USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 707 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 75 THR OG1 : rot 160:sc= 1.26 USER MOD Set 1.2: A 88 GLN : amide:sc= 0.771 K(o=2,f=-1.9) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.749 K(o=-0.45,f=-7.1!) USER MOD Set 2.2: A 92 SER OG : rot -79:sc= -1.2 USER MOD Single : A 15 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.8!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00186 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -58:sc= 0.59 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc=-0.00289 USER MOD Single : A 38 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.3) USER MOD Single : A 40 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-4.4!) USER MOD Single : A 43 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.46) USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00227 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 51 SER OG : rot -43:sc= 0.242 USER MOD Single : A 64 GLN : amide:sc= -3.21! C(o=-3.2!,f=-4.5!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -132:sc= 0 (180deg=-1.46) USER MOD Single : A 77 MET CE :methyl -165:sc= -3.24 (180deg=-3.63!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.778 F(o=-1.5!,f=-0.78) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 91 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.225) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 12 -8.451 -6.067 -7.206 1.00 0.00 N ATOM 130 CA ILE A 12 -7.570 -5.176 -7.949 1.00 0.00 C ATOM 131 C ILE A 12 -6.621 -4.435 -7.014 1.00 0.00 C ATOM 132 O ILE A 12 -6.990 -3.427 -6.410 1.00 0.00 O ATOM 133 CB ILE A 12 -8.370 -4.148 -8.771 1.00 0.00 C ATOM 134 CG1 ILE A 12 -9.545 -4.830 -9.476 1.00 0.00 C ATOM 135 CG2 ILE A 12 -7.466 -3.459 -9.782 1.00 0.00 C ATOM 136 CD1 ILE A 12 -10.439 -3.868 -10.227 1.00 0.00 C ATOM 0 HA ILE A 12 -6.991 -5.801 -8.629 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.766 -3.392 -8.093 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.158 -5.574 -10.173 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.141 -5.365 -8.737 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.046 -2.736 -10.355 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.660 -2.945 -9.258 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.043 -4.202 -10.458 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.250 -4.420 -10.702 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.855 -3.139 -9.531 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.857 -3.351 -10.990 1.00 0.00 H new ATOM 148 N TRP A 13 -5.398 -4.939 -6.900 1.00 0.00 N ATOM 149 CA TRP A 13 -4.395 -4.323 -6.038 1.00 0.00 C ATOM 150 C TRP A 13 -3.780 -3.099 -6.708 1.00 0.00 C ATOM 151 O TRP A 13 -2.923 -3.224 -7.582 1.00 0.00 O ATOM 152 CB TRP A 13 -3.300 -5.333 -5.692 1.00 0.00 C ATOM 153 CG TRP A 13 -3.781 -6.455 -4.821 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.455 -7.573 -5.222 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.626 -6.565 -3.402 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.729 -8.371 -4.138 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.230 -7.775 -3.010 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.035 -5.760 -2.425 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.259 -8.197 -1.683 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.065 -6.179 -1.109 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.672 -7.389 -0.747 1.00 0.00 C ATOM 0 H TRP A 13 -5.076 -5.772 -7.393 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.888 -4.003 -5.120 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.893 -5.747 -6.614 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.484 -4.815 -5.188 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.732 -7.797 -6.242 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.224 -9.263 -4.168 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.563 -4.827 -2.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.728 -9.129 -1.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.613 -5.563 -0.346 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.677 -7.690 0.290 1.00 0.00 H new ATOM 172 N GLU A 14 -4.223 -1.916 -6.292 1.00 0.00 N ATOM 173 CA GLU A 14 -3.715 -0.670 -6.854 1.00 0.00 C ATOM 174 C GLU A 14 -2.588 -0.106 -5.994 1.00 0.00 C ATOM 175 O GLU A 14 -2.633 -0.182 -4.766 1.00 0.00 O ATOM 176 CB GLU A 14 -4.842 0.357 -6.975 1.00 0.00 C ATOM 177 CG GLU A 14 -6.088 -0.184 -7.656 1.00 0.00 C ATOM 178 CD GLU A 14 -6.861 0.889 -8.397 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.267 1.947 -8.696 1.00 0.00 O ATOM 180 OE2 GLU A 14 -8.058 0.673 -8.679 1.00 0.00 O ATOM 0 H GLU A 14 -4.932 -1.795 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.319 -0.883 -7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.107 0.712 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.478 1.219 -7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.803 -0.970 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.736 -0.642 -6.909 1.00 0.00 H new ATOM 187 N GLN A 15 -1.579 0.460 -6.649 1.00 0.00 N ATOM 188 CA GLN A 15 -0.439 1.036 -5.944 1.00 0.00 C ATOM 189 C GLN A 15 -0.655 2.523 -5.684 1.00 0.00 C ATOM 190 O GLN A 15 -1.074 3.264 -6.574 1.00 0.00 O ATOM 191 CB GLN A 15 0.844 0.828 -6.751 1.00 0.00 C ATOM 192 CG GLN A 15 1.583 -0.453 -6.400 1.00 0.00 C ATOM 193 CD GLN A 15 2.434 -0.968 -7.543 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.148 -0.707 -8.712 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.488 -1.705 -7.212 1.00 0.00 N ATOM 0 H GLN A 15 -1.527 0.532 -7.665 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.343 0.528 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.598 0.816 -7.813 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.508 1.677 -6.587 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.217 -0.276 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.861 -1.218 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.688 -1.897 -6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.097 -2.079 -7.939 1.00 0.00 H new ATOM 204 N TYR A 16 -0.367 2.952 -4.461 1.00 0.00 N ATOM 205 CA TYR A 16 -0.533 4.351 -4.083 1.00 0.00 C ATOM 206 C TYR A 16 0.795 4.955 -3.636 1.00 0.00 C ATOM 207 O TYR A 16 1.438 4.457 -2.712 1.00 0.00 O ATOM 208 CB TYR A 16 -1.567 4.479 -2.963 1.00 0.00 C ATOM 209 CG TYR A 16 -2.928 3.932 -3.330 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.172 2.564 -3.329 1.00 0.00 C ATOM 211 CD2 TYR A 16 -3.970 4.782 -3.679 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.413 2.059 -3.664 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.215 4.287 -4.014 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.431 2.925 -4.006 1.00 0.00 C ATOM 215 OH TYR A 16 -6.670 2.427 -4.341 1.00 0.00 O ATOM 0 H TYR A 16 -0.017 2.352 -3.714 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.885 4.898 -4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.200 3.956 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.668 5.530 -2.692 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.377 1.884 -3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.803 5.849 -3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.585 0.993 -3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.015 4.962 -4.281 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.274 3.169 -4.555 1.00 0.00 H new ATOM 225 N THR A 17 1.199 6.034 -4.299 1.00 0.00 N ATOM 226 CA THR A 17 2.450 6.708 -3.972 1.00 0.00 C ATOM 227 C THR A 17 2.193 8.015 -3.232 1.00 0.00 C ATOM 228 O THR A 17 1.911 9.044 -3.847 1.00 0.00 O ATOM 229 CB THR A 17 3.277 7.002 -5.238 1.00 0.00 C ATOM 230 OG1 THR A 17 3.488 5.794 -5.977 1.00 0.00 O ATOM 231 CG2 THR A 17 4.618 7.621 -4.876 1.00 0.00 C ATOM 0 H THR A 17 0.678 6.460 -5.066 1.00 0.00 H new ATOM 0 HA THR A 17 3.013 6.033 -3.327 1.00 0.00 H new ATOM 0 HB THR A 17 2.721 7.711 -5.852 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.013 5.990 -6.781 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.184 7.820 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.454 8.555 -4.339 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.178 6.932 -4.243 1.00 0.00 H new ATOM 239 N VAL A 18 2.292 7.969 -1.907 1.00 0.00 N ATOM 240 CA VAL A 18 2.072 9.151 -1.083 1.00 0.00 C ATOM 241 C VAL A 18 3.280 9.437 -0.197 1.00 0.00 C ATOM 242 O VAL A 18 4.029 8.528 0.164 1.00 0.00 O ATOM 243 CB VAL A 18 0.824 8.991 -0.194 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.440 9.263 -0.994 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.786 7.602 0.424 1.00 0.00 C ATOM 0 H VAL A 18 2.523 7.126 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 18 1.919 9.988 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 18 0.878 9.721 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.311 9.145 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.412 10.281 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.504 8.559 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.102 7.506 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.756 6.853 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.677 7.451 1.034 1.00 0.00 H new ATOM 255 N THR A 19 3.465 10.706 0.151 1.00 0.00 N ATOM 256 CA THR A 19 4.583 11.112 0.994 1.00 0.00 C ATOM 257 C THR A 19 4.101 11.553 2.371 1.00 0.00 C ATOM 258 O THR A 19 3.153 12.332 2.489 1.00 0.00 O ATOM 259 CB THR A 19 5.383 12.261 0.351 1.00 0.00 C ATOM 260 OG1 THR A 19 4.544 13.003 -0.541 1.00 0.00 O ATOM 261 CG2 THR A 19 6.587 11.722 -0.407 1.00 0.00 C ATOM 0 H THR A 19 2.855 11.471 -0.138 1.00 0.00 H new ATOM 0 HA THR A 19 5.231 10.242 1.100 1.00 0.00 H new ATOM 0 HB THR A 19 5.737 12.918 1.145 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.060 13.732 -0.944 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.137 12.551 -0.853 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.238 11.182 0.281 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.250 11.046 -1.193 1.00 0.00 H new ATOM 269 N LEU A 20 4.758 11.052 3.411 1.00 0.00 N ATOM 270 CA LEU A 20 4.396 11.396 4.782 1.00 0.00 C ATOM 271 C LEU A 20 5.432 12.329 5.401 1.00 0.00 C ATOM 272 O LEU A 20 6.620 12.245 5.091 1.00 0.00 O ATOM 273 CB LEU A 20 4.265 10.128 5.629 1.00 0.00 C ATOM 274 CG LEU A 20 3.464 8.985 5.005 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.939 7.644 5.545 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.977 9.171 5.267 1.00 0.00 C ATOM 0 H LEU A 20 5.544 10.407 3.332 1.00 0.00 H new ATOM 0 HA LEU A 20 3.436 11.912 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.266 9.762 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.800 10.395 6.578 1.00 0.00 H new ATOM 0 HG LEU A 20 3.627 8.998 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.358 6.842 5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.994 7.508 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.806 7.620 6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.422 8.348 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.796 9.184 6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.646 10.114 4.832 1.00 0.00 H new ATOM 288 N GLN A 21 4.973 13.216 6.278 1.00 0.00 N ATOM 289 CA GLN A 21 5.860 14.164 6.941 1.00 0.00 C ATOM 290 C GLN A 21 6.097 13.764 8.393 1.00 0.00 C ATOM 291 O GLN A 21 5.155 13.466 9.128 1.00 0.00 O ATOM 292 CB GLN A 21 5.273 15.575 6.878 1.00 0.00 C ATOM 293 CG GLN A 21 4.941 16.033 5.467 1.00 0.00 C ATOM 294 CD GLN A 21 4.272 17.393 5.437 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.084 17.520 5.736 1.00 0.00 O ATOM 296 NE2 GLN A 21 5.032 18.419 5.074 1.00 0.00 N ATOM 0 H GLN A 21 3.992 13.298 6.546 1.00 0.00 H new ATOM 0 HA GLN A 21 6.817 14.153 6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.368 15.611 7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.982 16.275 7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.856 16.069 4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.286 15.300 4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.012 18.268 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.636 19.358 5.035 1.00 0.00 H new ATOM 305 N LYS A 22 7.361 13.758 8.802 1.00 0.00 N ATOM 306 CA LYS A 22 7.723 13.395 10.167 1.00 0.00 C ATOM 307 C LYS A 22 7.188 14.420 11.162 1.00 0.00 C ATOM 308 O LYS A 22 7.888 15.360 11.538 1.00 0.00 O ATOM 309 CB LYS A 22 9.244 13.285 10.301 1.00 0.00 C ATOM 310 CG LYS A 22 9.691 12.241 11.309 1.00 0.00 C ATOM 311 CD LYS A 22 11.029 11.632 10.926 1.00 0.00 C ATOM 312 CE LYS A 22 11.144 10.192 11.402 1.00 0.00 C ATOM 313 NZ LYS A 22 11.700 10.106 12.780 1.00 0.00 N ATOM 0 H LYS A 22 8.153 14.001 8.207 1.00 0.00 H new ATOM 0 HA LYS A 22 7.273 12.428 10.391 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.670 13.043 9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.646 14.255 10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.767 12.697 12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.939 11.455 11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.150 11.669 9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.836 12.224 11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.161 9.722 11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.782 9.633 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.762 9.108 13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.649 10.532 12.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.078 10.618 13.438 1.00 0.00 H new ATOM 327 N ASP A 23 5.943 14.230 11.587 1.00 0.00 N ATOM 328 CA ASP A 23 5.315 15.137 12.541 1.00 0.00 C ATOM 329 C ASP A 23 6.158 15.264 13.806 1.00 0.00 C ATOM 330 O ASP A 23 7.053 14.455 14.052 1.00 0.00 O ATOM 331 CB ASP A 23 3.911 14.644 12.897 1.00 0.00 C ATOM 332 CG ASP A 23 2.979 15.777 13.277 1.00 0.00 C ATOM 333 OD1 ASP A 23 3.042 16.234 14.438 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.187 16.208 12.413 1.00 0.00 O ATOM 0 H ASP A 23 5.350 13.457 11.286 1.00 0.00 H new ATOM 0 HA ASP A 23 5.240 16.120 12.075 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.493 14.103 12.048 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.976 13.938 13.725 1.00 0.00 H new ATOM 339 N SER A 24 5.868 16.287 14.604 1.00 0.00 N ATOM 340 CA SER A 24 6.602 16.523 15.841 1.00 0.00 C ATOM 341 C SER A 24 6.990 15.205 16.504 1.00 0.00 C ATOM 342 O SER A 24 8.162 14.829 16.528 1.00 0.00 O ATOM 343 CB SER A 24 5.763 17.364 16.805 1.00 0.00 C ATOM 344 OG SER A 24 4.449 16.846 16.922 1.00 0.00 O ATOM 0 H SER A 24 5.130 16.965 14.416 1.00 0.00 H new ATOM 0 HA SER A 24 7.514 17.067 15.594 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.239 17.382 17.785 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.721 18.394 16.452 1.00 0.00 H new ATOM 0 HG SER A 24 4.029 16.817 16.037 1.00 0.00 H new ATOM 350 N LYS A 25 5.996 14.505 17.041 1.00 0.00 N ATOM 351 CA LYS A 25 6.230 13.227 17.703 1.00 0.00 C ATOM 352 C LYS A 25 5.638 12.078 16.893 1.00 0.00 C ATOM 353 O LYS A 25 6.144 10.957 16.928 1.00 0.00 O ATOM 354 CB LYS A 25 5.624 13.240 19.108 1.00 0.00 C ATOM 355 CG LYS A 25 6.541 13.839 20.161 1.00 0.00 C ATOM 356 CD LYS A 25 7.545 12.819 20.671 1.00 0.00 C ATOM 357 CE LYS A 25 6.992 12.033 21.850 1.00 0.00 C ATOM 358 NZ LYS A 25 7.316 12.682 23.150 1.00 0.00 N ATOM 0 H LYS A 25 5.020 14.802 17.031 1.00 0.00 H new ATOM 0 HA LYS A 25 7.307 13.077 17.779 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.692 13.804 19.087 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.373 12.219 19.396 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.071 14.693 19.740 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.945 14.212 20.994 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.808 12.133 19.866 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.462 13.327 20.969 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.911 11.941 21.750 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.401 11.023 21.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.922 12.116 23.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.348 12.747 23.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.904 13.637 23.173 1.00 0.00 H new ATOM 372 N ARG A 26 4.565 12.366 16.163 1.00 0.00 N ATOM 373 CA ARG A 26 3.905 11.356 15.344 1.00 0.00 C ATOM 374 C ARG A 26 4.494 11.329 13.936 1.00 0.00 C ATOM 375 O ARG A 26 3.764 11.253 12.949 1.00 0.00 O ATOM 376 CB ARG A 26 2.402 11.628 15.275 1.00 0.00 C ATOM 377 CG ARG A 26 1.738 11.729 16.638 1.00 0.00 C ATOM 378 CD ARG A 26 1.817 10.413 17.396 1.00 0.00 C ATOM 379 NE ARG A 26 0.845 10.349 18.484 1.00 0.00 N ATOM 380 CZ ARG A 26 0.781 9.347 19.354 1.00 0.00 C ATOM 381 NH1 ARG A 26 1.629 8.332 19.264 1.00 0.00 N ATOM 382 NH2 ARG A 26 -0.132 9.360 20.317 1.00 0.00 N ATOM 0 H ARG A 26 4.135 13.290 16.122 1.00 0.00 H new ATOM 0 HA ARG A 26 4.070 10.383 15.807 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.234 12.556 14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.923 10.832 14.705 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.219 12.515 17.221 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.694 12.017 16.515 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.644 9.587 16.707 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.822 10.287 17.800 1.00 0.00 H new ATOM 0 HE ARG A 26 0.179 11.115 18.581 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.333 8.319 18.526 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.578 7.564 19.933 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.785 10.140 20.390 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.180 8.590 20.984 1.00 0.00 H new ATOM 396 N GLY A 27 5.819 11.391 13.853 1.00 0.00 N ATOM 397 CA GLY A 27 6.483 11.373 12.562 1.00 0.00 C ATOM 398 C GLY A 27 5.551 10.969 11.437 1.00 0.00 C ATOM 399 O GLY A 27 4.831 11.803 10.888 1.00 0.00 O ATOM 0 H GLY A 27 6.445 11.453 14.656 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.892 12.361 12.353 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.324 10.681 12.599 1.00 0.00 H new ATOM 403 N PHE A 28 5.566 9.686 11.090 1.00 0.00 N ATOM 404 CA PHE A 28 4.718 9.174 10.020 1.00 0.00 C ATOM 405 C PHE A 28 3.430 8.579 10.584 1.00 0.00 C ATOM 406 O PHE A 28 2.614 8.028 9.848 1.00 0.00 O ATOM 407 CB PHE A 28 5.468 8.116 9.208 1.00 0.00 C ATOM 408 CG PHE A 28 6.821 8.570 8.738 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.030 9.884 8.354 1.00 0.00 C ATOM 410 CD2 PHE A 28 7.882 7.682 8.681 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.274 10.304 7.920 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.128 8.096 8.249 1.00 0.00 C ATOM 413 CZ PHE A 28 9.324 9.409 7.869 1.00 0.00 C ATOM 0 H PHE A 28 6.156 8.982 11.534 1.00 0.00 H new ATOM 0 HA PHE A 28 4.458 10.007 9.367 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.585 7.219 9.816 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.866 7.839 8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.212 10.589 8.394 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.734 6.654 8.978 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.424 11.331 7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.947 7.393 8.209 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.297 9.735 7.532 1.00 0.00 H new ATOM 423 N GLY A 29 3.257 8.696 11.898 1.00 0.00 N ATOM 424 CA GLY A 29 2.069 8.165 12.539 1.00 0.00 C ATOM 425 C GLY A 29 1.602 6.866 11.912 1.00 0.00 C ATOM 426 O GLY A 29 0.471 6.771 11.435 1.00 0.00 O ATOM 0 H GLY A 29 3.918 9.149 12.529 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.274 8.001 13.597 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.268 8.902 12.480 1.00 0.00 H new ATOM 430 N ILE A 30 2.475 5.865 11.911 1.00 0.00 N ATOM 431 CA ILE A 30 2.147 4.566 11.337 1.00 0.00 C ATOM 432 C ILE A 30 2.848 3.440 12.088 1.00 0.00 C ATOM 433 O ILE A 30 3.903 3.642 12.688 1.00 0.00 O ATOM 434 CB ILE A 30 2.534 4.494 9.848 1.00 0.00 C ATOM 435 CG1 ILE A 30 3.897 5.152 9.621 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.469 5.160 8.990 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.670 4.557 8.465 1.00 0.00 C ATOM 0 H ILE A 30 3.415 5.928 12.301 1.00 0.00 H new ATOM 0 HA ILE A 30 1.068 4.444 11.430 1.00 0.00 H new ATOM 0 HB ILE A 30 2.604 3.446 9.556 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.752 6.217 9.440 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.491 5.061 10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.758 5.101 7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.516 4.651 9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.370 6.206 9.280 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.625 5.072 8.363 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.847 3.498 8.652 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.096 4.672 7.546 1.00 0.00 H new ATOM 449 N ALA A 31 2.254 2.251 12.049 1.00 0.00 N ATOM 450 CA ALA A 31 2.824 1.091 12.723 1.00 0.00 C ATOM 451 C ALA A 31 2.791 -0.139 11.821 1.00 0.00 C ATOM 452 O ALA A 31 1.726 -0.561 11.369 1.00 0.00 O ATOM 453 CB ALA A 31 2.079 0.816 14.021 1.00 0.00 C ATOM 0 H ALA A 31 1.379 2.066 11.558 1.00 0.00 H new ATOM 0 HA ALA A 31 3.866 1.312 12.955 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.515 -0.053 14.514 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.158 1.683 14.677 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.029 0.621 13.803 1.00 0.00 H new ATOM 459 N VAL A 32 3.963 -0.710 11.563 1.00 0.00 N ATOM 460 CA VAL A 32 4.068 -1.891 10.716 1.00 0.00 C ATOM 461 C VAL A 32 4.158 -3.162 11.553 1.00 0.00 C ATOM 462 O VAL A 32 4.583 -3.128 12.708 1.00 0.00 O ATOM 463 CB VAL A 32 5.297 -1.811 9.791 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.189 -0.611 8.863 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.577 -1.749 10.610 1.00 0.00 C ATOM 0 H VAL A 32 4.854 -0.373 11.929 1.00 0.00 H new ATOM 0 HA VAL A 32 3.165 -1.924 10.106 1.00 0.00 H new ATOM 0 HB VAL A 32 5.329 -2.712 9.178 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.066 -0.571 8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.292 -0.704 8.251 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.132 0.303 9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.435 -1.693 9.940 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.557 -0.866 11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.657 -2.643 11.228 1.00 0.00 H new ATOM 475 N SER A 33 3.756 -4.283 10.963 1.00 0.00 N ATOM 476 CA SER A 33 3.789 -5.566 11.656 1.00 0.00 C ATOM 477 C SER A 33 4.094 -6.701 10.684 1.00 0.00 C ATOM 478 O SER A 33 3.737 -6.640 9.508 1.00 0.00 O ATOM 479 CB SER A 33 2.453 -5.825 12.356 1.00 0.00 C ATOM 480 OG SER A 33 2.624 -6.664 13.485 1.00 0.00 O ATOM 0 H SER A 33 3.404 -4.329 10.007 1.00 0.00 H new ATOM 0 HA SER A 33 4.582 -5.527 12.403 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.012 -4.878 12.666 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.756 -6.288 11.657 1.00 0.00 H new ATOM 0 HG SER A 33 1.757 -6.813 13.916 1.00 0.00 H new ATOM 486 N GLY A 34 4.760 -7.738 11.184 1.00 0.00 N ATOM 487 CA GLY A 34 5.103 -8.873 10.347 1.00 0.00 C ATOM 488 C GLY A 34 6.553 -9.288 10.500 1.00 0.00 C ATOM 489 O GLY A 34 7.152 -9.098 11.558 1.00 0.00 O ATOM 0 H GLY A 34 5.068 -7.812 12.154 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.459 -9.715 10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.908 -8.624 9.304 1.00 0.00 H new ATOM 493 N GLY A 35 7.119 -9.859 9.441 1.00 0.00 N ATOM 494 CA GLY A 35 8.502 -10.295 9.484 1.00 0.00 C ATOM 495 C GLY A 35 8.715 -11.619 8.778 1.00 0.00 C ATOM 496 O GLY A 35 8.042 -12.605 9.078 1.00 0.00 O ATOM 0 H GLY A 35 6.644 -10.027 8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.134 -9.535 9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.819 -10.386 10.523 1.00 0.00 H new ATOM 500 N ARG A 36 9.651 -11.642 7.835 1.00 0.00 N ATOM 501 CA ARG A 36 9.948 -12.855 7.082 1.00 0.00 C ATOM 502 C ARG A 36 10.287 -14.009 8.021 1.00 0.00 C ATOM 503 O ARG A 36 10.262 -15.174 7.624 1.00 0.00 O ATOM 504 CB ARG A 36 11.111 -12.610 6.118 1.00 0.00 C ATOM 505 CG ARG A 36 12.388 -12.157 6.806 1.00 0.00 C ATOM 506 CD ARG A 36 13.597 -12.315 5.897 1.00 0.00 C ATOM 507 NE ARG A 36 13.878 -13.717 5.600 1.00 0.00 N ATOM 508 CZ ARG A 36 15.027 -14.143 5.087 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.996 -13.280 4.816 1.00 0.00 N ATOM 510 NH2 ARG A 36 15.208 -15.435 4.844 1.00 0.00 N ATOM 0 H ARG A 36 10.217 -10.834 7.574 1.00 0.00 H new ATOM 0 HA ARG A 36 9.060 -13.124 6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.312 -13.527 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.814 -11.856 5.389 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.291 -11.114 7.106 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.538 -12.737 7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.424 -11.775 4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.468 -11.863 6.371 1.00 0.00 H new ATOM 0 HE ARG A 36 13.153 -14.407 5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.860 -12.286 5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.877 -13.610 4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.465 -16.102 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.091 -15.761 4.450 1.00 0.00 H new ATOM 524 N ASP A 37 10.604 -13.676 9.268 1.00 0.00 N ATOM 525 CA ASP A 37 10.947 -14.685 10.264 1.00 0.00 C ATOM 526 C ASP A 37 9.960 -14.658 11.427 1.00 0.00 C ATOM 527 O ASP A 37 9.733 -15.672 12.085 1.00 0.00 O ATOM 528 CB ASP A 37 12.369 -14.459 10.780 1.00 0.00 C ATOM 529 CG ASP A 37 13.423 -14.953 9.809 1.00 0.00 C ATOM 530 OD1 ASP A 37 13.340 -14.599 8.614 1.00 0.00 O ATOM 531 OD2 ASP A 37 14.330 -15.694 10.243 1.00 0.00 O ATOM 0 H ASP A 37 10.631 -12.716 9.613 1.00 0.00 H new ATOM 0 HA ASP A 37 10.893 -15.664 9.788 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.520 -13.396 10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.491 -14.970 11.735 1.00 0.00 H new ATOM 536 N ASN A 38 9.377 -13.489 11.675 1.00 0.00 N ATOM 537 CA ASN A 38 8.416 -13.329 12.760 1.00 0.00 C ATOM 538 C ASN A 38 7.172 -12.589 12.279 1.00 0.00 C ATOM 539 O ASN A 38 6.871 -11.479 12.720 1.00 0.00 O ATOM 540 CB ASN A 38 9.054 -12.574 13.927 1.00 0.00 C ATOM 541 CG ASN A 38 8.145 -12.510 15.140 1.00 0.00 C ATOM 542 OD1 ASN A 38 7.190 -13.278 15.255 1.00 0.00 O ATOM 543 ND2 ASN A 38 8.441 -11.592 16.053 1.00 0.00 N ATOM 0 H ASN A 38 9.554 -12.639 11.139 1.00 0.00 H new ATOM 0 HA ASN A 38 8.118 -14.321 13.098 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.990 -13.060 14.203 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.303 -11.562 13.609 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.867 -11.503 16.891 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.243 -10.976 15.916 1.00 0.00 H new ATOM 550 N PRO A 39 6.430 -13.216 11.354 1.00 0.00 N ATOM 551 CA PRO A 39 5.206 -12.635 10.794 1.00 0.00 C ATOM 552 C PRO A 39 4.071 -12.584 11.811 1.00 0.00 C ATOM 553 O PRO A 39 3.258 -13.506 11.896 1.00 0.00 O ATOM 554 CB PRO A 39 4.854 -13.586 9.648 1.00 0.00 C ATOM 555 CG PRO A 39 5.475 -14.886 10.030 1.00 0.00 C ATOM 556 CD PRO A 39 6.729 -14.540 10.784 1.00 0.00 C ATOM 0 HA PRO A 39 5.352 -11.602 10.479 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.775 -13.682 9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.247 -13.224 8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.798 -15.475 10.648 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.703 -15.484 9.148 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.945 -15.273 11.562 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.597 -14.507 10.126 1.00 0.00 H new ATOM 564 N HIS A 40 4.020 -11.502 12.581 1.00 0.00 N ATOM 565 CA HIS A 40 2.983 -11.331 13.592 1.00 0.00 C ATOM 566 C HIS A 40 1.599 -11.580 12.999 1.00 0.00 C ATOM 567 O HIS A 40 0.761 -12.242 13.610 1.00 0.00 O ATOM 568 CB HIS A 40 3.049 -9.924 14.188 1.00 0.00 C ATOM 569 CG HIS A 40 2.005 -9.665 15.230 1.00 0.00 C ATOM 570 ND1 HIS A 40 0.663 -9.909 15.027 1.00 0.00 N ATOM 571 CD2 HIS A 40 2.111 -9.182 16.490 1.00 0.00 C ATOM 572 CE1 HIS A 40 -0.011 -9.586 16.117 1.00 0.00 C ATOM 573 NE2 HIS A 40 0.845 -9.143 17.020 1.00 0.00 N ATOM 0 H HIS A 40 4.685 -10.730 12.524 1.00 0.00 H new ATOM 0 HA HIS A 40 3.157 -12.061 14.382 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.035 -9.770 14.627 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.940 -9.193 13.387 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.022 -8.883 16.986 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.080 -9.670 16.247 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.605 -8.824 17.958 1.00 0.00 H new ATOM 582 N PHE A 41 1.368 -11.045 11.805 1.00 0.00 N ATOM 583 CA PHE A 41 0.085 -11.208 11.130 1.00 0.00 C ATOM 584 C PHE A 41 -0.559 -12.540 11.500 1.00 0.00 C ATOM 585 O PHE A 41 -0.181 -13.590 10.981 1.00 0.00 O ATOM 586 CB PHE A 41 0.269 -11.122 9.613 1.00 0.00 C ATOM 587 CG PHE A 41 -0.960 -10.655 8.886 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.107 -11.432 8.869 1.00 0.00 C ATOM 589 CD2 PHE A 41 -0.968 -9.441 8.219 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.240 -11.006 8.202 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.098 -9.009 7.550 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.235 -9.793 7.540 1.00 0.00 C ATOM 0 H PHE A 41 2.052 -10.495 11.285 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.574 -10.403 11.456 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.092 -10.442 9.393 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.555 -12.103 9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.116 -12.382 9.383 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.081 -8.825 8.222 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.128 -11.620 8.198 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.092 -8.059 7.036 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.118 -9.459 7.016 1.00 0.00 H new ATOM 602 N GLU A 42 -1.533 -12.489 12.403 1.00 0.00 N ATOM 603 CA GLU A 42 -2.229 -13.692 12.845 1.00 0.00 C ATOM 604 C GLU A 42 -2.293 -14.725 11.724 1.00 0.00 C ATOM 605 O GLU A 42 -1.834 -15.856 11.881 1.00 0.00 O ATOM 606 CB GLU A 42 -3.643 -13.346 13.316 1.00 0.00 C ATOM 607 CG GLU A 42 -4.130 -14.211 14.467 1.00 0.00 C ATOM 608 CD GLU A 42 -5.640 -14.350 14.494 1.00 0.00 C ATOM 609 OE1 GLU A 42 -6.194 -14.987 13.574 1.00 0.00 O ATOM 610 OE2 GLU A 42 -6.266 -13.822 15.436 1.00 0.00 O ATOM 0 H GLU A 42 -1.858 -11.628 12.843 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.671 -14.119 13.678 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.669 -12.300 13.622 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.332 -13.450 12.478 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.679 -15.200 14.389 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.792 -13.780 15.409 1.00 0.00 H new ATOM 617 N ASN A 43 -2.867 -14.328 10.593 1.00 0.00 N ATOM 618 CA ASN A 43 -2.993 -15.220 9.445 1.00 0.00 C ATOM 619 C ASN A 43 -1.637 -15.800 9.056 1.00 0.00 C ATOM 620 O ASN A 43 -1.435 -17.013 9.093 1.00 0.00 O ATOM 621 CB ASN A 43 -3.600 -14.472 8.256 1.00 0.00 C ATOM 622 CG ASN A 43 -4.247 -15.408 7.254 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.965 -16.336 7.628 1.00 0.00 O ATOM 624 ND2 ASN A 43 -3.994 -15.169 5.972 1.00 0.00 N ATOM 0 H ASN A 43 -3.252 -13.395 10.446 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.653 -16.041 9.725 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.343 -13.762 8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.822 -13.893 7.759 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.401 -15.766 5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.393 -14.388 5.708 1.00 0.00 H new ATOM 631 N GLY A 44 -0.708 -14.924 8.684 1.00 0.00 N ATOM 632 CA GLY A 44 0.617 -15.368 8.294 1.00 0.00 C ATOM 633 C GLY A 44 1.048 -14.801 6.956 1.00 0.00 C ATOM 634 O GLY A 44 1.088 -15.517 5.956 1.00 0.00 O ATOM 0 H GLY A 44 -0.850 -13.915 8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.335 -15.073 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.632 -16.457 8.246 1.00 0.00 H new ATOM 638 N GLU A 45 1.370 -13.512 6.937 1.00 0.00 N ATOM 639 CA GLU A 45 1.798 -12.849 5.711 1.00 0.00 C ATOM 640 C GLU A 45 3.020 -11.972 5.964 1.00 0.00 C ATOM 641 O GLU A 45 2.900 -10.764 6.171 1.00 0.00 O ATOM 642 CB GLU A 45 0.659 -12.003 5.138 1.00 0.00 C ATOM 643 CG GLU A 45 0.873 -11.594 3.691 1.00 0.00 C ATOM 644 CD GLU A 45 -0.409 -11.151 3.013 1.00 0.00 C ATOM 645 OE1 GLU A 45 -0.841 -10.004 3.253 1.00 0.00 O ATOM 646 OE2 GLU A 45 -0.982 -11.952 2.244 1.00 0.00 O ATOM 0 H GLU A 45 1.343 -12.906 7.757 1.00 0.00 H new ATOM 0 HA GLU A 45 2.069 -13.619 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.273 -12.564 5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.542 -11.106 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.600 -10.783 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.300 -12.432 3.140 1.00 0.00 H new ATOM 653 N THR A 46 4.198 -12.589 5.947 1.00 0.00 N ATOM 654 CA THR A 46 5.443 -11.866 6.176 1.00 0.00 C ATOM 655 C THR A 46 5.359 -10.442 5.637 1.00 0.00 C ATOM 656 O THR A 46 5.818 -9.498 6.279 1.00 0.00 O ATOM 657 CB THR A 46 6.637 -12.582 5.519 1.00 0.00 C ATOM 658 OG1 THR A 46 6.420 -12.703 4.109 1.00 0.00 O ATOM 659 CG2 THR A 46 6.842 -13.962 6.126 1.00 0.00 C ATOM 0 H THR A 46 4.316 -13.588 5.777 1.00 0.00 H new ATOM 0 HA THR A 46 5.597 -11.835 7.255 1.00 0.00 H new ATOM 0 HB THR A 46 7.532 -11.987 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.185 -13.158 3.698 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.691 -14.448 5.646 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.036 -13.864 7.194 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.946 -14.563 5.974 1.00 0.00 H new ATOM 667 N SER A 47 4.770 -10.296 4.455 1.00 0.00 N ATOM 668 CA SER A 47 4.629 -8.986 3.828 1.00 0.00 C ATOM 669 C SER A 47 4.296 -7.920 4.867 1.00 0.00 C ATOM 670 O SER A 47 3.389 -8.093 5.682 1.00 0.00 O ATOM 671 CB SER A 47 3.540 -9.026 2.755 1.00 0.00 C ATOM 672 OG SER A 47 3.658 -10.187 1.951 1.00 0.00 O ATOM 0 H SER A 47 4.383 -11.068 3.912 1.00 0.00 H new ATOM 0 HA SER A 47 5.580 -8.729 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.558 -9.006 3.228 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.610 -8.137 2.128 1.00 0.00 H new ATOM 0 HG SER A 47 2.949 -10.190 1.274 1.00 0.00 H new ATOM 678 N ILE A 48 5.037 -6.817 4.832 1.00 0.00 N ATOM 679 CA ILE A 48 4.820 -5.722 5.769 1.00 0.00 C ATOM 680 C ILE A 48 3.488 -5.029 5.506 1.00 0.00 C ATOM 681 O ILE A 48 3.092 -4.836 4.356 1.00 0.00 O ATOM 682 CB ILE A 48 5.952 -4.681 5.689 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.315 -5.370 5.776 1.00 0.00 C ATOM 684 CG2 ILE A 48 5.802 -3.649 6.797 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.600 -5.977 7.131 1.00 0.00 C ATOM 0 H ILE A 48 5.792 -6.658 4.165 1.00 0.00 H new ATOM 0 HA ILE A 48 4.808 -6.159 6.768 1.00 0.00 H new ATOM 0 HB ILE A 48 5.886 -4.167 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.367 -6.152 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.095 -4.646 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.609 -2.920 6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.844 -3.140 6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.845 -4.147 7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.583 -6.448 7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.581 -5.196 7.891 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.842 -6.725 7.361 1.00 0.00 H new ATOM 697 N VAL A 49 2.799 -4.654 6.580 1.00 0.00 N ATOM 698 CA VAL A 49 1.512 -3.979 6.466 1.00 0.00 C ATOM 699 C VAL A 49 1.309 -2.987 7.606 1.00 0.00 C ATOM 700 O VAL A 49 1.662 -3.264 8.753 1.00 0.00 O ATOM 701 CB VAL A 49 0.348 -4.987 6.463 1.00 0.00 C ATOM 702 CG1 VAL A 49 -0.059 -5.330 5.038 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.729 -6.242 7.234 1.00 0.00 C ATOM 0 H VAL A 49 3.111 -4.807 7.539 1.00 0.00 H new ATOM 0 HA VAL A 49 1.519 -3.441 5.518 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.508 -4.529 6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.883 -6.044 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.376 -4.424 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.789 -5.769 4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.105 -6.944 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.599 -6.705 6.769 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.966 -5.978 8.265 1.00 0.00 H new ATOM 713 N ILE A 50 0.737 -1.832 7.283 1.00 0.00 N ATOM 714 CA ILE A 50 0.485 -0.800 8.281 1.00 0.00 C ATOM 715 C ILE A 50 -0.750 -1.130 9.113 1.00 0.00 C ATOM 716 O ILE A 50 -1.878 -0.858 8.703 1.00 0.00 O ATOM 717 CB ILE A 50 0.295 0.581 7.626 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.570 1.001 6.892 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.084 1.616 8.675 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.710 1.363 7.818 1.00 0.00 C ATOM 0 H ILE A 50 0.439 -1.587 6.338 1.00 0.00 H new ATOM 0 HA ILE A 50 1.360 -0.768 8.931 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.515 0.515 6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.888 0.188 6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.347 1.855 6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.215 2.587 8.197 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.016 1.320 9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.707 1.683 9.422 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.580 1.650 7.228 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.411 2.196 8.454 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.961 0.504 8.440 1.00 0.00 H new ATOM 732 N SER A 51 -0.527 -1.715 10.285 1.00 0.00 N ATOM 733 CA SER A 51 -1.622 -2.084 11.175 1.00 0.00 C ATOM 734 C SER A 51 -1.992 -0.922 12.092 1.00 0.00 C ATOM 735 O SER A 51 -2.608 -1.115 13.140 1.00 0.00 O ATOM 736 CB SER A 51 -1.238 -3.306 12.012 1.00 0.00 C ATOM 737 OG SER A 51 -2.382 -3.906 12.593 1.00 0.00 O ATOM 0 H SER A 51 0.401 -1.944 10.641 1.00 0.00 H new ATOM 0 HA SER A 51 -2.488 -2.330 10.561 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.721 -4.033 11.385 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.541 -3.009 12.796 1.00 0.00 H new ATOM 0 HG SER A 51 -2.972 -3.209 12.950 1.00 0.00 H new ATOM 743 N ASP A 52 -1.610 0.285 11.689 1.00 0.00 N ATOM 744 CA ASP A 52 -1.902 1.480 12.473 1.00 0.00 C ATOM 745 C ASP A 52 -1.715 2.740 11.633 1.00 0.00 C ATOM 746 O ASP A 52 -0.633 2.988 11.099 1.00 0.00 O ATOM 747 CB ASP A 52 -1.002 1.538 13.708 1.00 0.00 C ATOM 748 CG ASP A 52 -1.499 2.531 14.741 1.00 0.00 C ATOM 749 OD1 ASP A 52 -2.107 3.547 14.343 1.00 0.00 O ATOM 750 OD2 ASP A 52 -1.281 2.291 15.946 1.00 0.00 O ATOM 0 H ASP A 52 -1.098 0.462 10.825 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.943 1.429 12.793 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.945 0.547 14.159 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.009 1.809 13.405 1.00 0.00 H new ATOM 755 N VAL A 53 -2.776 3.532 11.519 1.00 0.00 N ATOM 756 CA VAL A 53 -2.729 4.766 10.743 1.00 0.00 C ATOM 757 C VAL A 53 -3.373 5.918 11.506 1.00 0.00 C ATOM 758 O VAL A 53 -4.586 6.122 11.438 1.00 0.00 O ATOM 759 CB VAL A 53 -3.438 4.603 9.386 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.525 5.940 8.665 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.719 3.572 8.530 1.00 0.00 C ATOM 0 H VAL A 53 -3.679 3.341 11.954 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.677 4.992 10.569 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.453 4.248 9.566 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.029 5.805 7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.088 6.646 9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.521 6.328 8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.234 3.470 7.575 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.693 3.895 8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.715 2.611 9.045 1.00 0.00 H new ATOM 771 N LEU A 54 -2.553 6.671 12.232 1.00 0.00 N ATOM 772 CA LEU A 54 -3.042 7.805 13.008 1.00 0.00 C ATOM 773 C LEU A 54 -4.136 8.551 12.252 1.00 0.00 C ATOM 774 O LEU A 54 -3.904 9.144 11.198 1.00 0.00 O ATOM 775 CB LEU A 54 -1.891 8.759 13.335 1.00 0.00 C ATOM 776 CG LEU A 54 -2.002 9.516 14.658 1.00 0.00 C ATOM 777 CD1 LEU A 54 -1.964 8.550 15.832 1.00 0.00 C ATOM 778 CD2 LEU A 54 -0.890 10.548 14.777 1.00 0.00 C ATOM 0 H LEU A 54 -1.547 6.516 12.299 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.464 7.422 13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.963 8.187 13.343 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.809 9.488 12.528 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.959 10.038 14.676 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.044 9.108 16.765 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.796 7.851 15.755 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.024 7.998 15.819 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.985 11.077 15.725 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.077 10.047 14.736 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.965 11.260 13.955 1.00 0.00 H new ATOM 790 N PRO A 55 -5.359 8.525 12.802 1.00 0.00 N ATOM 791 CA PRO A 55 -6.514 9.197 12.197 1.00 0.00 C ATOM 792 C PRO A 55 -6.406 10.716 12.272 1.00 0.00 C ATOM 793 O PRO A 55 -7.153 11.434 11.610 1.00 0.00 O ATOM 794 CB PRO A 55 -7.693 8.702 13.040 1.00 0.00 C ATOM 795 CG PRO A 55 -7.094 8.343 14.356 1.00 0.00 C ATOM 796 CD PRO A 55 -5.709 7.839 14.057 1.00 0.00 C ATOM 0 HA PRO A 55 -6.607 8.971 11.135 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.454 9.475 13.149 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.177 7.842 12.577 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.060 9.208 15.018 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.687 7.579 14.859 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.011 8.084 14.857 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.692 6.755 13.941 1.00 0.00 H new ATOM 804 N GLY A 56 -5.469 11.199 13.083 1.00 0.00 N ATOM 805 CA GLY A 56 -5.280 12.630 13.229 1.00 0.00 C ATOM 806 C GLY A 56 -3.865 13.065 12.903 1.00 0.00 C ATOM 807 O GLY A 56 -3.447 14.163 13.265 1.00 0.00 O ATOM 0 H GLY A 56 -4.838 10.624 13.641 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.977 13.154 12.575 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.520 12.923 14.251 1.00 0.00 H new ATOM 811 N GLY A 57 -3.125 12.198 12.218 1.00 0.00 N ATOM 812 CA GLY A 57 -1.755 12.516 11.857 1.00 0.00 C ATOM 813 C GLY A 57 -1.566 12.643 10.358 1.00 0.00 C ATOM 814 O GLY A 57 -2.524 12.795 9.600 1.00 0.00 O ATOM 0 H GLY A 57 -3.449 11.282 11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.463 13.450 12.337 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.092 11.740 12.239 1.00 0.00 H new ATOM 818 N PRO A 58 -0.303 12.583 9.910 1.00 0.00 N ATOM 819 CA PRO A 58 0.039 12.691 8.489 1.00 0.00 C ATOM 820 C PRO A 58 -0.406 11.471 7.691 1.00 0.00 C ATOM 821 O PRO A 58 -0.699 11.570 6.500 1.00 0.00 O ATOM 822 CB PRO A 58 1.566 12.796 8.499 1.00 0.00 C ATOM 823 CG PRO A 58 1.984 12.129 9.764 1.00 0.00 C ATOM 824 CD PRO A 58 0.889 12.403 10.757 1.00 0.00 C ATOM 0 HA PRO A 58 -0.457 13.537 8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.002 12.304 7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.891 13.836 8.474 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.117 11.057 9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.938 12.522 10.116 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.764 11.576 11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.098 13.293 11.351 1.00 0.00 H new ATOM 832 N ALA A 59 -0.456 10.321 8.355 1.00 0.00 N ATOM 833 CA ALA A 59 -0.868 9.082 7.708 1.00 0.00 C ATOM 834 C ALA A 59 -2.363 9.091 7.406 1.00 0.00 C ATOM 835 O ALA A 59 -2.811 8.502 6.422 1.00 0.00 O ATOM 836 CB ALA A 59 -0.511 7.887 8.579 1.00 0.00 C ATOM 0 H ALA A 59 -0.216 10.222 9.341 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.333 9.000 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.825 6.969 8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.567 7.863 8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.019 7.972 9.540 1.00 0.00 H new ATOM 842 N ASP A 60 -3.130 9.763 8.258 1.00 0.00 N ATOM 843 CA ASP A 60 -4.575 9.849 8.081 1.00 0.00 C ATOM 844 C ASP A 60 -4.922 10.426 6.713 1.00 0.00 C ATOM 845 O ASP A 60 -5.081 11.637 6.560 1.00 0.00 O ATOM 846 CB ASP A 60 -5.194 10.710 9.184 1.00 0.00 C ATOM 847 CG ASP A 60 -6.421 11.463 8.710 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.291 10.835 8.070 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.512 12.679 8.978 1.00 0.00 O ATOM 0 H ASP A 60 -2.775 10.256 9.078 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.985 8.841 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.464 10.075 10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.452 11.422 9.545 1.00 0.00 H new ATOM 854 N GLY A 61 -5.036 9.551 5.718 1.00 0.00 N ATOM 855 CA GLY A 61 -5.362 9.993 4.375 1.00 0.00 C ATOM 856 C GLY A 61 -4.383 9.474 3.341 1.00 0.00 C ATOM 857 O GLY A 61 -4.783 8.869 2.345 1.00 0.00 O ATOM 0 H GLY A 61 -4.908 8.544 5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.367 9.658 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.372 11.083 4.347 1.00 0.00 H new ATOM 861 N LEU A 62 -3.097 9.711 3.574 1.00 0.00 N ATOM 862 CA LEU A 62 -2.057 9.265 2.653 1.00 0.00 C ATOM 863 C LEU A 62 -2.026 7.743 2.564 1.00 0.00 C ATOM 864 O LEU A 62 -1.930 7.176 1.475 1.00 0.00 O ATOM 865 CB LEU A 62 -0.692 9.790 3.102 1.00 0.00 C ATOM 866 CG LEU A 62 -0.525 11.309 3.106 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.803 11.699 3.738 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.626 11.861 1.691 1.00 0.00 C ATOM 0 H LEU A 62 -2.749 10.210 4.393 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.285 9.664 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.496 9.421 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.071 9.362 2.452 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.329 11.741 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.904 12.784 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.837 11.337 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.621 11.255 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.505 12.944 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.156 11.421 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.602 11.614 1.273 1.00 0.00 H new ATOM 880 N LEU A 63 -2.109 7.086 3.716 1.00 0.00 N ATOM 881 CA LEU A 63 -2.093 5.628 3.768 1.00 0.00 C ATOM 882 C LEU A 63 -3.244 5.101 4.618 1.00 0.00 C ATOM 883 O LEU A 63 -3.922 5.865 5.304 1.00 0.00 O ATOM 884 CB LEU A 63 -0.759 5.134 4.332 1.00 0.00 C ATOM 885 CG LEU A 63 0.483 5.462 3.502 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.747 5.118 4.276 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.449 4.719 2.175 1.00 0.00 C ATOM 0 H LEU A 63 -2.188 7.540 4.626 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.214 5.251 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.629 5.558 5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.816 4.052 4.452 1.00 0.00 H new ATOM 0 HG LEU A 63 0.487 6.532 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.621 5.358 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.776 5.695 5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.750 4.054 4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.340 4.964 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.421 3.645 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.438 5.014 1.615 1.00 0.00 H new ATOM 899 N GLN A 64 -3.457 3.790 4.569 1.00 0.00 N ATOM 900 CA GLN A 64 -4.526 3.161 5.336 1.00 0.00 C ATOM 901 C GLN A 64 -4.034 1.883 6.007 1.00 0.00 C ATOM 902 O GLN A 64 -2.892 1.469 5.813 1.00 0.00 O ATOM 903 CB GLN A 64 -5.717 2.848 4.429 1.00 0.00 C ATOM 904 CG GLN A 64 -5.749 1.409 3.940 1.00 0.00 C ATOM 905 CD GLN A 64 -6.967 1.109 3.088 1.00 0.00 C ATOM 906 OE1 GLN A 64 -7.738 2.007 2.749 1.00 0.00 O ATOM 907 NE2 GLN A 64 -7.146 -0.159 2.737 1.00 0.00 N ATOM 0 H GLN A 64 -2.904 3.143 4.007 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.842 3.859 6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.640 3.060 4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.692 3.515 3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.847 1.205 3.362 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.736 0.737 4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.482 -0.871 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.948 -0.421 2.164 1.00 0.00 H new ATOM 916 N GLU A 65 -4.905 1.263 6.798 1.00 0.00 N ATOM 917 CA GLU A 65 -4.557 0.032 7.498 1.00 0.00 C ATOM 918 C GLU A 65 -4.330 -1.110 6.512 1.00 0.00 C ATOM 919 O GLU A 65 -4.971 -1.176 5.464 1.00 0.00 O ATOM 920 CB GLU A 65 -5.661 -0.346 8.488 1.00 0.00 C ATOM 921 CG GLU A 65 -5.146 -1.045 9.736 1.00 0.00 C ATOM 922 CD GLU A 65 -6.215 -1.873 10.424 1.00 0.00 C ATOM 923 OE1 GLU A 65 -7.121 -2.371 9.723 1.00 0.00 O ATOM 924 OE2 GLU A 65 -6.146 -2.021 11.661 1.00 0.00 O ATOM 0 H GLU A 65 -5.855 1.593 6.970 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.630 0.205 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.198 0.556 8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.379 -0.996 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.309 -1.690 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.764 -0.300 10.434 1.00 0.00 H new ATOM 931 N ASN A 66 -3.412 -2.007 6.857 1.00 0.00 N ATOM 932 CA ASN A 66 -3.098 -3.147 6.002 1.00 0.00 C ATOM 933 C ASN A 66 -2.490 -2.685 4.681 1.00 0.00 C ATOM 934 O ASN A 66 -2.808 -3.220 3.619 1.00 0.00 O ATOM 935 CB ASN A 66 -4.358 -3.973 5.735 1.00 0.00 C ATOM 936 CG ASN A 66 -4.551 -5.079 6.755 1.00 0.00 C ATOM 937 OD1 ASN A 66 -4.333 -6.254 6.461 1.00 0.00 O ATOM 938 ND2 ASN A 66 -4.961 -4.706 7.962 1.00 0.00 N ATOM 0 H ASN A 66 -2.873 -1.967 7.722 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.367 -3.768 6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.228 -3.317 5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.299 -4.409 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.107 -5.406 8.690 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.129 -3.720 8.161 1.00 0.00 H new ATOM 945 N ASP A 67 -1.615 -1.688 4.755 1.00 0.00 N ATOM 946 CA ASP A 67 -0.961 -1.155 3.566 1.00 0.00 C ATOM 947 C ASP A 67 0.210 -2.038 3.148 1.00 0.00 C ATOM 948 O ASP A 67 1.338 -1.849 3.605 1.00 0.00 O ATOM 949 CB ASP A 67 -0.473 0.272 3.823 1.00 0.00 C ATOM 950 CG ASP A 67 -1.487 1.316 3.397 1.00 0.00 C ATOM 951 OD1 ASP A 67 -2.700 1.027 3.468 1.00 0.00 O ATOM 952 OD2 ASP A 67 -1.068 2.421 2.994 1.00 0.00 O ATOM 0 H ASP A 67 -1.342 -1.233 5.626 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.690 -1.141 2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.255 0.393 4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.461 0.436 3.285 1.00 0.00 H new ATOM 957 N ARG A 68 -0.065 -3.004 2.277 1.00 0.00 N ATOM 958 CA ARG A 68 0.965 -3.918 1.799 1.00 0.00 C ATOM 959 C ARG A 68 2.166 -3.148 1.256 1.00 0.00 C ATOM 960 O ARG A 68 2.255 -2.880 0.058 1.00 0.00 O ATOM 961 CB ARG A 68 0.400 -4.834 0.712 1.00 0.00 C ATOM 962 CG ARG A 68 1.030 -6.217 0.692 1.00 0.00 C ATOM 963 CD ARG A 68 0.285 -7.182 1.600 1.00 0.00 C ATOM 964 NE ARG A 68 0.617 -8.574 1.309 1.00 0.00 N ATOM 965 CZ ARG A 68 0.236 -9.205 0.204 1.00 0.00 C ATOM 966 NH1 ARG A 68 -0.485 -8.571 -0.710 1.00 0.00 N ATOM 967 NH2 ARG A 68 0.578 -10.473 0.011 1.00 0.00 N ATOM 0 H ARG A 68 -0.993 -3.174 1.888 1.00 0.00 H new ATOM 0 HA ARG A 68 1.295 -4.526 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.675 -4.936 0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.547 -4.363 -0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.031 -6.603 -0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.071 -6.148 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.527 -6.961 2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.789 -7.033 1.484 1.00 0.00 H new ATOM 0 HE ARG A 68 1.172 -9.090 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.749 -7.596 -0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.776 -9.058 -1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.134 -10.964 0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.285 -10.957 -0.838 1.00 0.00 H new ATOM 981 N VAL A 69 3.087 -2.794 2.147 1.00 0.00 N ATOM 982 CA VAL A 69 4.283 -2.056 1.758 1.00 0.00 C ATOM 983 C VAL A 69 5.137 -2.865 0.789 1.00 0.00 C ATOM 984 O VAL A 69 5.564 -3.977 1.100 1.00 0.00 O ATOM 985 CB VAL A 69 5.134 -1.680 2.985 1.00 0.00 C ATOM 986 CG1 VAL A 69 6.300 -0.794 2.575 1.00 0.00 C ATOM 987 CG2 VAL A 69 4.277 -0.993 4.038 1.00 0.00 C ATOM 0 H VAL A 69 3.028 -3.006 3.143 1.00 0.00 H new ATOM 0 HA VAL A 69 3.946 -1.144 1.266 1.00 0.00 H new ATOM 0 HB VAL A 69 5.538 -2.595 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.890 -0.539 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.927 -1.326 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.920 0.118 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.895 -0.734 4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.842 -0.086 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.479 -1.666 4.353 1.00 0.00 H new ATOM 997 N VAL A 70 5.384 -2.299 -0.388 1.00 0.00 N ATOM 998 CA VAL A 70 6.190 -2.967 -1.404 1.00 0.00 C ATOM 999 C VAL A 70 7.604 -2.398 -1.445 1.00 0.00 C ATOM 1000 O VAL A 70 8.584 -3.142 -1.405 1.00 0.00 O ATOM 1001 CB VAL A 70 5.554 -2.835 -2.801 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.141 -3.865 -3.754 1.00 0.00 C ATOM 1003 CG2 VAL A 70 4.042 -2.977 -2.713 1.00 0.00 C ATOM 0 H VAL A 70 5.038 -1.380 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 70 6.234 -4.021 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 70 5.780 -1.843 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.680 -3.757 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.217 -3.710 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.948 -4.867 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.609 -2.881 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.792 -3.955 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.640 -2.197 -2.066 1.00 0.00 H new ATOM 1013 N MET A 71 7.702 -1.075 -1.524 1.00 0.00 N ATOM 1014 CA MET A 71 8.997 -0.407 -1.569 1.00 0.00 C ATOM 1015 C MET A 71 9.009 0.817 -0.659 1.00 0.00 C ATOM 1016 O MET A 71 7.974 1.446 -0.434 1.00 0.00 O ATOM 1017 CB MET A 71 9.332 0.007 -3.003 1.00 0.00 C ATOM 1018 CG MET A 71 10.376 1.109 -3.090 1.00 0.00 C ATOM 1019 SD MET A 71 11.145 1.211 -4.718 1.00 0.00 S ATOM 1020 CE MET A 71 12.268 -0.183 -4.649 1.00 0.00 C ATOM 0 H MET A 71 6.901 -0.445 -1.558 1.00 0.00 H new ATOM 0 HA MET A 71 9.752 -1.109 -1.215 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.690 -0.865 -3.550 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.420 0.342 -3.498 1.00 0.00 H new ATOM 0 HG2 MET A 71 9.910 2.065 -2.852 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.146 0.934 -2.339 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.256 0.129 -4.986 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.333 -0.548 -3.624 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.899 -0.980 -5.295 1.00 0.00 H new ATOM 1030 N VAL A 72 10.185 1.149 -0.136 1.00 0.00 N ATOM 1031 CA VAL A 72 10.331 2.298 0.750 1.00 0.00 C ATOM 1032 C VAL A 72 11.590 3.091 0.418 1.00 0.00 C ATOM 1033 O VAL A 72 12.705 2.639 0.671 1.00 0.00 O ATOM 1034 CB VAL A 72 10.385 1.865 2.227 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.823 3.024 3.108 1.00 0.00 C ATOM 1036 CG2 VAL A 72 9.033 1.327 2.673 1.00 0.00 C ATOM 0 H VAL A 72 11.051 0.639 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 72 9.456 2.929 0.596 1.00 0.00 H new ATOM 0 HB VAL A 72 11.120 1.067 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.855 2.699 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.814 3.359 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.114 3.846 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.088 1.025 3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.277 2.104 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.764 0.466 2.061 1.00 0.00 H new ATOM 1046 N ASN A 73 11.403 4.278 -0.150 1.00 0.00 N ATOM 1047 CA ASN A 73 12.524 5.135 -0.517 1.00 0.00 C ATOM 1048 C ASN A 73 13.525 4.379 -1.386 1.00 0.00 C ATOM 1049 O ASN A 73 14.727 4.631 -1.329 1.00 0.00 O ATOM 1050 CB ASN A 73 13.220 5.665 0.738 1.00 0.00 C ATOM 1051 CG ASN A 73 12.567 6.925 1.273 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.805 7.589 0.569 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.863 7.260 2.523 1.00 0.00 N ATOM 0 H ASN A 73 10.486 4.668 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 73 12.134 5.976 -1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.206 4.896 1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.266 5.870 0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.454 8.098 2.937 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.500 6.680 3.069 1.00 0.00 H new ATOM 1060 N GLY A 74 13.018 3.452 -2.193 1.00 0.00 N ATOM 1061 CA GLY A 74 13.880 2.674 -3.063 1.00 0.00 C ATOM 1062 C GLY A 74 14.400 1.418 -2.392 1.00 0.00 C ATOM 1063 O GLY A 74 15.459 0.903 -2.755 1.00 0.00 O ATOM 0 H GLY A 74 12.026 3.226 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.330 2.400 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.723 3.289 -3.379 1.00 0.00 H new ATOM 1067 N THR A 75 13.656 0.923 -1.408 1.00 0.00 N ATOM 1068 CA THR A 75 14.049 -0.278 -0.683 1.00 0.00 C ATOM 1069 C THR A 75 12.924 -1.307 -0.672 1.00 0.00 C ATOM 1070 O THR A 75 11.782 -1.009 -0.321 1.00 0.00 O ATOM 1071 CB THR A 75 14.446 0.047 0.770 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.497 1.020 0.784 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.900 -1.208 1.500 1.00 0.00 C ATOM 0 H THR A 75 12.777 1.336 -1.095 1.00 0.00 H new ATOM 0 HA THR A 75 14.912 -0.693 -1.204 1.00 0.00 H new ATOM 0 HB THR A 75 13.572 0.449 1.282 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.530 1.454 1.662 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.175 -0.954 2.524 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.088 -1.935 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.762 -1.635 0.988 1.00 0.00 H new ATOM 1081 N PRO A 76 13.251 -2.547 -1.063 1.00 0.00 N ATOM 1082 CA PRO A 76 12.281 -3.646 -1.106 1.00 0.00 C ATOM 1083 C PRO A 76 11.850 -4.093 0.287 1.00 0.00 C ATOM 1084 O PRO A 76 12.683 -4.455 1.118 1.00 0.00 O ATOM 1085 CB PRO A 76 13.045 -4.766 -1.815 1.00 0.00 C ATOM 1086 CG PRO A 76 14.481 -4.472 -1.551 1.00 0.00 C ATOM 1087 CD PRO A 76 14.593 -2.973 -1.494 1.00 0.00 C ATOM 0 HA PRO A 76 11.359 -3.356 -1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.763 -5.745 -1.426 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.833 -4.775 -2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.806 -4.924 -0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.114 -4.881 -2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.361 -2.654 -0.790 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.856 -2.552 -2.465 1.00 0.00 H new ATOM 1095 N MET A 77 10.545 -4.066 0.535 1.00 0.00 N ATOM 1096 CA MET A 77 10.005 -4.471 1.828 1.00 0.00 C ATOM 1097 C MET A 77 9.353 -5.847 1.738 1.00 0.00 C ATOM 1098 O MET A 77 8.659 -6.276 2.659 1.00 0.00 O ATOM 1099 CB MET A 77 8.986 -3.442 2.324 1.00 0.00 C ATOM 1100 CG MET A 77 9.457 -2.004 2.183 1.00 0.00 C ATOM 1101 SD MET A 77 10.396 -1.437 3.615 1.00 0.00 S ATOM 1102 CE MET A 77 12.073 -1.622 3.014 1.00 0.00 C ATOM 0 H MET A 77 9.842 -3.768 -0.141 1.00 0.00 H new ATOM 0 HA MET A 77 10.831 -4.526 2.538 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.056 -3.567 1.769 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.761 -3.641 3.372 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.075 -1.914 1.289 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.593 -1.355 2.040 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.768 -1.571 3.852 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.177 -2.586 2.515 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.297 -0.822 2.308 1.00 0.00 H new ATOM 1112 N GLU A 78 9.580 -6.533 0.622 1.00 0.00 N ATOM 1113 CA GLU A 78 9.013 -7.860 0.413 1.00 0.00 C ATOM 1114 C GLU A 78 9.919 -8.938 0.999 1.00 0.00 C ATOM 1115 O GLU A 78 11.093 -9.039 0.641 1.00 0.00 O ATOM 1116 CB GLU A 78 8.797 -8.117 -1.080 1.00 0.00 C ATOM 1117 CG GLU A 78 10.036 -7.873 -1.925 1.00 0.00 C ATOM 1118 CD GLU A 78 9.932 -8.493 -3.305 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.765 -9.727 -3.390 1.00 0.00 O ATOM 1120 OE2 GLU A 78 10.019 -7.743 -4.300 1.00 0.00 O ATOM 0 H GLU A 78 10.152 -6.192 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 78 8.052 -7.900 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.470 -9.147 -1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.991 -7.476 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.198 -6.800 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.907 -8.281 -1.412 1.00 0.00 H new ATOM 1127 N ASP A 79 9.367 -9.739 1.903 1.00 0.00 N ATOM 1128 CA ASP A 79 10.124 -10.810 2.540 1.00 0.00 C ATOM 1129 C ASP A 79 11.266 -10.244 3.379 1.00 0.00 C ATOM 1130 O ASP A 79 12.392 -10.737 3.328 1.00 0.00 O ATOM 1131 CB ASP A 79 10.678 -11.770 1.485 1.00 0.00 C ATOM 1132 CG ASP A 79 10.809 -13.188 2.005 1.00 0.00 C ATOM 1133 OD1 ASP A 79 11.093 -13.355 3.210 1.00 0.00 O ATOM 1134 OD2 ASP A 79 10.627 -14.131 1.207 1.00 0.00 O ATOM 0 H ASP A 79 8.397 -9.667 2.211 1.00 0.00 H new ATOM 0 HA ASP A 79 9.449 -11.356 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.023 -11.765 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.654 -11.416 1.153 1.00 0.00 H new ATOM 1139 N VAL A 80 10.966 -9.204 4.151 1.00 0.00 N ATOM 1140 CA VAL A 80 11.967 -8.570 5.002 1.00 0.00 C ATOM 1141 C VAL A 80 11.538 -8.591 6.464 1.00 0.00 C ATOM 1142 O VAL A 80 10.363 -8.792 6.775 1.00 0.00 O ATOM 1143 CB VAL A 80 12.225 -7.113 4.574 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.679 -7.054 3.123 1.00 0.00 C ATOM 1145 CG2 VAL A 80 10.978 -6.267 4.786 1.00 0.00 C ATOM 0 H VAL A 80 10.039 -8.783 4.205 1.00 0.00 H new ATOM 0 HA VAL A 80 12.888 -9.142 4.889 1.00 0.00 H new ATOM 0 HB VAL A 80 13.023 -6.706 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.856 -6.017 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.600 -7.625 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.906 -7.478 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.178 -5.241 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.159 -6.671 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.703 -6.283 5.841 1.00 0.00 H new ATOM 1155 N LEU A 81 12.497 -8.381 7.359 1.00 0.00 N ATOM 1156 CA LEU A 81 12.219 -8.374 8.791 1.00 0.00 C ATOM 1157 C LEU A 81 11.451 -7.119 9.191 1.00 0.00 C ATOM 1158 O LEU A 81 11.627 -6.055 8.597 1.00 0.00 O ATOM 1159 CB LEU A 81 13.524 -8.462 9.585 1.00 0.00 C ATOM 1160 CG LEU A 81 14.204 -9.832 9.608 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.559 -9.743 10.294 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.318 -10.855 10.304 1.00 0.00 C ATOM 0 H LEU A 81 13.474 -8.213 7.118 1.00 0.00 H new ATOM 0 HA LEU A 81 11.602 -9.243 9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.226 -7.737 9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.322 -8.162 10.613 1.00 0.00 H new ATOM 0 HG LEU A 81 14.361 -10.157 8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.028 -10.727 10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.195 -9.041 9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.426 -9.397 11.319 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.817 -11.824 10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.130 -10.536 11.329 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.371 -10.939 9.771 1.00 0.00 H new ATOM 1174 N HIS A 82 10.599 -7.249 10.204 1.00 0.00 N ATOM 1175 CA HIS A 82 9.806 -6.124 10.686 1.00 0.00 C ATOM 1176 C HIS A 82 10.702 -4.944 11.048 1.00 0.00 C ATOM 1177 O HIS A 82 10.278 -3.790 10.992 1.00 0.00 O ATOM 1178 CB HIS A 82 8.976 -6.541 11.900 1.00 0.00 C ATOM 1179 CG HIS A 82 8.639 -5.404 12.814 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.410 -4.706 13.680 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.374 -4.863 12.908 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.606 -3.765 14.274 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.382 -3.880 13.791 1.00 0.00 N flip ATOM 0 H HIS A 82 10.441 -8.122 10.706 1.00 0.00 H new ATOM 0 HA HIS A 82 9.134 -5.815 9.885 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.052 -7.006 11.556 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.524 -7.298 12.462 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.511 -5.192 12.347 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.923 -3.047 15.016 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.580 -3.308 14.055 1.00 0.00 H new ATOM 1192 N SER A 83 11.942 -5.241 11.422 1.00 0.00 N ATOM 1193 CA SER A 83 12.897 -4.205 11.799 1.00 0.00 C ATOM 1194 C SER A 83 13.458 -3.508 10.563 1.00 0.00 C ATOM 1195 O SER A 83 13.711 -2.303 10.576 1.00 0.00 O ATOM 1196 CB SER A 83 14.037 -4.807 12.621 1.00 0.00 C ATOM 1197 OG SER A 83 15.024 -3.833 12.915 1.00 0.00 O ATOM 0 H SER A 83 12.309 -6.191 11.472 1.00 0.00 H new ATOM 0 HA SER A 83 12.373 -3.466 12.405 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.642 -5.220 13.549 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.489 -5.633 12.072 1.00 0.00 H new ATOM 0 HG SER A 83 15.741 -4.243 13.443 1.00 0.00 H new ATOM 1203 N PHE A 84 13.651 -4.276 9.495 1.00 0.00 N ATOM 1204 CA PHE A 84 14.184 -3.734 8.250 1.00 0.00 C ATOM 1205 C PHE A 84 13.223 -2.715 7.646 1.00 0.00 C ATOM 1206 O PHE A 84 13.636 -1.645 7.199 1.00 0.00 O ATOM 1207 CB PHE A 84 14.445 -4.862 7.249 1.00 0.00 C ATOM 1208 CG PHE A 84 15.043 -4.388 5.956 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.395 -4.095 5.868 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.254 -4.236 4.827 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.948 -3.659 4.679 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.802 -3.801 3.635 1.00 0.00 C ATOM 1213 CZ PHE A 84 16.151 -3.511 3.562 1.00 0.00 C ATOM 0 H PHE A 84 13.446 -5.275 9.467 1.00 0.00 H new ATOM 0 HA PHE A 84 15.125 -3.232 8.474 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.114 -5.593 7.703 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.507 -5.376 7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.024 -4.209 6.739 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.199 -4.460 4.879 1.00 0.00 H new ATOM 0 HE1 PHE A 84 18.003 -3.434 4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 84 14.177 -3.688 2.762 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.581 -3.169 2.632 1.00 0.00 H new ATOM 1223 N ALA A 85 11.938 -3.056 7.634 1.00 0.00 N ATOM 1224 CA ALA A 85 10.918 -2.171 7.086 1.00 0.00 C ATOM 1225 C ALA A 85 10.901 -0.833 7.817 1.00 0.00 C ATOM 1226 O ALA A 85 10.915 0.228 7.192 1.00 0.00 O ATOM 1227 CB ALA A 85 9.550 -2.832 7.162 1.00 0.00 C ATOM 0 H ALA A 85 11.579 -3.939 7.998 1.00 0.00 H new ATOM 0 HA ALA A 85 11.161 -1.981 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.798 -2.160 6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.562 -3.759 6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.309 -3.051 8.202 1.00 0.00 H new ATOM 1233 N VAL A 86 10.872 -0.889 9.145 1.00 0.00 N ATOM 1234 CA VAL A 86 10.854 0.319 9.961 1.00 0.00 C ATOM 1235 C VAL A 86 12.178 1.069 9.861 1.00 0.00 C ATOM 1236 O VAL A 86 12.200 2.293 9.737 1.00 0.00 O ATOM 1237 CB VAL A 86 10.572 -0.007 11.440 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.562 -1.038 11.958 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.617 1.259 12.282 1.00 0.00 C ATOM 0 H VAL A 86 10.860 -1.758 9.678 1.00 0.00 H new ATOM 0 HA VAL A 86 10.052 0.949 9.576 1.00 0.00 H new ATOM 0 HB VAL A 86 9.571 -0.431 11.516 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.347 -1.255 13.004 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.475 -1.953 11.372 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.575 -0.646 11.870 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.416 1.010 13.324 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.604 1.714 12.202 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.864 1.961 11.924 1.00 0.00 H new ATOM 1249 N GLN A 87 13.278 0.326 9.916 1.00 0.00 N ATOM 1250 CA GLN A 87 14.606 0.922 9.832 1.00 0.00 C ATOM 1251 C GLN A 87 14.636 2.042 8.797 1.00 0.00 C ATOM 1252 O GLN A 87 15.085 3.151 9.083 1.00 0.00 O ATOM 1253 CB GLN A 87 15.645 -0.144 9.478 1.00 0.00 C ATOM 1254 CG GLN A 87 17.080 0.347 9.580 1.00 0.00 C ATOM 1255 CD GLN A 87 18.042 -0.745 10.004 1.00 0.00 C ATOM 1256 OE1 GLN A 87 17.889 -1.906 9.621 1.00 0.00 O ATOM 1257 NE2 GLN A 87 19.041 -0.379 10.799 1.00 0.00 N ATOM 0 H GLN A 87 13.276 -0.689 10.018 1.00 0.00 H new ATOM 0 HA GLN A 87 14.848 1.346 10.806 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.515 -1.000 10.140 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.461 -0.495 8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.393 0.747 8.615 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.129 1.167 10.296 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.130 0.594 11.092 1.00 0.00 H new ATOM 0 HE22 GLN A 87 19.720 -1.071 11.117 1.00 0.00 H new ATOM 1266 N GLN A 88 14.156 1.742 7.594 1.00 0.00 N ATOM 1267 CA GLN A 88 14.129 2.724 6.517 1.00 0.00 C ATOM 1268 C GLN A 88 13.305 3.945 6.913 1.00 0.00 C ATOM 1269 O GLN A 88 13.604 5.068 6.505 1.00 0.00 O ATOM 1270 CB GLN A 88 13.556 2.100 5.243 1.00 0.00 C ATOM 1271 CG GLN A 88 14.225 0.791 4.854 1.00 0.00 C ATOM 1272 CD GLN A 88 15.644 0.986 4.358 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.874 1.648 3.345 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.605 0.409 5.070 1.00 0.00 N ATOM 0 H GLN A 88 13.781 0.828 7.341 1.00 0.00 H new ATOM 0 HA GLN A 88 15.153 3.045 6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.489 1.926 5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.660 2.810 4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.234 0.122 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.636 0.303 4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.369 -0.131 5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.579 0.505 4.784 1.00 0.00 H new ATOM 1283 N LEU A 89 12.267 3.718 7.711 1.00 0.00 N ATOM 1284 CA LEU A 89 11.399 4.800 8.163 1.00 0.00 C ATOM 1285 C LEU A 89 12.122 5.697 9.163 1.00 0.00 C ATOM 1286 O LEU A 89 12.097 6.922 9.044 1.00 0.00 O ATOM 1287 CB LEU A 89 10.129 4.231 8.797 1.00 0.00 C ATOM 1288 CG LEU A 89 9.383 3.178 7.976 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.161 2.679 8.732 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.981 3.744 6.622 1.00 0.00 C ATOM 0 H LEU A 89 12.006 2.795 8.058 1.00 0.00 H new ATOM 0 HA LEU A 89 11.127 5.400 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.392 3.793 9.760 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.446 5.056 8.999 1.00 0.00 H new ATOM 0 HG LEU A 89 10.052 2.333 7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.643 1.931 8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.474 2.234 9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.489 3.514 8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.451 2.981 6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.330 4.606 6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.873 4.051 6.076 1.00 0.00 H new ATOM 1302 N ARG A 90 12.767 5.078 10.146 1.00 0.00 N ATOM 1303 CA ARG A 90 13.498 5.820 11.166 1.00 0.00 C ATOM 1304 C ARG A 90 14.719 6.510 10.566 1.00 0.00 C ATOM 1305 O ARG A 90 15.307 7.402 11.179 1.00 0.00 O ATOM 1306 CB ARG A 90 13.932 4.884 12.295 1.00 0.00 C ATOM 1307 CG ARG A 90 14.578 3.598 11.806 1.00 0.00 C ATOM 1308 CD ARG A 90 15.126 2.775 12.962 1.00 0.00 C ATOM 1309 NE ARG A 90 16.122 3.512 13.734 1.00 0.00 N ATOM 1310 CZ ARG A 90 15.816 4.346 14.722 1.00 0.00 C ATOM 1311 NH1 ARG A 90 14.549 4.547 15.056 1.00 0.00 N ATOM 1312 NH2 ARG A 90 16.779 4.981 15.379 1.00 0.00 N ATOM 0 H ARG A 90 12.798 4.065 10.258 1.00 0.00 H new ATOM 0 HA ARG A 90 12.833 6.583 11.571 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.634 5.410 12.942 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.063 4.635 12.904 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.846 3.009 11.254 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.385 3.836 11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.306 2.479 13.617 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.572 1.859 12.575 1.00 0.00 H new ATOM 0 HE ARG A 90 17.106 3.379 13.502 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.806 4.061 14.554 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.317 5.188 15.815 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.755 4.829 15.126 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.543 5.621 16.137 1.00 0.00 H new ATOM 1326 N LYS A 91 15.097 6.092 9.362 1.00 0.00 N ATOM 1327 CA LYS A 91 16.248 6.669 8.677 1.00 0.00 C ATOM 1328 C LYS A 91 15.851 7.930 7.916 1.00 0.00 C ATOM 1329 O LYS A 91 16.605 8.902 7.872 1.00 0.00 O ATOM 1330 CB LYS A 91 16.857 5.649 7.713 1.00 0.00 C ATOM 1331 CG LYS A 91 17.680 4.575 8.404 1.00 0.00 C ATOM 1332 CD LYS A 91 17.924 3.386 7.490 1.00 0.00 C ATOM 1333 CE LYS A 91 19.140 3.606 6.602 1.00 0.00 C ATOM 1334 NZ LYS A 91 18.773 4.242 5.307 1.00 0.00 N ATOM 0 H LYS A 91 14.622 5.355 8.840 1.00 0.00 H new ATOM 0 HA LYS A 91 16.990 6.938 9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.056 5.173 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.488 6.172 6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.635 4.994 8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.164 4.243 9.305 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.068 2.488 8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.044 3.217 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.862 4.235 7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.628 2.650 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.416 3.908 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.795 3.988 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.851 5.275 5.393 1.00 0.00 H new ATOM 1348 N SER A 92 14.664 7.907 7.320 1.00 0.00 N ATOM 1349 CA SER A 92 14.169 9.048 6.559 1.00 0.00 C ATOM 1350 C SER A 92 14.215 10.322 7.398 1.00 0.00 C ATOM 1351 O SER A 92 13.635 10.387 8.481 1.00 0.00 O ATOM 1352 CB SER A 92 12.738 8.789 6.083 1.00 0.00 C ATOM 1353 OG SER A 92 12.402 9.632 4.994 1.00 0.00 O ATOM 0 H SER A 92 14.027 7.111 7.349 1.00 0.00 H new ATOM 0 HA SER A 92 14.815 9.182 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.634 7.746 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.042 8.957 6.905 1.00 0.00 H new ATOM 0 HG SER A 92 12.172 10.524 5.329 1.00 0.00 H new ATOM 1359 N GLY A 93 14.910 11.334 6.888 1.00 0.00 N ATOM 1360 CA GLY A 93 15.019 12.593 7.602 1.00 0.00 C ATOM 1361 C GLY A 93 13.682 13.086 8.117 1.00 0.00 C ATOM 1362 O GLY A 93 13.387 12.974 9.308 1.00 0.00 O ATOM 0 H GLY A 93 15.399 11.305 5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.706 12.473 8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.450 13.345 6.942 1.00 0.00 H new ATOM 1366 N LYS A 94 12.870 13.635 7.221 1.00 0.00 N ATOM 1367 CA LYS A 94 11.556 14.148 7.590 1.00 0.00 C ATOM 1368 C LYS A 94 10.484 13.636 6.634 1.00 0.00 C ATOM 1369 O LYS A 94 9.358 13.352 7.044 1.00 0.00 O ATOM 1370 CB LYS A 94 11.565 15.678 7.591 1.00 0.00 C ATOM 1371 CG LYS A 94 10.212 16.294 7.902 1.00 0.00 C ATOM 1372 CD LYS A 94 10.358 17.642 8.589 1.00 0.00 C ATOM 1373 CE LYS A 94 9.035 18.392 8.630 1.00 0.00 C ATOM 1374 NZ LYS A 94 9.133 19.645 9.429 1.00 0.00 N ATOM 0 H LYS A 94 13.099 13.736 6.232 1.00 0.00 H new ATOM 0 HA LYS A 94 11.323 13.792 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.291 16.028 8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.900 16.032 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.645 16.415 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.642 15.619 8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.727 17.496 9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.101 18.241 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.722 18.633 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.266 17.748 9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.212 20.127 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.407 19.414 10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.849 20.270 9.008 1.00 0.00 H new ATOM 1388 N ILE A 95 10.841 13.520 5.359 1.00 0.00 N ATOM 1389 CA ILE A 95 9.909 13.040 4.346 1.00 0.00 C ATOM 1390 C ILE A 95 10.325 11.669 3.822 1.00 0.00 C ATOM 1391 O ILE A 95 11.487 11.450 3.481 1.00 0.00 O ATOM 1392 CB ILE A 95 9.810 14.020 3.163 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.528 15.437 3.668 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.726 13.573 2.194 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.209 15.567 4.397 1.00 0.00 C ATOM 0 H ILE A 95 11.768 13.752 5.003 1.00 0.00 H new ATOM 0 HA ILE A 95 8.933 12.963 4.826 1.00 0.00 H new ATOM 0 HB ILE A 95 10.763 14.025 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.334 15.744 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.535 16.124 2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.668 14.276 1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.965 12.580 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.767 13.542 2.710 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.075 16.597 4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.394 15.292 3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.205 14.906 5.263 1.00 0.00 H new ATOM 1407 N ALA A 96 9.367 10.750 3.760 1.00 0.00 N ATOM 1408 CA ALA A 96 9.633 9.402 3.274 1.00 0.00 C ATOM 1409 C ALA A 96 8.628 8.997 2.200 1.00 0.00 C ATOM 1410 O ALA A 96 7.442 9.309 2.298 1.00 0.00 O ATOM 1411 CB ALA A 96 9.604 8.410 4.427 1.00 0.00 C ATOM 0 H ALA A 96 8.400 10.915 4.040 1.00 0.00 H new ATOM 0 HA ALA A 96 10.627 9.393 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.804 7.407 4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.365 8.681 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.622 8.430 4.900 1.00 0.00 H new ATOM 1417 N ALA A 97 9.112 8.303 1.176 1.00 0.00 N ATOM 1418 CA ALA A 97 8.255 7.855 0.085 1.00 0.00 C ATOM 1419 C ALA A 97 8.036 6.347 0.142 1.00 0.00 C ATOM 1420 O ALA A 97 8.955 5.567 -0.106 1.00 0.00 O ATOM 1421 CB ALA A 97 8.857 8.252 -1.256 1.00 0.00 C ATOM 0 H ALA A 97 10.092 8.039 1.079 1.00 0.00 H new ATOM 0 HA ALA A 97 7.286 8.341 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.207 7.911 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.956 9.336 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.840 7.793 -1.364 1.00 0.00 H new ATOM 1427 N ILE A 98 6.814 5.944 0.472 1.00 0.00 N ATOM 1428 CA ILE A 98 6.474 4.529 0.562 1.00 0.00 C ATOM 1429 C ILE A 98 5.467 4.136 -0.513 1.00 0.00 C ATOM 1430 O ILE A 98 4.475 4.832 -0.734 1.00 0.00 O ATOM 1431 CB ILE A 98 5.897 4.175 1.945 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.845 4.642 3.052 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.650 2.678 2.049 1.00 0.00 C ATOM 1434 CD1 ILE A 98 6.243 4.559 4.437 1.00 0.00 C ATOM 0 H ILE A 98 6.042 6.577 0.682 1.00 0.00 H new ATOM 0 HA ILE A 98 7.399 3.972 0.411 1.00 0.00 H new ATOM 0 HB ILE A 98 4.944 4.690 2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.752 4.038 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.142 5.672 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.242 2.444 3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.941 2.372 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.590 2.144 1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.970 4.905 5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.352 5.186 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.972 3.526 4.655 1.00 0.00 H new ATOM 1446 N VAL A 99 5.726 3.015 -1.178 1.00 0.00 N ATOM 1447 CA VAL A 99 4.840 2.526 -2.228 1.00 0.00 C ATOM 1448 C VAL A 99 4.045 1.314 -1.756 1.00 0.00 C ATOM 1449 O VAL A 99 4.552 0.192 -1.744 1.00 0.00 O ATOM 1450 CB VAL A 99 5.628 2.148 -3.496 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.682 1.694 -4.597 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.479 3.319 -3.963 1.00 0.00 C ATOM 0 H VAL A 99 6.543 2.428 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 99 4.152 3.338 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 99 6.293 1.318 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.257 1.431 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.120 0.824 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.990 2.501 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.029 3.034 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.836 4.170 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.183 3.593 -3.177 1.00 0.00 H new ATOM 1462 N VAL A 100 2.795 1.547 -1.369 1.00 0.00 N ATOM 1463 CA VAL A 100 1.928 0.474 -0.898 1.00 0.00 C ATOM 1464 C VAL A 100 0.851 0.146 -1.926 1.00 0.00 C ATOM 1465 O VAL A 100 0.616 0.911 -2.862 1.00 0.00 O ATOM 1466 CB VAL A 100 1.253 0.842 0.436 1.00 0.00 C ATOM 1467 CG1 VAL A 100 2.297 1.205 1.481 1.00 0.00 C ATOM 1468 CG2 VAL A 100 0.268 1.984 0.237 1.00 0.00 C ATOM 0 H VAL A 100 2.360 2.470 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 100 2.561 -0.400 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 100 0.701 -0.026 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.801 1.462 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.960 0.355 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.879 2.058 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.200 2.231 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.796 2.858 -0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.499 1.683 -0.476 1.00 0.00 H new ATOM 1478 N LYS A 101 0.198 -0.997 -1.747 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.857 -1.428 -2.657 1.00 0.00 C ATOM 1480 C LYS A 101 -2.093 -1.877 -1.885 1.00 0.00 C ATOM 1481 O LYS A 101 -2.019 -2.772 -1.042 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.356 -2.567 -3.547 1.00 0.00 C ATOM 1483 CG LYS A 101 0.274 -3.712 -2.773 1.00 0.00 C ATOM 1484 CD LYS A 101 1.039 -4.652 -3.690 1.00 0.00 C ATOM 1485 CE LYS A 101 1.100 -6.060 -3.120 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.888 -6.977 -3.990 1.00 0.00 N ATOM 0 H LYS A 101 0.381 -1.643 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.131 -0.579 -3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.190 -2.952 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.375 -2.171 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.948 -3.313 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.503 -4.267 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.561 -4.675 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.051 -4.274 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.546 -6.030 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.088 -6.449 -3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.906 -7.927 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.449 -7.025 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.861 -6.620 -4.080 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.228 -1.251 -2.178 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.480 -1.587 -1.510 1.00 0.00 C ATOM 1502 C ARG A 102 -5.371 -2.430 -2.419 1.00 0.00 C ATOM 1503 O ARG A 102 -5.654 -2.068 -3.561 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.218 -0.314 -1.092 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.905 0.133 0.326 1.00 0.00 C ATOM 1506 CD ARG A 102 -3.755 1.128 0.356 1.00 0.00 C ATOM 1507 NE ARG A 102 -4.101 2.384 -0.303 1.00 0.00 N ATOM 1508 CZ ARG A 102 -5.000 3.240 0.171 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.640 2.975 1.302 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -5.260 4.363 -0.486 1.00 0.00 N ATOM 0 H ARG A 102 -3.307 -0.509 -2.873 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.243 -2.169 -0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.960 0.489 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.291 -0.480 -1.183 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.791 0.586 0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.652 -0.735 0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.474 1.327 1.390 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.884 0.690 -0.132 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.627 2.617 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.442 2.113 1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.330 3.634 1.664 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.770 4.570 -1.356 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.950 5.019 -0.121 1.00 0.00 H new ATOM 1524 N PRO A 103 -5.825 -3.581 -1.901 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.690 -4.498 -2.648 1.00 0.00 C ATOM 1526 C PRO A 103 -8.089 -3.930 -2.863 1.00 0.00 C ATOM 1527 O PRO A 103 -8.834 -3.711 -1.907 1.00 0.00 O ATOM 1528 CB PRO A 103 -6.749 -5.739 -1.753 1.00 0.00 C ATOM 1529 CG PRO A 103 -6.479 -5.228 -0.380 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.528 -4.075 -0.546 1.00 0.00 C ATOM 0 HA PRO A 103 -6.306 -4.695 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -7.724 -6.223 -1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.007 -6.479 -2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.401 -4.907 0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.043 -6.006 0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.694 -3.305 0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.490 -4.394 -0.453 1.00 0.00 H new