -10.042 -7.364 1.00 0.00 H new ATOM 0 HA THR A 68 -5.759 -7.872 -9.107 1.00 0.00 H new ATOM 0 HB THR A 68 -8.185 -9.653 -9.563 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.034 -10.134 -11.547 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.562 -8.298 -11.590 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.689 -7.318 -10.109 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.224 -7.225 -11.115 1.00 0.00 H new ATOM 1021 N VAL A 69 -7.348 -6.270 -8.038 1.00 0.00 N ATOM 1022 CA VAL A 69 -8.164 -5.316 -7.296 1.00 0.00 C ATOM 1023 C VAL A 69 -9.067 -4.521 -8.231 1.00 0.00 C ATOM 1024 O VAL A 69 -8.663 -4.151 -9.333 1.00 0.00 O ATOM 1025 CB VAL A 69 -7.289 -4.338 -6.489 1.00 0.00 C ATOM 1026 CG1 VAL A 69 -6.551 -5.071 -5.380 1.00 0.00 C ATOM 1027 CG2 VAL A 69 -6.312 -3.618 -7.406 1.00 0.00 C ATOM 0 H VAL A 69 -6.655 -5.843 -8.653 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.780 -5.894 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.937 -3.592 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.938 -4.364 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.273 -5.536 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.912 -5.840 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.702 -2.931 -6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.668 -4.348 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.866 -3.058 -8.160 1.00 0.00 H new ATOM 1037 N GLU A 70 -10.292 -4.262 -7.783 1.00 0.00 N ATOM 1038 CA GLU A 70 -11.253 -3.510 -8.582 1.00 0.00 C ATOM 1039 C GLU A 70 -11.624 -2.199 -7.894 1.00 0.00 C ATOM 1040 O GLU A 70 -11.918 -2.175 -6.699 1.00 0.00 O ATOM 1041 CB GLU A 70 -12.511 -4.345 -8.825 1.00 0.00 C ATOM 1042 CG GLU A 70 -13.525 -3.669 -9.733 1.00 0.00 C ATOM 1043 CD GLU A 70 -14.610 -4.617 -10.204 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.522 -4.918 -9.406 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -14.547 -5.059 -11.370 1.00 0.00 O ATOM 0 H GLU A 70 -10.642 -4.561 -6.873 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.789 -3.279 -9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.223 -5.300 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.983 -4.563 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.983 -2.834 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.011 -3.253 -10.599 1.00 0.00 H new ATOM 1052 N ILE A 71 -11.607 -1.112 -8.658 1.00 0.00 N ATOM 1053 CA ILE A 71 -11.942 0.202 -8.123 1.00 0.00 C ATOM 1054 C ILE A 71 -13.260 0.710 -8.698 1.00 0.00 C ATOM 1055 O ILE A 71 -13.498 0.624 -9.902 1.00 0.00 O ATOM 1056 CB ILE A 71 -10.835 1.230 -8.421 1.00 0.00 C ATOM 1057 CG1 ILE A 71 -9.468 0.670 -8.025 1.00 0.00 C ATOM 1058 CG2 ILE A 71 -11.112 2.534 -7.688 1.00 0.00 C ATOM 1059 CD1 ILE A 71 -8.308 1.534 -8.470 1.00 0.00 C ATOM 0 H ILE A 71 -11.365 -1.115 -9.649 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.039 0.088 -7.043 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.827 1.432 -9.492 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.431 0.556 -6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.354 -0.326 -8.454 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.321 3.251 -7.909 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.070 2.939 -8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.144 2.348 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.371 1.075 -8.155 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.319 1.627 -9.556 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.397 2.523 -8.020 1.00 0.00 H new ATOM 1071 N SER A 72 -14.114 1.239 -7.827 1.00 0.00 N ATOM 1072 CA SER A 72 -15.410 1.760 -8.248 1.00 0.00 C ATOM 1073 C SER A 72 -15.517 3.253 -7.953 1.00 0.00 C ATOM 1074 O SER A 72 -15.068 3.725 -6.908 1.00 0.00 O ATOM 1075 CB SER A 72 -16.539 1.007 -7.541 1.00 0.00 C ATOM 1076 OG SER A 72 -16.816 -0.222 -8.190 1.00 0.00 O ATOM 0 H SER A 72 -13.932 1.318 -6.826 1.00 0.00 H new ATOM 0 HA SER A 72 -15.502 1.612 -9.324 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.262 0.820 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.437 1.624 -7.525 1.00 0.00 H new ATOM 0 HG SER A 72 -17.540 -0.685 -7.718 1.00 0.00 H new ATOM 1082 N HIS A 73 -16.116 3.991 -8.882 1.00 0.00 N ATOM 1083 CA HIS A 73 -16.284 5.431 -8.723 1.00 0.00 C ATOM 1084 C HIS A 73 -17.756 5.790 -8.543 1.00 0.00 C ATOM 1085 O HIS A 73 -18.650 5.133 -9.077 1.00 0.00 O ATOM 1086 CB HIS A 73 -15.711 6.170 -9.933 1.00 0.00 C ATOM 1087 CG HIS A 73 -14.224 6.044 -10.062 1.00 0.00 C ATOM 1088 ND1 HIS A 73 -13.341 6.931 -9.484 1.00 0.00 N ATOM 1089 CD2 HIS A 73 -13.465 5.128 -10.707 1.00 0.00 C ATOM 1090 CE1 HIS A 73 -12.103 6.567 -9.769 1.00 0.00 C ATOM 1091 NE2 HIS A 73 -12.151 5.475 -10.510 1.00 0.00 N ATOM 0 H HIS A 73 -16.493 3.616 -9.752 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.741 5.738 -7.829 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -16.180 5.786 -10.839 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.973 7.226 -9.862 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -13.603 7.742 -8.924 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.826 4.281 -11.272 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -11.205 7.076 -9.450 1.00 0.00 H new ATOM 1100 N PRO A 74 -18.015 6.858 -7.774 1.00 0.00 N ATOM 1101 CA PRO A 74 -19.378 7.328 -7.506 1.00 0.00 C ATOM 1102 C PRO A 74 -20.034 7.936 -8.740 1.00 0.00 C ATOM 1103 O PRO A 74 -21.256 8.076 -8.800 1.00 0.00 O ATOM 1104 CB PRO A 74 -19.179 8.394 -6.426 1.00 0.00 C ATOM 1105 CG PRO A 74 -17.783 8.876 -6.621 1.00 0.00 C ATOM 1106 CD PRO A 74 -16.999 7.688 -7.106 1.00 0.00 C ATOM 0 HA PRO A 74 -20.038 6.515 -7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -19.897 9.207 -6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.318 7.977 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -17.749 9.689 -7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -17.370 9.262 -5.689 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -16.206 7.983 -7.793 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.524 7.156 -6.281 1.00 0.00 H new ATOM 1114 N ASP A 75 -19.216 8.294 -9.724 1.00 0.00 N ATOM 1115 CA ASP A 75 -19.719 8.886 -10.958 1.00 0.00 C ATOM 1116 C ASP A 75 -20.344 7.823 -11.855 1.00 0.00 C ATOM 1117 O ASP A 75 -21.462 7.986 -12.342 1.00 0.00 O ATOM 1118 CB ASP A 75 -18.589 9.599 -11.703 1.00 0.00 C ATOM 1119 CG ASP A 75 -18.418 11.038 -11.257 1.00 0.00 C ATOM 1120 OD1 ASP A 75 -19.419 11.785 -11.265 1.00 0.00 O ATOM 1121 OD2 ASP A 75 -17.284 11.417 -10.897 1.00 0.00 O ATOM 0 H ASP A 75 -18.202 8.185 -9.691 1.00 0.00 H new ATOM 0 HA ASP A 75 -20.488 9.613 -10.697 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.656 9.059 -11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.792 9.575 -12.774 1.00 0.00 H new ATOM 1126 N GLY A 76 -19.614 6.733 -12.071 1.00 0.00 N ATOM 1127 CA GLY A 76 -20.114 5.659 -12.910 1.00 0.00 C ATOM 1128 C GLY A 76 -19.007 4.951 -13.666 1.00 0.00 C ATOM 1129 O GLY A 76 -19.202 4.509 -14.798 1.00 0.00 O ATOM 0 H GLY A 76 -18.685 6.574 -11.680 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.647 4.937 -12.291 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.835 6.063 -13.621 1.00 0.00 H new ATOM 1133 N LYS A 77 -17.840 4.844 -13.040 1.00 0.00 N ATOM 1134 CA LYS A 77 -16.696 4.186 -13.659 1.00 0.00 C ATOM 1135 C LYS A 77 -16.118 3.117 -12.738 1.00 0.00 C ATOM 1136 O LYS A 77 -16.142 3.258 -11.515 1.00 0.00 O ATOM 1137 CB LYS A 77 -15.616 5.213 -14.006 1.00 0.00 C ATOM 1138 CG LYS A 77 -14.534 4.672 -14.925 1.00 0.00 C ATOM 1139 CD LYS A 77 -13.912 5.776 -15.764 1.00 0.00 C ATOM 1140 CE LYS A 77 -14.774 6.110 -16.972 1.00 0.00 C ATOM 1141 NZ LYS A 77 -13.960 6.621 -18.110 1.00 0.00 N ATOM 0 H LYS A 77 -17.662 5.205 -12.103 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.039 3.705 -14.575 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.085 6.075 -14.480 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.154 5.568 -13.084 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.760 4.186 -14.331 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.959 3.911 -15.580 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.779 6.668 -15.152 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.921 5.467 -16.097 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.319 5.220 -17.286 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.517 6.857 -16.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.584 6.837 -18.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.459 7.485 -17.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.268 5.899 -18.394 1.00 0.00 H new ATOM 1155 N VAL A 78 -15.599 2.047 -13.332 1.00 0.00 N ATOM 1156 CA VAL A 78 -15.013 0.955 -12.564 1.00 0.00 C ATOM 1157 C VAL A 78 -13.671 0.530 -13.150 1.00 0.00 C ATOM 1158 O VAL A 78 -13.618 -0.185 -14.150 1.00 0.00 O ATOM 1159 CB VAL A 78 -15.951 -0.266 -12.519 1.00 0.00 C ATOM 1160 CG1 VAL A 78 -15.271 -1.437 -11.827 1.00 0.00 C ATOM 1161 CG2 VAL A 78 -17.256 0.090 -11.823 1.00 0.00 C ATOM 0 H VAL A 78 -15.573 1.913 -14.343 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.863 1.326 -11.550 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.181 -0.563 -13.542 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.949 -2.290 -11.805 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.366 -1.706 -12.372 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.009 -1.155 -10.807 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -17.907 -0.784 -11.800 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -17.048 0.414 -10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.750 0.896 -12.366 1.00 0.00 H new ATOM 1171 N GLU A 79 -12.589 0.974 -12.518 1.00 0.00 N ATOM 1172 CA GLU A 79 -11.246 0.639 -12.978 1.00 0.00 C ATOM 1173 C GLU A 79 -10.876 -0.788 -12.582 1.00 0.00 C ATOM 1174 O GLU A 79 -11.467 -1.363 -11.670 1.00 0.00 O ATOM 1175 CB GLU A 79 -10.226 1.621 -12.399 1.00 0.00 C ATOM 1176 CG GLU A 79 -9.997 2.845 -13.270 1.00 0.00 C ATOM 1177 CD GLU A 79 -9.801 2.492 -14.732 1.00 0.00 C ATOM 1178 OE1 GLU A 79 -8.648 2.217 -15.127 1.00 0.00 O ATOM 1179 OE2 GLU A 79 -10.800 2.492 -15.481 1.00 0.00 O ATOM 0 H GLU A 79 -12.616 1.566 -11.687 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.233 0.711 -14.066 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.564 1.944 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.277 1.104 -12.257 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.848 3.519 -13.174 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.121 3.384 -12.910 1.00 0.00 H new ATOM 1186 N ASN A 80 -9.893 -1.352 -13.277 1.00 0.00 N ATOM 1187 CA ASN A 80 -9.444 -2.711 -13.000 1.00 0.00 C ATOM 1188 C ASN A 80 -7.925 -2.814 -13.103 1.00 0.00 C ATOM 1189 O ASN A 80 -7.363 -2.787 -14.199 1.00 0.00 O ATOM 1190 CB ASN A 80 -10.100 -3.695 -13.971 1.00 0.00 C ATOM 1191 CG ASN A 80 -11.477 -3.239 -14.414 1.00 0.00 C ATOM 1192 OD1 ASN A 80 -12.424 -3.234 -13.627 1.00 0.00 O ATOM 1193 ND2 ASN A 80 -11.593 -2.853 -15.679 1.00 0.00 N ATOM 0 H ASN A 80 -9.393 -0.889 -14.036 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.739 -2.964 -11.982 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.462 -3.818 -14.846 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.180 -4.672 -13.495 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.495 -2.535 -16.035 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.780 -2.874 -16.295 1.00 0.00 H new ATOM 1200 N LEU A 81 -7.266 -2.933 -11.956 1.00 0.00 N ATOM 1201 CA LEU A 81 -5.812 -3.041 -11.917 1.00 0.00 C ATOM 1202 C LEU A 81 -5.378 -4.493 -11.746 1.00 0.00 C ATOM 1203 O LEU A 81 -6.114 -5.310 -11.192 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.249 -2.190 -10.776 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.643 -0.713 -10.783 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.477 -0.111 -9.396 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -4.816 0.056 -11.802 1.00 0.00 C ATOM 0 H LEU A 81 -7.715 -2.957 -11.041 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.419 -2.674 -12.865 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.571 -2.627 -9.831 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.161 -2.255 -10.803 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.693 -0.638 -11.067 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.762 0.941 -9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.114 -0.644 -8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.436 -0.198 -9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.111 1.105 -11.792 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.759 -0.026 -11.549 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.985 -0.359 -12.796 1.00 0.00 H new ATOM 1219 N PHE A 82 -4.178 -4.807 -12.223 1.00 0.00 N ATOM 1220 CA PHE A 82 -3.645 -6.160 -12.122 1.00 0.00 C ATOM 1221 C PHE A 82 -2.246 -6.150 -11.514 1.00 0.00 C ATOM 1222 O PHE A 82 -1.614 -5.100 -11.402 1.00 0.00 O ATOM 1223 CB PHE A 82 -3.609 -6.821 -13.501 1.00 0.00 C ATOM 1224 CG PHE A 82 -4.858 -6.598 -14.306 1.00 0.00 C ATOM 1225 CD1 PHE A 82 -6.042 -7.229 -13.961 1.00 0.00 C ATOM 1226 CD2 PHE A 82 -4.847 -5.756 -15.406 1.00 0.00 C ATOM 1227 CE1 PHE A 82 -7.192 -7.026 -14.700 1.00 0.00 C ATOM 1228 CE2 PHE A 82 -5.994 -5.548 -16.149 1.00 0.00 C ATOM 1229 CZ PHE A 82 -7.169 -6.183 -15.795 1.00 0.00 C ATOM 0 H PHE A 82 -3.556 -4.142 -12.683 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.302 -6.734 -11.468 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.754 -6.436 -14.057 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.453 -7.893 -13.377 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.067 -7.887 -13.105 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.932 -5.256 -15.686 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -8.108 -7.526 -14.422 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.972 -4.890 -17.005 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.067 -6.021 -16.372 1.00 0.00 H new ATOM 1239 N MET A 83 -1.769 -7.327 -11.122 1.00 0.00 N ATOM 1240 CA MET A 83 -0.444 -7.454 -10.525 1.00 0.00 C ATOM 1241 C MET A 83 0.560 -6.549 -11.233 1.00 0.00 C ATOM 1242 O MET A 83 0.927 -6.792 -12.381 1.00 0.00 O ATOM 1243 CB MET A 83 0.030 -8.907 -10.588 1.00 0.00 C ATOM 1244 CG MET A 83 1.431 -9.113 -10.037 1.00 0.00 C ATOM 1245 SD MET A 83 1.987 -10.823 -10.174 1.00 0.00 S ATOM 1246 CE MET A 83 3.707 -10.659 -9.703 1.00 0.00 C ATOM 0 H MET A 83 -2.280 -8.206 -11.207 1.00 0.00 H new ATOM 0 HA MET A 83 -0.512 -7.146 -9.482 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.667 -9.532 -10.030 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.002 -9.245 -11.624 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.126 -8.465 -10.571 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.454 -8.810 -8.990 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.210 -11.618 -9.824 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.188 -9.914 -10.337 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.771 -10.345 -8.661 1.00 0.00 H new ATOM 1256 N GLY A 84 0.999 -5.503 -10.539 1.00 0.00 N ATOM 1257 CA GLY A 84 1.955 -4.577 -11.118 1.00 0.00 C ATOM 1258 C GLY A 84 1.586 -3.129 -10.866 1.00 0.00 C ATOM 1259 O GLY A 84 2.460 -2.280 -10.696 1.00 0.00 O ATOM 0 H GLY A 84 0.710 -5.281 -9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.944 -4.774 -10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.019 -4.751 -12.192 1.00 0.00 H new ATOM 1263 N ASN A 85 0.288 -2.846 -10.843 1.00 0.00 N ATOM 1264 CA ASN A 85 -0.195 -1.490 -10.612 1.00 0.00 C ATOM 1265 C ASN A 85 -0.050 -1.103 -9.143 1.00 0.00 C ATOM 1266 O ASN A 85 0.252 -1.944 -8.297 1.00 0.00 O ATOM 1267 CB ASN A 85 -1.659 -1.367 -11.041 1.00 0.00 C ATOM 1268 CG ASN A 85 -2.091 0.076 -11.217 1.00 0.00 C ATOM 1269 OD1 ASN A 85 -2.361 0.751 -10.106 1.00 0.00 O flip ATOM 1270 ND2 ASN A 85 -2.180 0.577 -12.337 1.00 0.00 N flip ATOM 0 H ASN A 85 -0.448 -3.538 -10.982 1.00 0.00 H new ATOM 0 HA ASN A 85 0.411 -0.809 -11.210 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.807 -1.904 -11.978 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.295 -1.845 -10.296 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.962 0.020 -13.163 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.471 1.549 -12.439 1.00 0.00 H new ATOM 1277 N SER A 86 -0.268 0.175 -8.849 1.00 0.00 N ATOM 1278 CA SER A 86 -0.158 0.674 -7.484 1.00 0.00 C ATOM 1279 C SER A 86 -1.178 1.779 -7.226 1.00 0.00 C ATOM 1280 O SER A 86 -1.503 2.561 -8.120 1.00 0.00 O ATOM 1281 CB SER A 86 1.255 1.198 -7.221 1.00 0.00 C ATOM 1282 OG SER A 86 2.212 0.486 -7.986 1.00 0.00 O ATOM 0 H SER A 86 -0.522 0.883 -9.538 1.00 0.00 H new ATOM 0 HA SER A 86 -0.363 -0.153 -6.804 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.305 2.259 -7.466 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.490 1.105 -6.161 1.00 0.00 H new ATOM 0 HG SER A 86 2.942 0.189 -7.403 1.00 0.00 H new ATOM 1288 N PHE A 87 -1.680 1.838 -5.997 1.00 0.00 N ATOM 1289 CA PHE A 87 -2.664 2.846 -5.620 1.00 0.00 C ATOM 1290 C PHE A 87 -2.419 3.341 -4.198 1.00 0.00 C ATOM 1291 O PHE A 87 -1.892 2.613 -3.358 1.00 0.00 O ATOM 1292 CB PHE A 87 -4.080 2.276 -5.737 1.00 0.00 C ATOM 1293 CG PHE A 87 -4.291 1.027 -4.930 1.00 0.00 C ATOM 1294 CD1 PHE A 87 -4.343 1.080 -3.546 1.00 0.00 C ATOM 1295 CD2 PHE A 87 -4.439 -0.201 -5.555 1.00 0.00 C ATOM 1296 CE1 PHE A 87 -4.537 -0.068 -2.802 1.00 0.00 C ATOM 1297 CE2 PHE A 87 -4.633 -1.352 -4.816 1.00 0.00 C ATOM 1298 CZ PHE A 87 -4.683 -1.285 -3.437 1.00 0.00 C ATOM 0 H PHE A 87 -1.421 1.199 -5.245 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.562 3.690 -6.302 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.796 3.033 -5.415 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.292 2.062 -6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.231 2.029 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.402 -0.259 -6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.574 -0.013 -1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.745 -2.303 -5.316 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.836 -2.183 -2.857 1.00 0.00 H new ATOM 1308 N GLY A 88 -2.804 4.586 -3.936 1.00 0.00 N ATOM 1309 CA GLY A 88 -2.617 5.159 -2.616 1.00 0.00 C ATOM 1310 C GLY A 88 -2.187 6.611 -2.669 1.00 0.00 C ATOM 1311 O GLY A 88 -2.961 7.479 -3.075 1.00 0.00 O ATOM 0 H GLY A 88 -3.242 5.208 -4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.547 5.079 -2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.867 4.581 -2.075 1.00 0.00 H new ATOM 1315 N ILE A 89 -0.952 6.877 -2.257 1.00 0.00 N ATOM 1316 CA ILE A 89 -0.423 8.235 -2.260 1.00 0.00 C ATOM 1317 C ILE A 89 0.741 8.370 -3.236 1.00 0.00 C ATOM 1318 O ILE A 89 1.071 7.429 -3.960 1.00 0.00 O ATOM 1319 CB ILE A 89 0.049 8.658 -0.856 1.00 0.00 C ATOM 1320 CG1 ILE A 89 1.253 7.818 -0.424 1.00 0.00 C ATOM 1321 CG2 ILE A 89 -1.086 8.521 0.148 1.00 0.00 C ATOM 1322 CD1 ILE A 89 2.174 8.533 0.540 1.00 0.00 C ATOM 0 H ILE A 89 -0.300 6.170 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.236 8.889 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 89 0.353 9.704 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.896 6.899 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.820 7.529 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.737 8.824 1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.918 9.158 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.418 7.483 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.005 7.878 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.560 9.438 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.622 8.799 1.442 1.00 0.00 H new ATOM 1334 N THR A 90 1.361 9.545 -3.251 1.00 0.00 N ATOM 1335 CA THR A 90 2.488 9.804 -4.138 1.00 0.00 C ATOM 1336 C THR A 90 3.784 9.954 -3.350 1.00 0.00 C ATOM 1337 O THR A 90 3.781 10.217 -2.148 1.00 0.00 O ATOM 1338 CB THR A 90 2.262 11.074 -4.979 1.00 0.00 C ATOM 1339 OG1 THR A 90 1.452 12.005 -4.252 1.00 0.00 O ATOM 1340 CG2 THR A 90 1.590 10.735 -6.302 1.00 0.00 C ATOM 0 H THR A 90 1.101 10.333 -2.658 1.00 0.00 H new ATOM 0 HA THR A 90 2.568 8.946 -4.805 1.00 0.00 H new ATOM 0 HB THR A 90 3.233 11.523 -5.187 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.314 12.811 -4.793 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.441 11.648 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.222 10.049 -6.866 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.625 10.265 -6.110 1.00 0.00 H new ATOM 1348 N PRO A 91 4.921 9.784 -4.042 1.00 0.00 N ATOM 1349 CA PRO A 91 6.247 9.898 -3.426 1.00 0.00 C ATOM 1350 C PRO A 91 6.583 11.333 -3.035 1.00 0.00 C ATOM 1351 O PRO A 91 7.664 11.608 -2.514 1.00 0.00 O ATOM 1352 CB PRO A 91 7.192 9.407 -4.526 1.00 0.00 C ATOM 1353 CG PRO A 91 6.457 9.660 -5.797 1.00 0.00 C ATOM 1354 CD PRO A 91 5.000 9.469 -5.478 1.00 0.00 C ATOM 0 HA PRO A 91 6.317 9.328 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.140 9.945 -4.503 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.423 8.349 -4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.647 10.669 -6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.779 8.971 -6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.369 10.132 -6.070 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.674 8.450 -5.684 1.00 0.00 H new ATOM 1362 N THR A 92 5.651 12.245 -3.290 1.00 0.00 N ATOM 1363 CA THR A 92 5.849 13.652 -2.966 1.00 0.00 C ATOM 1364 C THR A 92 5.209 14.003 -1.627 1.00 0.00 C ATOM 1365 O THR A 92 4.050 13.670 -1.375 1.00 0.00 O ATOM 1366 CB THR A 92 5.264 14.568 -4.057 1.00 0.00 C ATOM 1367 OG1 THR A 92 3.882 14.259 -4.268 1.00 0.00 O ATOM 1368 CG2 THR A 92 6.029 14.411 -5.363 1.00 0.00 C ATOM 0 H THR A 92 4.751 12.034 -3.720 1.00 0.00 H new ATOM 0 HA THR A 92 6.925 13.814 -2.905 1.00 0.00 H new ATOM 0 HB THR A 92 5.357 15.601 -3.721 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.507 13.864 -3.453 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.598 15.068 -6.119 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.075 14.676 -5.206 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.963 13.377 -5.701 1.00 0.00 H new ATOM 1376 N LEU A 93 5.970 14.677 -0.772 1.00 0.00 N ATOM 1377 CA LEU A 93 5.476 15.074 0.542 1.00 0.00 C ATOM 1378 C LEU A 93 4.011 15.493 0.470 1.00 0.00 C ATOM 1379 O LEU A 93 3.261 15.330 1.432 1.00 0.00 O ATOM 1380 CB LEU A 93 6.320 16.222 1.100 1.00 0.00 C ATOM 1381 CG LEU A 93 7.632 15.824 1.775 1.00 0.00 C ATOM 1382 CD1 LEU A 93 8.409 17.060 2.202 1.00 0.00 C ATOM 1383 CD2 LEU A 93 7.365 14.921 2.970 1.00 0.00 C ATOM 0 H LEU A 93 6.931 14.960 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 93 5.556 14.215 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.548 16.908 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.716 16.773 1.821 1.00 0.00 H new ATOM 0 HG LEU A 93 8.235 15.271 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.340 16.757 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.633 17.670 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.812 17.640 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.311 14.648 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.742 15.448 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.851 14.019 2.637 1.00 0.00 H new ATOM 1395 N ASP A 94 3.611 16.031 -0.677 1.00 0.00 N ATOM 1396 CA ASP A 94 2.235 16.470 -0.876 1.00 0.00 C ATOM 1397 C ASP A 94 1.251 15.388 -0.442 1.00 0.00 C ATOM 1398 O ASP A 94 1.553 14.196 -0.507 1.00 0.00 O ATOM 1399 CB ASP A 94 2.000 16.831 -2.344 1.00 0.00 C ATOM 1400 CG ASP A 94 2.302 18.287 -2.638 1.00 0.00 C ATOM 1401 OD1 ASP A 94 1.546 19.159 -2.159 1.00 0.00 O ATOM 1402 OD2 ASP A 94 3.294 18.556 -3.346 1.00 0.00 O ATOM 0 H ASP A 94 4.220 16.173 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 94 2.069 17.354 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.625 16.199 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.964 16.618 -2.606 1.00 0.00 H new ATOM 1407 N LYS A 95 0.072 15.811 0.003 1.00 0.00 N ATOM 1408 CA LYS A 95 -0.957 14.880 0.448 1.00 0.00 C ATOM 1409 C LYS A 95 -1.861 14.472 -0.711 1.00 0.00 C ATOM 1410 O LYS A 95 -1.727 14.984 -1.822 1.00 0.00 O ATOM 1411 CB LYS A 95 -1.794 15.509 1.564 1.00 0.00 C ATOM 1412 CG LYS A 95 -1.215 15.298 2.952 1.00 0.00 C ATOM 1413 CD LYS A 95 -0.225 16.391 3.316 1.00 0.00 C ATOM 1414 CE LYS A 95 -0.920 17.577 3.968 1.00 0.00 C ATOM 1415 NZ LYS A 95 -0.172 18.846 3.751 1.00 0.00 N ATOM 0 H LYS A 95 -0.194 16.794 0.065 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.462 13.987 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.888 16.579 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.800 15.091 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.022 15.278 3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.720 14.328 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.528 15.990 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.299 16.723 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.927 17.675 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.023 17.394 5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.678 19.630 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.781 18.762 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.096 19.034 2.731 1.00 0.00 H new ATOM 1429 N GLN A 96 -2.779 13.550 -0.443 1.00 0.00 N ATOM 1430 CA GLN A 96 -3.705 13.075 -1.465 1.00 0.00 C ATOM 1431 C GLN A 96 -5.028 12.642 -0.842 1.00 0.00 C ATOM 1432 O GLN A 96 -5.124 12.461 0.372 1.00 0.00 O ATOM 1433 CB GLN A 96 -3.087 11.910 -2.241 1.00 0.00 C ATOM 1434 CG GLN A 96 -1.616 12.110 -2.570 1.00 0.00 C ATOM 1435 CD GLN A 96 -0.719 11.941 -1.360 1.00 0.00 C ATOM 1436 OE1 GLN A 96 -1.185 11.608 -0.269 1.00 0.00 O ATOM 1437 NE2 GLN A 96 0.575 12.169 -1.546 1.00 0.00 N ATOM 0 H GLN A 96 -2.902 13.117 0.472 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.901 13.897 -2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.199 10.996 -1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.642 11.767 -3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.320 11.397 -3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.473 13.107 -2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.917 12.443 -2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.227 12.070 -0.768 1.00 0.00 H new ATOM 1446 N TYR A 97 -6.045 12.477 -1.681 1.00 0.00 N ATOM 1447 CA TYR A 97 -7.363 12.067 -1.212 1.00 0.00 C ATOM 1448 C TYR A 97 -7.987 11.049 -2.161 1.00 0.00 C ATOM 1449 O TYR A 97 -7.991 11.239 -3.377 1.00 0.00 O ATOM 1450 CB TYR A 97 -8.280 13.284 -1.078 1.00 0.00 C ATOM 1451 CG TYR A 97 -7.633 14.456 -0.375 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -7.366 14.413 0.988 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -7.286 15.606 -1.074 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -6.775 15.482 1.634 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -6.694 16.678 -0.436 1.00 0.00 C ATOM 1456 CZ TYR A 97 -6.441 16.612 0.918 1.00 0.00 C ATOM 1457 OH TYR A 97 -5.851 17.678 1.558 1.00 0.00 O ATOM 0 H TYR A 97 -5.982 12.621 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.244 11.600 -0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.600 13.599 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.177 12.994 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.625 13.529 1.552 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.483 15.662 -2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.576 15.433 2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -6.430 17.564 -0.995 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.679 18.393 0.911 1.00 0.00 H new ATOM 1467 N MET A 98 -8.514 9.968 -1.596 1.00 0.00 N ATOM 1468 CA MET A 98 -9.142 8.919 -2.391 1.00 0.00 C ATOM 1469 C MET A 98 -10.393 9.443 -3.090 1.00 0.00 C ATOM 1470 O MET A 98 -11.171 10.200 -2.508 1.00 0.00 O ATOM 1471 CB MET A 98 -9.502 7.725 -1.505 1.00 0.00 C ATOM 1472 CG MET A 98 -9.709 6.434 -2.281 1.00 0.00 C ATOM 1473 SD MET A 98 -8.280 5.992 -3.288 1.00 0.00 S ATOM 1474 CE MET A 98 -8.970 4.686 -4.301 1.00 0.00 C ATOM 0 H MET A 98 -8.519 9.795 -0.591 1.00 0.00 H new ATOM 0 HA MET A 98 -8.430 8.597 -3.151 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.710 7.575 -0.771 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.411 7.956 -0.950 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.920 5.625 -1.582 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.583 6.537 -2.924 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.230 3.897 -4.431 1.00 0.00 H new ATOM 0 HE2 MET A 98 -9.855 4.277 -3.814 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.246 5.089 -5.276 1.00 0.00 H new ATOM 1484 N HIS A 99 -10.579 9.036 -4.342 1.00 0.00 N ATOM 1485 CA HIS A 99 -11.736 9.465 -5.120 1.00 0.00 C ATOM 1486 C HIS A 99 -12.568 8.265 -5.564 1.00 0.00 C ATOM 1487 O HIS A 99 -13.178 8.281 -6.631 1.00 0.00 O ATOM 1488 CB HIS A 99 -11.286 10.268 -6.342 1.00 0.00 C ATOM 1489 CG HIS A 99 -10.902 11.679 -6.022 1.00 0.00 C ATOM 1490 ND1 HIS A 99 -11.798 12.615 -5.551 1.00 0.00 N ATOM 1491 CD2 HIS A 99 -9.708 12.312 -6.106 1.00 0.00 C ATOM 1492 CE1 HIS A 99 -11.173 13.764 -5.361 1.00 0.00 C ATOM 1493 NE2 HIS A 99 -9.903 13.606 -5.690 1.00 0.00 N ATOM 0 H HIS A 99 -9.944 8.411 -4.839 1.00 0.00 H new ATOM 0 HA HIS A 99 -12.355 10.099 -4.485 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -10.437 9.765 -6.805 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.091 10.277 -7.077 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.776 11.880 -6.438 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.623 14.676 -4.999 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -9.184 14.328 -5.643 1.00 0.00 H new ATOM 1502 N GLY A 100 -12.585 7.225 -4.735 1.00 0.00 N ATOM 1503 CA GLY A 100 -13.344 6.031 -5.060 1.00 0.00 C ATOM 1504 C GLY A 100 -13.198 4.948 -4.010 1.00 0.00 C ATOM 1505 O GLY A 100 -12.481 5.122 -3.024 1.00 0.00 O ATOM 0 H GLY A 100 -12.087 7.188 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.397 6.291 -5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.013 5.645 -6.024 1.00 0.00 H new ATOM 1509 N ILE A 101 -13.879 3.826 -4.220 1.00 0.00 N ATOM 1510 CA ILE A 101 -13.822 2.711 -3.283 1.00 0.00 C ATOM 1511 C ILE A 101 -13.159 1.493 -3.918 1.00 0.00 C ATOM 1512 O ILE A 101 -13.657 0.944 -4.901 1.00 0.00 O ATOM 1513 CB ILE A 101 -15.226 2.318 -2.789 1.00 0.00 C ATOM 1514 CG1 ILE A 101 -15.881 3.493 -2.059 1.00 0.00 C ATOM 1515 CG2 ILE A 101 -15.147 1.102 -1.879 1.00 0.00 C ATOM 1516 CD1 ILE A 101 -17.378 3.347 -1.900 1.00 0.00 C ATOM 0 H ILE A 101 -14.477 3.665 -5.031 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.227 3.044 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.840 2.062 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -15.427 3.596 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -15.670 4.413 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -16.148 0.837 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -14.717 0.264 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.520 1.332 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.774 4.216 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.843 3.275 -2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.597 2.445 -1.328 1.00 0.00 H new ATOM 1528 N VAL A 102 -12.033 1.075 -3.348 1.00 0.00 N ATOM 1529 CA VAL A 102 -11.303 -0.081 -3.857 1.00 0.00 C ATOM 1530 C VAL A 102 -11.786 -1.369 -3.199 1.00 0.00 C ATOM 1531 O VAL A 102 -12.084 -1.394 -2.005 1.00 0.00 O ATOM 1532 CB VAL A 102 -9.788 0.065 -3.623 1.00 0.00 C ATOM 1533 CG1 VAL A 102 -9.020 -0.963 -4.439 1.00 0.00 C ATOM 1534 CG2 VAL A 102 -9.331 1.476 -3.960 1.00 0.00 C ATOM 0 H VAL A 102 -11.607 1.519 -2.535 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.495 -0.130 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.581 -0.117 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.951 -0.844 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.328 -1.966 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.229 -0.817 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.258 1.562 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.550 1.689 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.857 2.190 -3.327 1.00 0.00 H new ATOM 1544 N ARG A 103 -11.861 -2.437 -3.986 1.00 0.00 N ATOM 1545 CA ARG A 103 -12.309 -3.729 -3.481 1.00 0.00 C ATOM 1546 C ARG A 103 -11.642 -4.871 -4.241 1.00 0.00 C ATOM 1547 O ARG A 103 -11.622 -4.884 -5.472 1.00 0.00 O ATOM 1548 CB ARG A 103 -13.830 -3.846 -3.595 1.00 0.00 C ATOM 1549 CG ARG A 103 -14.578 -3.226 -2.426 1.00 0.00 C ATOM 1550 CD ARG A 103 -15.974 -3.812 -2.283 1.00 0.00 C ATOM 1551 NE ARG A 103 -16.960 -3.073 -3.067 1.00 0.00 N ATOM 1552 CZ ARG A 103 -18.265 -3.320 -3.027 1.00 0.00 C ATOM 1553 NH1 ARG A 103 -18.737 -4.282 -2.246 1.00 0.00 N ATOM 1554 NH2 ARG A 103 -19.100 -2.605 -3.769 1.00 0.00 N ATOM 0 H ARG A 103 -11.617 -2.433 -4.976 1.00 0.00 H new ATOM 0 HA ARG A 103 -12.024 -3.799 -2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.155 -3.366 -4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.100 -4.899 -3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -14.017 -3.390 -1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.648 -2.148 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -15.964 -4.854 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -16.265 -3.803 -1.233 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.629 -2.327 -3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -18.098 -4.834 -1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.739 -4.470 -2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -18.741 -1.864 -4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -20.102 -2.796 -3.737 1.00 0.00 H new ATOM 1568 N THR A 104 -11.095 -5.829 -3.500 1.00 0.00 N ATOM 1569 CA THR A 104 -10.426 -6.975 -4.103 1.00 0.00 C ATOM 1570 C THR A 104 -11.382 -7.768 -4.986 1.00 0.00 C ATOM 1571 O THR A 104 -12.601 -7.677 -4.839 1.00 0.00 O ATOM 1572 CB THR A 104 -9.839 -7.912 -3.030 1.00 0.00 C ATOM 1573 OG1 THR A 104 -10.876 -8.357 -2.149 1.00 0.00 O ATOM 1574 CG2 THR A 104 -8.755 -7.207 -2.230 1.00 0.00 C ATOM 0 H THR A 104 -11.102 -5.834 -2.480 1.00 0.00 H new ATOM 0 HA THR A 104 -9.614 -6.581 -4.714 1.00 0.00 H new ATOM 0 HB THR A 104 -9.396 -8.772 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.481 -8.661 -1.305 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.356 -7.888 -1.479 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.953 -6.895 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 104 -9.178 -6.331 -1.737 1.00 0.00 H new ATOM 1582 N LYS A 105 -10.822 -8.547 -5.906 1.00 0.00 N ATOM 1583 CA LYS A 105 -11.624 -9.358 -6.813 1.00 0.00 C ATOM 1584 C LYS A 105 -11.594 -10.827 -6.401 1.00 0.00 C ATOM 1585 O LYS A 105 -12.583 -11.545 -6.552 1.00 0.00 O ATOM 1586 CB LYS A 105 -11.115 -9.210 -8.249 1.00 0.00 C ATOM 1587 CG LYS A 105 -11.676 -7.998 -8.971 1.00 0.00 C ATOM 1588 CD LYS A 105 -13.007 -8.311 -9.635 1.00 0.00 C ATOM 1589 CE LYS A 105 -12.813 -9.020 -10.966 1.00 0.00 C ATOM 1590 NZ LYS A 105 -14.099 -9.184 -11.700 1.00 0.00 N ATOM 0 H LYS A 105 -9.815 -8.633 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.654 -9.005 -6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.027 -9.143 -8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.372 -10.108 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.805 -7.179 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.964 -7.660 -9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.607 -8.935 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.563 -7.387 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.114 -8.453 -11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.366 -9.999 -10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.924 -9.671 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.758 -9.746 -11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.514 -8.249 -11.887 1.00 0.00 H new ATOM 1604 N VAL A 106 -10.454 -11.266 -5.878 1.00 0.00 N ATOM 1605 CA VAL A 106 -10.296 -12.648 -5.441 1.00 0.00 C ATOM 1606 C VAL A 106 -9.727 -12.717 -4.028 1.00 0.00 C ATOM 1607 O VAL A 106 -9.472 -11.689 -3.400 1.00 0.00 O ATOM 1608 CB VAL A 106 -9.376 -13.436 -6.392 1.00 0.00 C ATOM 1609 CG1 VAL A 106 -9.865 -13.318 -7.827 1.00 0.00 C ATOM 1610 CG2 VAL A 106 -7.940 -12.950 -6.267 1.00 0.00 C ATOM 0 H VAL A 106 -9.626 -10.685 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.289 -13.098 -5.452 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.405 -14.488 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.203 -13.881 -8.485 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.876 -13.718 -7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.867 -12.270 -8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.303 -13.517 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.891 -11.892 -6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.596 -13.092 -5.243 1.00 0.00 H new ATOM 1620 N ASP A 107 -9.530 -13.934 -3.534 1.00 0.00 N ATOM 1621 CA ASP A 107 -8.989 -14.137 -2.195 1.00 0.00 C ATOM 1622 C ASP A 107 -7.473 -14.299 -2.240 1.00 0.00 C ATOM 1623 O ASP A 107 -6.888 -14.467 -3.311 1.00 0.00 O ATOM 1624 CB ASP A 107 -9.626 -15.367 -1.545 1.00 0.00 C ATOM 1625 CG ASP A 107 -9.173 -16.662 -2.190 1.00 0.00 C ATOM 1626 OD1 ASP A 107 -8.923 -16.660 -3.414 1.00 0.00 O ATOM 1627 OD2 ASP A 107 -9.068 -17.677 -1.470 1.00 0.00 O ATOM 0 H ASP A 107 -9.737 -14.795 -4.040 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.225 -13.256 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.375 -15.385 -0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.711 -15.290 -1.614 1.00 0.00 H new ATOM 1632 N ASP A 108 -6.842 -14.245 -1.072 1.00 0.00 N ATOM 1633 CA ASP A 108 -5.393 -14.385 -0.979 1.00 0.00 C ATOM 1634 C ASP A 108 -4.689 -13.275 -1.751 1.00 0.00 C ATOM 1635 O ASP A 108 -3.777 -13.534 -2.537 1.00 0.00 O ATOM 1636 CB ASP A 108 -4.956 -15.751 -1.511 1.00 0.00 C ATOM 1637 CG ASP A 108 -3.678 -16.243 -0.863 1.00 0.00 C ATOM 1638 OD1 ASP A 108 -3.458 -15.933 0.327 1.00 0.00 O ATOM 1639 OD2 ASP A 108 -2.897 -16.939 -1.545 1.00 0.00 O ATOM 0 H ASP A 108 -7.311 -14.105 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.112 -14.306 0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.751 -16.476 -1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.812 -15.688 -2.590 1.00 0.00 H new ATOM 1644 N CYS A 109 -5.117 -12.039 -1.523 1.00 0.00 N ATOM 1645 CA CYS A 109 -4.529 -10.888 -2.199 1.00 0.00 C ATOM 1646 C CYS A 109 -3.411 -10.277 -1.360 1.00 0.00 C ATOM 1647 O CYS A 109 -3.602 -9.975 -0.182 1.00 0.00 O ATOM 1648 CB CYS A 109 -5.601 -9.836 -2.487 1.00 0.00 C ATOM 1649 SG CYS A 109 -6.654 -10.224 -3.904 1.00 0.00 S ATOM 0 H CYS A 109 -5.870 -11.808 -0.875 1.00 0.00 H new ATOM 0 HA CYS A 109 -4.104 -11.230 -3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.228 -9.720 -1.603 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.115 -8.876 -2.661 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.738 -10.812 -3.491 1.00 0.00 H new ATOM 1655 N GLN A 110 -2.246 -10.100 -1.974 1.00 0.00 N ATOM 1656 CA GLN A 110 -1.098 -9.527 -1.281 1.00 0.00 C ATOM 1657 C GLN A 110 -0.949 -8.045 -1.608 1.00 0.00 C ATOM 1658 O GLN A 110 -1.238 -7.612 -2.724 1.00 0.00 O ATOM 1659 CB GLN A 110 0.180 -10.277 -1.663 1.00 0.00 C ATOM 1660 CG GLN A 110 0.487 -11.456 -0.755 1.00 0.00 C ATOM 1661 CD GLN A 110 1.599 -12.334 -1.295 1.00 0.00 C ATOM 1662 OE1 GLN A 110 1.570 -12.750 -2.454 1.00 0.00 O ATOM 1663 NE2 GLN A 110 2.587 -12.622 -0.456 1.00 0.00 N ATOM 0 H GLN A 110 -2.072 -10.345 -2.949 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.264 -9.628 -0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.089 -10.633 -2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.020 -9.583 -1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.767 -11.087 0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.414 -12.055 -0.627 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.571 -12.256 0.496 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.362 -13.209 -0.763 1.00 0.00 H new ATOM 1672 N PHE A 111 -0.496 -7.271 -0.628 1.00 0.00 N ATOM 1673 CA PHE A 111 -0.309 -5.836 -0.811 1.00 0.00 C ATOM 1674 C PHE A 111 0.788 -5.308 0.109 1.00 0.00 C ATOM 1675 O PHE A 111 1.050 -5.875 1.170 1.00 0.00 O ATOM 1676 CB PHE A 111 -1.619 -5.092 -0.541 1.00 0.00 C ATOM 1677 CG PHE A 111 -2.775 -5.599 -1.355 1.00 0.00 C ATOM 1678 CD1 PHE A 111 -2.869 -5.307 -2.706 1.00 0.00 C ATOM 1679 CD2 PHE A 111 -3.767 -6.368 -0.768 1.00 0.00 C ATOM 1680 CE1 PHE A 111 -3.933 -5.772 -3.456 1.00 0.00 C ATOM 1681 CE2 PHE A 111 -4.833 -6.836 -1.514 1.00 0.00 C ATOM 1682 CZ PHE A 111 -4.915 -6.538 -2.860 1.00 0.00 C ATOM 0 H PHE A 111 -0.251 -7.613 0.301 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.006 -5.663 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.865 -5.178 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.475 -4.032 -0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.103 -4.710 -3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.707 -6.605 0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -3.996 -5.536 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.600 -7.434 -1.045 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.746 -6.903 -3.445 1.00 0.00 H new ATOM 1692 N VAL A 112 1.427 -4.219 -0.306 1.00 0.00 N ATOM 1693 CA VAL A 112 2.495 -3.613 0.480 1.00 0.00 C ATOM 1694 C VAL A 112 2.226 -2.133 0.725 1.00 0.00 C ATOM 1695 O VAL A 112 1.718 -1.431 -0.151 1.00 0.00 O ATOM 1696 CB VAL A 112 3.860 -3.767 -0.216 1.00 0.00 C ATOM 1697 CG1 VAL A 112 3.866 -3.035 -1.549 1.00 0.00 C ATOM 1698 CG2 VAL A 112 4.977 -3.262 0.685 1.00 0.00 C ATOM 0 H VAL A 112 1.224 -3.738 -1.182 1.00 0.00 H new ATOM 0 HA VAL A 112 2.521 -4.137 1.435 1.00 0.00 H new ATOM 0 HB VAL A 112 4.032 -4.826 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.839 -3.155 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.092 -3.449 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.672 -1.975 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.935 -3.378 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.813 -2.209 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.985 -3.837 1.611 1.00 0.00 H new ATOM 1708 N CYS A 113 2.569 -1.664 1.919 1.00 0.00 N ATOM 1709 CA CYS A 113 2.364 -0.266 2.280 1.00 0.00 C ATOM 1710 C CYS A 113 3.689 0.404 2.632 1.00 0.00 C ATOM 1711 O CYS A 113 4.570 -0.216 3.228 1.00 0.00 O ATOM 1712 CB CYS A 113 1.395 -0.158 3.458 1.00 0.00 C ATOM 1713 SG CYS A 113 -0.329 -0.492 3.028 1.00 0.00 S ATOM 0 H CYS A 113 2.991 -2.232 2.654 1.00 0.00 H new ATOM 0 HA CYS A 113 1.935 0.247 1.419 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.706 -0.856 4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.465 0.844 3.882 1.00 0.00 H new ATOM 0 HG CYS A 113 -0.735 0.381 2.155 1.00 0.00 H new ATOM 1719 N ILE A 114 3.821 1.673 2.259 1.00 0.00 N ATOM 1720 CA ILE A 114 5.038 2.426 2.535 1.00 0.00 C ATOM 1721 C ILE A 114 4.714 3.831 3.034 1.00 0.00 C ATOM 1722 O ILE A 114 4.077 4.617 2.333 1.00 0.00 O ATOM 1723 CB ILE A 114 5.931 2.531 1.285 1.00 0.00 C ATOM 1724 CG1 ILE A 114 6.401 1.142 0.849 1.00 0.00 C ATOM 1725 CG2 ILE A 114 7.122 3.437 1.559 1.00 0.00 C ATOM 1726 CD1 ILE A 114 6.933 1.100 -0.566 1.00 0.00 C ATOM 0 H ILE A 114 3.101 2.200 1.765 1.00 0.00 H new ATOM 0 HA ILE A 114 5.576 1.882 3.311 1.00 0.00 H new ATOM 0 HB ILE A 114 5.346 2.967 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.179 0.800 1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.570 0.442 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.744 3.501 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.768 4.433 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.709 3.028 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.248 0.084 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.151 1.411 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.785 1.774 -0.655 1.00 0.00 H new ATOM 1738 N ALA A 115 5.158 4.139 4.248 1.00 0.00 N ATOM 1739 CA ALA A 115 4.918 5.449 4.839 1.00 0.00 C ATOM 1740 C ALA A 115 5.394 6.564 3.913 1.00 0.00 C ATOM 1741 O ALA A 115 6.472 6.477 3.326 1.00 0.00 O ATOM 1742 CB ALA A 115 5.609 5.553 6.191 1.00 0.00 C ATOM 0 H ALA A 115 5.686 3.499 4.841 1.00 0.00 H new ATOM 0 HA ALA A 115 3.844 5.564 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.421 6.537 6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.219 4.785 6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.682 5.412 6.063 1.00 0.00 H new ATOM 1748 N GLN A 116 4.583 7.609 3.787 1.00 0.00 N ATOM 1749 CA GLN A 116 4.921 8.740 2.931 1.00 0.00 C ATOM 1750 C GLN A 116 6.338 9.231 3.212 1.00 0.00 C ATOM 1751 O GLN A 116 7.213 9.153 2.351 1.00 0.00 O ATOM 1752 CB GLN A 116 3.923 9.881 3.139 1.00 0.00 C ATOM 1753 CG GLN A 116 4.381 11.205 2.549 1.00 0.00 C ATOM 1754 CD GLN A 116 3.318 12.282 2.637 1.00 0.00 C ATOM 1755 OE1 GLN A 116 3.101 12.870 3.697 1.00 0.00 O ATOM 1756 NE2 GLN A 116 2.649 12.547 1.521 1.00 0.00 N ATOM 0 H GLN A 116 3.687 7.696 4.267 1.00 0.00 H new ATOM 0 HA GLN A 116 4.870 8.407 1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.969 9.604 2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.748 10.010 4.207 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.277 11.541 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.657 11.057 1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 116 2.862 12.035 0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 116 1.922 13.263 1.520 1.00 0.00 H new ATOM 1765 N GLN A 117 6.554 9.736 4.423 1.00 0.00 N ATOM 1766 CA GLN A 117 7.865 10.240 4.816 1.00 0.00 C ATOM 1767 C GLN A 117 8.978 9.384 4.221 1.00 0.00 C ATOM 1768 O GLN A 117 9.800 9.869 3.444 1.00 0.00 O ATOM 1769 CB GLN A 117 7.987 10.269 6.340 1.00 0.00 C ATOM 1770 CG GLN A 117 7.455 11.548 6.969 1.00 0.00 C ATOM 1771 CD GLN A 117 6.099 11.947 6.420 1.00 0.00 C ATOM 1772 OE1 GLN A 117 5.070 11.398 6.813 1.00 0.00 O ATOM 1773 NE2 GLN A 117 6.091 12.910 5.505 1.00 0.00 N ATOM 0 H GLN A 117 5.839 9.807 5.147 1.00 0.00 H new ATOM 0 HA GLN A 117 7.967 11.255 4.431 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.448 9.418 6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 117 9.035 10.147 6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.381 11.414 8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.165 12.356 6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.968 13.338 5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.208 13.221 5.100 1.00 0.00 H new ATOM 1782 N ASP A 118 8.999 8.108 4.592 1.00 0.00 N ATOM 1783 CA ASP A 118 10.012 7.184 4.095 1.00 0.00 C ATOM 1784 C ASP A 118 9.898 7.016 2.583 1.00 0.00 C ATOM 1785 O ASP A 118 10.893 6.772 1.900 1.00 0.00 O ATOM 1786 CB ASP A 118 9.874 5.825 4.784 1.00 0.00 C ATOM 1787 CG ASP A 118 10.037 5.919 6.288 1.00 0.00 C ATOM 1788 OD1 ASP A 118 11.183 6.102 6.751 1.00 0.00 O ATOM 1789 OD2 ASP A 118 9.019 5.811 7.003 1.00 0.00 O ATOM 0 H ASP A 118 8.326 7.690 5.235 1.00 0.00 H new ATOM 0 HA ASP A 118 10.993 7.600 4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.896 5.402 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.621 5.140 4.383 1.00 0.00 H new ATOM 1794 N TYR A 119 8.681 7.146 2.069 1.00 0.00 N ATOM 1795 CA TYR A 119 8.437 7.005 0.638 1.00 0.00 C ATOM 1796 C TYR A 119 9.002 8.196 -0.131 1.00 0.00 C ATOM 1797 O TYR A 119 9.290 8.098 -1.324 1.00 0.00 O ATOM 1798 CB TYR A 119 6.938 6.873 0.366 1.00 0.00 C ATOM 1799 CG TYR A 119 6.611 6.543 -1.074 1.00 0.00 C ATOM 1800 CD1 TYR A 119 7.373 5.626 -1.787 1.00 0.00 C ATOM 1801 CD2 TYR A 119 5.541 7.150 -1.720 1.00 0.00 C ATOM 1802 CE1 TYR A 119 7.078 5.323 -3.102 1.00 0.00 C ATOM 1803 CE2 TYR A 119 5.238 6.851 -3.034 1.00 0.00 C ATOM 1804 CZ TYR A 119 6.010 5.937 -3.721 1.00 0.00 C ATOM 1805 OH TYR A 119 5.712 5.638 -5.031 1.00 0.00 O ATOM 0 H TYR A 119 7.848 7.349 2.621 1.00 0.00 H new ATOM 0 HA TYR A 119 8.943 6.102 0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 119 6.527 6.096 1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 119 6.444 7.806 0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 119 8.210 5.142 -1.305 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.936 7.868 -1.186 1.00 0.00 H new ATOM 0 HE1 TYR A 119 7.681 4.609 -3.643 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.401 7.330 -3.521 1.00 0.00 H new ATOM 0 HH TYR A 119 5.422 4.704 -5.096 1.00 0.00 H new ATOM 1815 N TRP A 120 9.157 9.318 0.561 1.00 0.00 N ATOM 1816 CA TRP A 120 9.688 10.529 -0.055 1.00 0.00 C ATOM 1817 C TRP A 120 11.136 10.763 0.363 1.00 0.00 C ATOM 1818 O TRP A 120 11.775 11.715 -0.085 1.00 0.00 O ATOM 1819 CB TRP A 120 8.832 11.738 0.327 1.00 0.00 C ATOM 1820 CG TRP A 120 9.559 13.043 0.203 1.00 0.00 C ATOM 1821 CD1 TRP A 120 9.660 13.822 -0.914 1.00 0.00 C ATOM 1822 CD2 TRP A 120 10.286 13.720 1.234 1.00 0.00 C ATOM 1823 NE1 TRP A 120 10.407 14.942 -0.640 1.00 0.00 N ATOM 1824 CE2 TRP A 120 10.802 14.904 0.671 1.00 0.00 C ATOM 1825 CE3 TRP A 120 10.550 13.442 2.578 1.00 0.00 C ATOM 1826 CZ2 TRP A 120 11.566 15.805 1.406 1.00 0.00 C ATOM 1827 CZ3 TRP A 120 11.309 14.338 3.306 1.00 0.00 C ATOM 1828 CH2 TRP A 120 11.810 15.508 2.720 1.00 0.00 C ATOM 0 H TRP A 120 8.923 9.415 1.549 1.00 0.00 H new ATOM 0 HA TRP A 120 9.658 10.399 -1.137 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.946 11.762 -0.308 1.00 0.00 H new ATOM 0 HB3 TRP A 120 8.486 11.619 1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.218 13.592 -1.872 1.00 0.00 H new ATOM 0 HE1 TRP A 120 10.631 15.682 -1.305 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.168 12.543 3.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 11.953 16.707 0.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 11.520 14.133 4.345 1.00 0.00 H new ATOM 0 HH2 TRP A 120 12.400 16.188 3.316 1.00 0.00 H new ATOM 1839 N ARG A 121 11.647 9.890 1.225 1.00 0.00 N ATOM 1840 CA ARG A 121 13.019 10.003 1.704 1.00 0.00 C ATOM 1841 C ARG A 121 13.943 9.064 0.933 1.00 0.00 C ATOM 1842 O ARG A 121 15.146 9.014 1.189 1.00 0.00 O ATOM 1843 CB ARG A 121 13.087 9.689 3.199 1.00 0.00 C ATOM 1844 CG ARG A 121 12.765 10.880 4.087 1.00 0.00 C ATOM 1845 CD ARG A 121 12.866 10.520 5.561 1.00 0.00 C ATOM 1846 NE ARG A 121 12.122 11.452 6.404 1.00 0.00 N ATOM 1847 CZ ARG A 121 11.920 11.266 7.704 1.00 0.00 C ATOM 1848 NH1 ARG A 121 12.405 10.189 8.306 1.00 0.00 N ATOM 1849 NH2 ARG A 121 11.233 12.159 8.404 1.00 0.00 N ATOM 0 H ARG A 121 11.131 9.097 1.606 1.00 0.00 H new ATOM 0 HA ARG A 121 13.352 11.028 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 121 12.391 8.880 3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 121 14.086 9.326 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 121 13.450 11.698 3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 121 11.759 11.238 3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 121 12.486 9.510 5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 121 13.914 10.516 5.862 1.00 0.00 H new ATOM 0 HE ARG A 121 11.736 12.291 5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 121 12.935 9.501 7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 121 12.249 10.049 9.304 1.00 0.00 H new ATOM 0 HH21 ARG A 121 10.859 12.989 7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 121 11.078 12.015 9.402 1.00 0.00 H new ATOM 1863 N ILE A 122 13.372 8.323 -0.010 1.00 0.00 N ATOM 1864 CA ILE A 122 14.144 7.386 -0.817 1.00 0.00 C ATOM 1865 C ILE A 122 14.205 7.836 -2.273 1.00 0.00 C ATOM 1866 O ILE A 122 15.285 8.073 -2.816 1.00 0.00 O ATOM 1867 CB ILE A 122 13.551 5.966 -0.754 1.00 0.00 C ATOM 1868 CG1 ILE A 122 13.490 5.479 0.695 1.00 0.00 C ATOM 1869 CG2 ILE A 122 14.373 5.011 -1.606 1.00 0.00 C ATOM 1870 CD1 ILE A 122 12.677 4.216 0.874 1.00 0.00 C ATOM 0 H ILE A 122 12.377 8.353 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 122 15.152 7.368 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 122 12.536 5.994 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 122 14.504 5.303 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 122 13.065 6.267 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 122 13.942 4.011 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 122 14.369 5.352 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 122 15.398 4.984 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 122 12.677 3.929 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 122 11.653 4.393 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 122 13.115 3.414 0.279 1.00 0.00 H new ATOM 1882 N LEU A 123 13.040 7.954 -2.899 1.00 0.00 N ATOM 1883 CA LEU A 123 12.959 8.377 -4.293 1.00 0.00 C ATOM 1884 C LEU A 123 13.581 9.758 -4.479 1.00 0.00 C ATOM 1885 O LEU A 123 14.194 10.039 -5.507 1.00 0.00 O ATOM 1886 CB LEU A 123 11.502 8.395 -4.757 1.00 0.00 C ATOM 1887 CG LEU A 123 10.900 7.040 -5.131 1.00 0.00 C ATOM 1888 CD1 LEU A 123 10.291 6.371 -3.909 1.00 0.00 C ATOM 1889 CD2 LEU A 123 9.857 7.203 -6.227 1.00 0.00 C ATOM 0 H LEU A 123 12.138 7.763 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 123 13.517 7.662 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.895 8.834 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 123 11.425 9.055 -5.621 1.00 0.00 H new ATOM 0 HG LEU A 123 11.699 6.402 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.868 5.408 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.063 6.219 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.505 7.006 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.440 6.228 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.060 7.859 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.323 7.639 -7.111 1.00 0.00 H new ATOM 1901 N ASN A 124 13.419 10.614 -3.475 1.00 0.00 N ATOM 1902 CA ASN A 124 13.967 11.965 -3.528 1.00 0.00 C ATOM 1903 C ASN A 124 15.422 11.981 -3.070 1.00 0.00 C ATOM 1904 O ASN A 124 16.008 10.934 -2.791 1.00 0.00 O ATOM 1905 CB ASN A 124 13.135 12.908 -2.656 1.00 0.00 C ATOM 1906 CG ASN A 124 11.683 12.968 -3.090 1.00 0.00 C ATOM 1907 OD1 ASN A 124 10.932 11.916 -2.785 1.00 0.00 O flip ATOM 1908 ND2 ASN A 124 11.243 13.948 -3.692 1.00 0.00 N flip ATOM 0 H ASN A 124 12.914 10.397 -2.616 1.00 0.00 H new ATOM 0 HA ASN A 124 13.928 12.307 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 124 13.188 12.580 -1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.565 13.909 -2.696 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.857 14.734 -3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.264 13.974 -3.978 1.00 0.00 H new ATOM 1915 N HIS A 125 16.000 13.175 -2.994 1.00 0.00 N ATOM 1916 CA HIS A 125 17.386 13.328 -2.568 1.00 0.00 C ATOM 1917 C HIS A 125 17.470 14.110 -1.261 1.00 0.00 C ATOM 1918 O HIS A 125 18.178 15.114 -1.170 1.00 0.00 O ATOM 1919 CB HIS A 125 18.200 14.035 -3.652 1.00 0.00 C ATOM 1920 CG HIS A 125 18.202 13.314 -4.965 1.00 0.00 C ATOM 1921 ND1 HIS A 125 19.310 12.662 -5.464 1.00 0.00 N ATOM 1922 CD2 HIS A 125 17.222 13.143 -5.883 1.00 0.00 C ATOM 1923 CE1 HIS A 125 19.012 12.123 -6.633 1.00 0.00 C ATOM 1924 NE2 HIS A 125 17.751 12.400 -6.910 1.00 0.00 N ATOM 0 H HIS A 125 15.530 14.051 -3.222 1.00 0.00 H new ATOM 0 HA HIS A 125 17.801 12.334 -2.403 1.00 0.00 H new ATOM 0 HB2 HIS A 125 17.801 15.039 -3.798 1.00 0.00 H new ATOM 0 HB3 HIS A 125 19.228 14.148 -3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 125 16.212 13.521 -5.820 1.00 0.00 H new ATOM 0 HE1 HIS A 125 19.685 11.553 -7.256 1.00 0.00 H new ATOM 0 HE2 HIS A 125 17.251 12.109 -7.750 1.00 0.00 H new