USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 854 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 65 GLN : amide:sc= -1.7 K(o=-1.8,f=-6.7!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 154:sc= -0.0501 (180deg=-0.334) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.473 K(o=1.2,f=-4.4) USER MOD Set 2.2: A 77 HIS : no HE2:sc= 0.0558 K(o=1.2,f=-10!) USER MOD Set 2.3: A 81 HIS : no HE2:sc= 1.81 K(o=1.2,f=-13!) USER MOD Set 2.4: A 100 HIS : +bothHN:sc= -1.1 K(o=1.2,f=-13!) USER MOD Single : A 9 LYS NZ :NH3+ 137:sc= -0.0709 (180deg=-0.733) USER MOD Single : A 12 GLN : amide:sc= -0.159 K(o=-0.16,f=-3.6!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= -0.0552 (180deg=-0.447) USER MOD Single : A 24 LYS NZ :NH3+ 150:sc= 1.38 (180deg=0.782) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0803) USER MOD Single : A 31 GLN : amide:sc=-0.00279 K(o=-0.0028,f=-0.86) USER MOD Single : A 38 GLN : amide:sc= -0.0573 K(o=-0.057,f=-1.3!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.85) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0456) USER MOD Single : A 51 TYR OH : rot 57:sc= 0.733 USER MOD Single : A 52 LYS NZ :NH3+ -124:sc= -0.873 (180deg=-3.04!) USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= 0.468 (180deg=-0.48!) USER MOD Single : A 60 ASN : amide:sc= -0.761 K(o=-0.76,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc=-0.00105 (180deg=-0.0774) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN :FLIP amide:sc= -1.46! C(o=-5.9!,f=-1.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -0.0351 F(o=-1.5!,f=-0.035) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.834 F(o=-2.8!,f=-0.83) USER MOD Single : A 102 GLN : amide:sc= -0.0955 X(o=-0.095,f=-0.065) USER MOD Single : A 105 GLN :FLIP amide:sc=-0.00682 F(o=-1.2!,f=-0.0068) USER MOD Single : A 107 HIS : no HE2:sc= 0.479 K(o=0.48,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 6 -9.237 4.420 10.103 1.00 0.00 N ATOM 91 CA GLU A 6 -9.429 3.339 9.148 1.00 0.00 C ATOM 92 C GLU A 6 -8.444 3.474 7.990 1.00 0.00 C ATOM 93 O GLU A 6 -7.916 2.479 7.490 1.00 0.00 O ATOM 94 CB GLU A 6 -10.870 3.334 8.636 1.00 0.00 C ATOM 95 CG GLU A 6 -11.195 2.162 7.730 1.00 0.00 C ATOM 96 CD GLU A 6 -12.676 2.050 7.450 1.00 0.00 C ATOM 97 OE1 GLU A 6 -13.407 1.540 8.323 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.121 2.468 6.363 1.00 0.00 O ATOM 0 HA GLU A 6 -9.240 2.390 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.548 3.321 9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.056 4.262 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.656 2.272 6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.844 1.239 8.192 1.00 0.00 H new ATOM 105 N LEU A 7 -8.185 4.714 7.590 1.00 0.00 N ATOM 106 CA LEU A 7 -7.234 5.001 6.527 1.00 0.00 C ATOM 107 C LEU A 7 -5.838 4.509 6.895 1.00 0.00 C ATOM 108 O LEU A 7 -5.129 3.940 6.061 1.00 0.00 O ATOM 109 CB LEU A 7 -7.204 6.503 6.245 1.00 0.00 C ATOM 110 CG LEU A 7 -8.126 6.991 5.122 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.583 6.682 5.427 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.930 8.483 4.895 1.00 0.00 C ATOM 0 H LEU A 7 -8.626 5.542 7.991 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.555 4.473 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.469 7.031 7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.181 6.787 5.998 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.861 6.457 4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.210 7.041 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.711 5.605 5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.874 7.178 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.590 8.819 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.165 9.024 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.894 8.676 4.616 1.00 0.00 H new ATOM 124 N LEU A 8 -5.453 4.720 8.148 1.00 0.00 N ATOM 125 CA LEU A 8 -4.150 4.281 8.629 1.00 0.00 C ATOM 126 C LEU A 8 -4.103 2.761 8.714 1.00 0.00 C ATOM 127 O LEU A 8 -3.137 2.132 8.282 1.00 0.00 O ATOM 128 CB LEU A 8 -3.861 4.886 10.002 1.00 0.00 C ATOM 129 CG LEU A 8 -2.440 4.658 10.526 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.413 5.296 9.601 1.00 0.00 C ATOM 131 CD2 LEU A 8 -2.293 5.204 11.936 1.00 0.00 C ATOM 0 H LEU A 8 -6.025 5.192 8.849 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.390 4.620 7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.047 5.959 9.955 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.568 4.471 10.721 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.259 3.583 10.551 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.411 5.121 9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.495 4.856 8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.596 6.369 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.276 5.032 12.289 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.500 6.274 11.935 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.997 4.699 12.597 1.00 0.00 H new ATOM 143 N LYS A 9 -5.160 2.185 9.274 1.00 0.00 N ATOM 144 CA LYS A 9 -5.257 0.737 9.437 1.00 0.00 C ATOM 145 C LYS A 9 -5.142 0.020 8.092 1.00 0.00 C ATOM 146 O LYS A 9 -4.562 -1.067 8.004 1.00 0.00 O ATOM 147 CB LYS A 9 -6.574 0.360 10.126 1.00 0.00 C ATOM 148 CG LYS A 9 -6.725 -1.135 10.365 1.00 0.00 C ATOM 149 CD LYS A 9 -5.603 -1.675 11.244 1.00 0.00 C ATOM 150 CE LYS A 9 -5.519 -3.192 11.189 1.00 0.00 C ATOM 151 NZ LYS A 9 -5.299 -3.678 9.800 1.00 0.00 N ATOM 0 H LYS A 9 -5.967 2.701 9.625 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.426 0.417 10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.638 0.881 11.081 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.407 0.709 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.687 -1.334 10.838 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.725 -1.659 9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.653 -1.247 10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.764 -1.358 12.274 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.706 -3.535 11.828 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.439 -3.623 11.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.586 -4.435 9.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.192 -4.047 9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.965 -2.892 9.206 1.00 0.00 H new ATOM 165 N ALA A 10 -5.698 0.632 7.048 1.00 0.00 N ATOM 166 CA ALA A 10 -5.617 0.074 5.703 1.00 0.00 C ATOM 167 C ALA A 10 -4.169 0.013 5.232 1.00 0.00 C ATOM 168 O ALA A 10 -3.722 -1.006 4.702 1.00 0.00 O ATOM 169 CB ALA A 10 -6.456 0.895 4.735 1.00 0.00 C ATOM 0 H ALA A 10 -6.208 1.513 7.109 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.012 -0.942 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.384 0.465 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.497 0.888 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.089 1.921 4.715 1.00 0.00 H new ATOM 175 N GLU A 11 -3.437 1.101 5.450 1.00 0.00 N ATOM 176 CA GLU A 11 -2.029 1.176 5.072 1.00 0.00 C ATOM 177 C GLU A 11 -1.220 0.142 5.858 1.00 0.00 C ATOM 178 O GLU A 11 -0.376 -0.564 5.302 1.00 0.00 O ATOM 179 CB GLU A 11 -1.488 2.586 5.339 1.00 0.00 C ATOM 180 CG GLU A 11 -0.087 2.829 4.799 1.00 0.00 C ATOM 181 CD GLU A 11 -0.052 2.971 3.288 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.132 1.978 2.568 1.00 0.00 O ATOM 183 OE2 GLU A 11 0.093 4.087 2.772 1.00 0.00 O ATOM 0 H GLU A 11 -3.798 1.948 5.889 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.936 0.960 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.167 3.314 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.487 2.765 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.320 3.732 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.560 2.003 5.096 1.00 0.00 H new ATOM 190 N GLN A 12 -1.503 0.049 7.157 1.00 0.00 N ATOM 191 CA GLN A 12 -0.832 -0.907 8.034 1.00 0.00 C ATOM 192 C GLN A 12 -1.051 -2.342 7.553 1.00 0.00 C ATOM 193 O GLN A 12 -0.179 -3.201 7.708 1.00 0.00 O ATOM 194 CB GLN A 12 -1.347 -0.768 9.471 1.00 0.00 C ATOM 195 CG GLN A 12 -1.067 0.586 10.109 1.00 0.00 C ATOM 196 CD GLN A 12 -1.677 0.709 11.495 1.00 0.00 C ATOM 197 OE1 GLN A 12 -2.707 0.096 11.786 1.00 0.00 O ATOM 198 NE2 GLN A 12 -1.055 1.499 12.357 1.00 0.00 N ATOM 0 H GLN A 12 -2.198 0.629 7.627 1.00 0.00 H new ATOM 0 HA GLN A 12 0.235 -0.687 8.008 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.423 -0.944 9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.893 -1.546 10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.010 0.738 10.174 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.462 1.375 9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.205 1.989 12.078 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.426 1.617 13.300 1.00 0.00 H new ATOM 207 N GLN A 13 -2.217 -2.590 6.963 1.00 0.00 N ATOM 208 CA GLN A 13 -2.572 -3.921 6.488 1.00 0.00 C ATOM 209 C GLN A 13 -1.667 -4.333 5.336 1.00 0.00 C ATOM 210 O GLN A 13 -1.176 -5.462 5.289 1.00 0.00 O ATOM 211 CB GLN A 13 -4.034 -3.949 6.042 1.00 0.00 C ATOM 212 CG GLN A 13 -4.550 -5.343 5.725 1.00 0.00 C ATOM 213 CD GLN A 13 -5.965 -5.332 5.182 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.933 -5.384 5.939 1.00 0.00 O ATOM 215 NE2 GLN A 13 -6.096 -5.269 3.865 1.00 0.00 N ATOM 0 H GLN A 13 -2.934 -1.882 6.803 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.438 -4.628 7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.652 -3.512 6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.147 -3.320 5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.889 -5.814 4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.516 -5.953 6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.268 -5.227 3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.025 -5.262 3.445 1.00 0.00 H new ATOM 224 N GLY A 14 -1.443 -3.404 4.422 1.00 0.00 N ATOM 225 CA GLY A 14 -0.587 -3.676 3.283 1.00 0.00 C ATOM 226 C GLY A 14 0.853 -3.890 3.697 1.00 0.00 C ATOM 227 O GLY A 14 1.537 -4.759 3.159 1.00 0.00 O ATOM 0 H GLY A 14 -1.838 -2.464 4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.949 -4.561 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.643 -2.845 2.580 1.00 0.00 H new ATOM 231 N ILE A 15 1.306 -3.104 4.668 1.00 0.00 N ATOM 232 CA ILE A 15 2.663 -3.231 5.195 1.00 0.00 C ATOM 233 C ILE A 15 2.886 -4.623 5.782 1.00 0.00 C ATOM 234 O ILE A 15 3.943 -5.227 5.585 1.00 0.00 O ATOM 235 CB ILE A 15 2.955 -2.163 6.274 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.789 -0.762 5.683 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.361 -2.337 6.837 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.969 0.349 6.698 1.00 0.00 C ATOM 0 H ILE A 15 0.752 -2.369 5.108 1.00 0.00 H new ATOM 0 HA ILE A 15 3.349 -3.076 4.362 1.00 0.00 H new ATOM 0 HB ILE A 15 2.243 -2.290 7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.512 -0.628 4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.797 -0.679 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.546 -1.576 7.595 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.453 -3.326 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.090 -2.234 6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.837 1.314 6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.229 0.241 7.491 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.970 0.293 7.125 1.00 0.00 H new ATOM 250 N LYS A 16 1.879 -5.130 6.491 1.00 0.00 N ATOM 251 CA LYS A 16 1.929 -6.482 7.040 1.00 0.00 C ATOM 252 C LYS A 16 2.115 -7.494 5.920 1.00 0.00 C ATOM 253 O LYS A 16 2.954 -8.392 5.999 1.00 0.00 O ATOM 254 CB LYS A 16 0.635 -6.801 7.785 1.00 0.00 C ATOM 255 CG LYS A 16 0.631 -8.176 8.436 1.00 0.00 C ATOM 256 CD LYS A 16 -0.725 -8.512 9.031 1.00 0.00 C ATOM 257 CE LYS A 16 -0.764 -9.944 9.540 1.00 0.00 C ATOM 258 NZ LYS A 16 -2.092 -10.294 10.106 1.00 0.00 N ATOM 0 H LYS A 16 1.018 -4.624 6.698 1.00 0.00 H new ATOM 0 HA LYS A 16 2.770 -6.539 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.471 -6.044 8.552 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.201 -6.735 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.901 -8.930 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.390 -8.211 9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.946 -7.827 9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.500 -8.370 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.526 -10.626 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.003 -10.079 10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.078 -11.278 10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.309 -9.660 10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.821 -10.190 9.372 1.00 0.00 H new ATOM 272 N ILE A 17 1.310 -7.330 4.884 1.00 0.00 N ATOM 273 CA ILE A 17 1.373 -8.185 3.706 1.00 0.00 C ATOM 274 C ILE A 17 2.746 -8.098 3.043 1.00 0.00 C ATOM 275 O ILE A 17 3.350 -9.120 2.717 1.00 0.00 O ATOM 276 CB ILE A 17 0.266 -7.817 2.688 1.00 0.00 C ATOM 277 CG1 ILE A 17 -1.114 -8.034 3.318 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.408 -8.640 1.414 1.00 0.00 C ATOM 279 CD1 ILE A 17 -2.269 -7.668 2.413 1.00 0.00 C ATOM 0 H ILE A 17 0.596 -6.604 4.833 1.00 0.00 H new ATOM 0 HA ILE A 17 1.209 -9.211 4.035 1.00 0.00 H new ATOM 0 HB ILE A 17 0.372 -6.765 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.210 -9.081 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.181 -7.444 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.380 -8.365 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.380 -8.445 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.326 -9.700 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.210 -7.850 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.201 -6.614 2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.230 -8.276 1.509 1.00 0.00 H new ATOM 291 N LEU A 18 3.246 -6.878 2.869 1.00 0.00 N ATOM 292 CA LEU A 18 4.559 -6.664 2.270 1.00 0.00 C ATOM 293 C LEU A 18 5.650 -7.371 3.070 1.00 0.00 C ATOM 294 O LEU A 18 6.572 -7.944 2.500 1.00 0.00 O ATOM 295 CB LEU A 18 4.867 -5.168 2.166 1.00 0.00 C ATOM 296 CG LEU A 18 3.970 -4.378 1.206 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.325 -2.900 1.240 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.088 -4.924 -0.208 1.00 0.00 C ATOM 0 H LEU A 18 2.760 -6.021 3.135 1.00 0.00 H new ATOM 0 HA LEU A 18 4.541 -7.089 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.784 -4.727 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.903 -5.049 1.850 1.00 0.00 H new ATOM 0 HG LEU A 18 2.936 -4.491 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.678 -2.355 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.187 -2.516 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.365 -2.769 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.444 -4.350 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.122 -4.843 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.783 -5.970 -0.221 1.00 0.00 H new ATOM 310 N LYS A 19 5.530 -7.334 4.392 1.00 0.00 N ATOM 311 CA LYS A 19 6.465 -8.013 5.267 1.00 0.00 C ATOM 312 C LYS A 19 6.419 -9.525 5.064 1.00 0.00 C ATOM 313 O LYS A 19 7.461 -10.175 4.973 1.00 0.00 O ATOM 314 CB LYS A 19 6.151 -7.657 6.710 1.00 0.00 C ATOM 315 CG LYS A 19 6.773 -6.342 7.150 1.00 0.00 C ATOM 316 CD LYS A 19 8.290 -6.438 7.259 1.00 0.00 C ATOM 317 CE LYS A 19 8.707 -7.398 8.364 1.00 0.00 C ATOM 318 NZ LYS A 19 10.182 -7.445 8.539 1.00 0.00 N ATOM 0 H LYS A 19 4.786 -6.835 4.880 1.00 0.00 H new ATOM 0 HA LYS A 19 7.475 -7.683 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.070 -7.601 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.507 -8.456 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.509 -5.560 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.358 -6.049 8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.704 -6.773 6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.705 -5.450 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.241 -7.095 9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.338 -8.397 8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.420 -8.111 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.627 -7.759 7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.533 -6.497 8.785 1.00 0.00 H new ATOM 332 N GLU A 20 5.210 -10.075 4.991 1.00 0.00 N ATOM 333 CA GLU A 20 5.020 -11.493 4.747 1.00 0.00 C ATOM 334 C GLU A 20 5.655 -11.892 3.418 1.00 0.00 C ATOM 335 O GLU A 20 6.399 -12.867 3.339 1.00 0.00 O ATOM 336 CB GLU A 20 3.522 -11.784 4.723 1.00 0.00 C ATOM 337 CG GLU A 20 3.114 -13.061 5.427 1.00 0.00 C ATOM 338 CD GLU A 20 3.556 -14.326 4.707 1.00 0.00 C ATOM 339 OE1 GLU A 20 2.957 -14.670 3.666 1.00 0.00 O ATOM 340 OE2 GLU A 20 4.494 -14.990 5.191 1.00 0.00 O ATOM 0 H GLU A 20 4.342 -9.550 5.099 1.00 0.00 H new ATOM 0 HA GLU A 20 5.498 -12.071 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.996 -10.948 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.192 -11.836 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.534 -13.061 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.029 -13.075 5.535 1.00 0.00 H new ATOM 347 N VAL A 21 5.374 -11.112 2.385 1.00 0.00 N ATOM 348 CA VAL A 21 5.873 -11.398 1.047 1.00 0.00 C ATOM 349 C VAL A 21 7.388 -11.214 0.964 1.00 0.00 C ATOM 350 O VAL A 21 8.075 -12.004 0.320 1.00 0.00 O ATOM 351 CB VAL A 21 5.182 -10.514 -0.012 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.682 -10.842 -1.409 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.671 -10.676 0.063 1.00 0.00 C ATOM 0 H VAL A 21 4.800 -10.271 2.448 1.00 0.00 H new ATOM 0 HA VAL A 21 5.638 -12.442 0.838 1.00 0.00 H new ATOM 0 HB VAL A 21 5.433 -9.475 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.178 -10.204 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.757 -10.671 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.470 -11.887 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.200 -10.045 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.407 -11.718 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.322 -10.381 1.053 1.00 0.00 H new ATOM 363 N LEU A 22 7.903 -10.179 1.617 1.00 0.00 N ATOM 364 CA LEU A 22 9.342 -9.920 1.634 1.00 0.00 C ATOM 365 C LEU A 22 10.085 -11.092 2.269 1.00 0.00 C ATOM 366 O LEU A 22 11.142 -11.505 1.792 1.00 0.00 O ATOM 367 CB LEU A 22 9.648 -8.634 2.403 1.00 0.00 C ATOM 368 CG LEU A 22 11.110 -8.182 2.357 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.518 -7.821 0.937 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.330 -7.005 3.293 1.00 0.00 C ATOM 0 H LEU A 22 7.347 -9.504 2.142 1.00 0.00 H new ATOM 0 HA LEU A 22 9.679 -9.802 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.024 -7.834 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.360 -8.775 3.445 1.00 0.00 H new ATOM 0 HG LEU A 22 11.736 -9.010 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.560 -7.503 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.399 -8.691 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.888 -7.010 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.374 -6.695 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.692 -6.175 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.082 -7.300 4.313 1.00 0.00 H new ATOM 382 N LYS A 23 9.521 -11.617 3.346 1.00 0.00 N ATOM 383 CA LYS A 23 10.077 -12.788 4.012 1.00 0.00 C ATOM 384 C LYS A 23 9.950 -14.005 3.114 1.00 0.00 C ATOM 385 O LYS A 23 10.908 -14.745 2.888 1.00 0.00 O ATOM 386 CB LYS A 23 9.322 -13.050 5.308 1.00 0.00 C ATOM 387 CG LYS A 23 9.988 -14.080 6.205 1.00 0.00 C ATOM 388 CD LYS A 23 9.167 -14.342 7.453 1.00 0.00 C ATOM 389 CE LYS A 23 9.739 -15.489 8.267 1.00 0.00 C ATOM 390 NZ LYS A 23 9.777 -16.756 7.488 1.00 0.00 N ATOM 0 H LYS A 23 8.674 -11.249 3.780 1.00 0.00 H new ATOM 0 HA LYS A 23 11.129 -12.601 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.223 -12.113 5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.313 -13.387 5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.123 -15.011 5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.981 -13.730 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.136 -13.441 8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.139 -14.572 7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.747 -15.234 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.138 -15.632 9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.859 -17.562 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.903 -16.848 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.595 -16.745 6.846 1.00 0.00 H new ATOM 404 N LYS A 24 8.745 -14.187 2.608 1.00 0.00 N ATOM 405 CA LYS A 24 8.411 -15.307 1.733 1.00 0.00 C ATOM 406 C LYS A 24 9.265 -15.303 0.457 1.00 0.00 C ATOM 407 O LYS A 24 9.448 -16.342 -0.179 1.00 0.00 O ATOM 408 CB LYS A 24 6.919 -15.251 1.382 1.00 0.00 C ATOM 409 CG LYS A 24 6.359 -16.548 0.814 1.00 0.00 C ATOM 410 CD LYS A 24 6.443 -17.699 1.811 1.00 0.00 C ATOM 411 CE LYS A 24 5.708 -17.396 3.112 1.00 0.00 C ATOM 412 NZ LYS A 24 4.250 -17.161 2.918 1.00 0.00 N ATOM 0 H LYS A 24 7.961 -13.560 2.791 1.00 0.00 H new ATOM 0 HA LYS A 24 8.627 -16.235 2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.357 -14.988 2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.758 -14.452 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.319 -16.396 0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.907 -16.813 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.022 -18.598 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.490 -17.911 2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.847 -18.227 3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.153 -16.517 3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.734 -17.458 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.081 -16.149 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.915 -17.711 2.101 1.00 0.00 H new ATOM 426 N ALA A 25 9.785 -14.132 0.090 1.00 0.00 N ATOM 427 CA ALA A 25 10.676 -14.007 -1.062 1.00 0.00 C ATOM 428 C ALA A 25 11.974 -14.780 -0.838 1.00 0.00 C ATOM 429 O ALA A 25 12.632 -15.200 -1.791 1.00 0.00 O ATOM 430 CB ALA A 25 10.975 -12.541 -1.344 1.00 0.00 C ATOM 0 H ALA A 25 9.603 -13.254 0.576 1.00 0.00 H new ATOM 0 HA ALA A 25 10.172 -14.436 -1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.640 -12.464 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.045 -12.014 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.455 -12.094 -0.474 1.00 0.00 H new ATOM 436 N LYS A 26 12.337 -14.961 0.428 1.00 0.00 N ATOM 437 CA LYS A 26 13.494 -15.773 0.791 1.00 0.00 C ATOM 438 C LYS A 26 13.220 -17.244 0.505 1.00 0.00 C ATOM 439 O LYS A 26 14.141 -18.016 0.237 1.00 0.00 O ATOM 440 CB LYS A 26 13.858 -15.572 2.267 1.00 0.00 C ATOM 441 CG LYS A 26 14.622 -14.284 2.529 1.00 0.00 C ATOM 442 CD LYS A 26 16.033 -14.360 1.971 1.00 0.00 C ATOM 443 CE LYS A 26 16.779 -13.046 2.133 1.00 0.00 C ATOM 444 NZ LYS A 26 16.226 -11.978 1.259 1.00 0.00 N ATOM 0 H LYS A 26 11.844 -14.554 1.223 1.00 0.00 H new ATOM 0 HA LYS A 26 14.341 -15.453 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.945 -15.572 2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.458 -16.417 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.093 -13.446 2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.662 -14.093 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.582 -15.154 2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.992 -14.626 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.727 -12.726 3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.833 -13.196 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.861 -11.155 1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.142 -12.335 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.287 -11.696 1.607 1.00 0.00 H new ATOM 458 N GLU A 27 11.952 -17.625 0.575 1.00 0.00 N ATOM 459 CA GLU A 27 11.544 -18.978 0.241 1.00 0.00 C ATOM 460 C GLU A 27 11.648 -19.179 -1.268 1.00 0.00 C ATOM 461 O GLU A 27 12.175 -20.185 -1.739 1.00 0.00 O ATOM 462 CB GLU A 27 10.110 -19.235 0.710 1.00 0.00 C ATOM 463 CG GLU A 27 9.680 -20.684 0.583 1.00 0.00 C ATOM 464 CD GLU A 27 10.557 -21.606 1.397 1.00 0.00 C ATOM 465 OE1 GLU A 27 10.335 -21.714 2.621 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.487 -22.214 0.824 1.00 0.00 O ATOM 0 H GLU A 27 11.188 -17.013 0.861 1.00 0.00 H new ATOM 0 HA GLU A 27 12.201 -19.685 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.017 -18.927 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.430 -18.611 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.645 -20.785 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.714 -20.982 -0.465 1.00 0.00 H new ATOM 473 N GLY A 28 11.144 -18.203 -2.018 1.00 0.00 N ATOM 474 CA GLY A 28 11.255 -18.235 -3.464 1.00 0.00 C ATOM 475 C GLY A 28 10.278 -19.194 -4.112 1.00 0.00 C ATOM 476 O GLY A 28 10.496 -19.648 -5.238 1.00 0.00 O ATOM 0 H GLY A 28 10.658 -17.387 -1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.087 -17.233 -3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.271 -18.519 -3.739 1.00 0.00 H new ATOM 480 N ASP A 29 9.197 -19.506 -3.407 1.00 0.00 N ATOM 481 CA ASP A 29 8.190 -20.408 -3.944 1.00 0.00 C ATOM 482 C ASP A 29 7.295 -19.677 -4.932 1.00 0.00 C ATOM 483 O ASP A 29 6.614 -18.714 -4.580 1.00 0.00 O ATOM 484 CB ASP A 29 7.344 -21.028 -2.837 1.00 0.00 C ATOM 485 CG ASP A 29 6.386 -22.065 -3.389 1.00 0.00 C ATOM 486 OD1 ASP A 29 6.809 -23.223 -3.576 1.00 0.00 O ATOM 487 OD2 ASP A 29 5.215 -21.722 -3.652 1.00 0.00 O ATOM 0 H ASP A 29 8.998 -19.151 -2.472 1.00 0.00 H new ATOM 0 HA ASP A 29 8.713 -21.213 -4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.995 -21.490 -2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.782 -20.247 -2.325 1.00 0.00 H new ATOM 492 N GLU A 30 7.304 -20.154 -6.164 1.00 0.00 N ATOM 493 CA GLU A 30 6.599 -19.503 -7.263 1.00 0.00 C ATOM 494 C GLU A 30 5.087 -19.507 -7.058 1.00 0.00 C ATOM 495 O GLU A 30 4.411 -18.540 -7.398 1.00 0.00 O ATOM 496 CB GLU A 30 6.960 -20.193 -8.575 1.00 0.00 C ATOM 497 CG GLU A 30 8.420 -20.021 -8.958 1.00 0.00 C ATOM 498 CD GLU A 30 8.889 -21.056 -9.953 1.00 0.00 C ATOM 499 OE1 GLU A 30 8.473 -21.001 -11.129 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.690 -21.929 -9.561 1.00 0.00 O ATOM 0 H GLU A 30 7.799 -21.004 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 30 6.913 -18.460 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.735 -21.256 -8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.332 -19.795 -9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.566 -19.026 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.036 -20.081 -8.061 1.00 0.00 H new ATOM 507 N GLN A 31 4.563 -20.586 -6.496 1.00 0.00 N ATOM 508 CA GLN A 31 3.125 -20.714 -6.301 1.00 0.00 C ATOM 509 C GLN A 31 2.646 -19.778 -5.197 1.00 0.00 C ATOM 510 O GLN A 31 1.620 -19.110 -5.333 1.00 0.00 O ATOM 511 CB GLN A 31 2.755 -22.155 -5.963 1.00 0.00 C ATOM 512 CG GLN A 31 3.167 -23.155 -7.031 1.00 0.00 C ATOM 513 CD GLN A 31 2.615 -24.546 -6.781 1.00 0.00 C ATOM 514 OE1 GLN A 31 1.528 -24.704 -6.218 1.00 0.00 O ATOM 515 NE2 GLN A 31 3.358 -25.562 -7.190 1.00 0.00 N ATOM 0 H GLN A 31 5.109 -21.383 -6.168 1.00 0.00 H new ATOM 0 HA GLN A 31 2.631 -20.436 -7.232 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.225 -22.430 -5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.677 -22.219 -5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.824 -22.803 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.255 -23.204 -7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.251 -25.388 -7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.038 -26.519 -7.044 1.00 0.00 H new ATOM 524 N GLU A 32 3.395 -19.741 -4.104 1.00 0.00 N ATOM 525 CA GLU A 32 3.077 -18.866 -2.987 1.00 0.00 C ATOM 526 C GLU A 32 3.175 -17.398 -3.397 1.00 0.00 C ATOM 527 O GLU A 32 2.248 -16.619 -3.166 1.00 0.00 O ATOM 528 CB GLU A 32 4.021 -19.144 -1.814 1.00 0.00 C ATOM 529 CG GLU A 32 3.747 -18.283 -0.591 1.00 0.00 C ATOM 530 CD GLU A 32 2.480 -18.665 0.146 1.00 0.00 C ATOM 531 OE1 GLU A 32 1.461 -18.971 -0.508 1.00 0.00 O ATOM 532 OE2 GLU A 32 2.508 -18.668 1.395 1.00 0.00 O ATOM 0 H GLU A 32 4.231 -20.310 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 32 2.051 -19.069 -2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.938 -20.194 -1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.048 -18.981 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.592 -18.358 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.678 -17.240 -0.899 1.00 0.00 H new ATOM 539 N LEU A 33 4.287 -17.038 -4.030 1.00 0.00 N ATOM 540 CA LEU A 33 4.525 -15.657 -4.444 1.00 0.00 C ATOM 541 C LEU A 33 3.476 -15.190 -5.445 1.00 0.00 C ATOM 542 O LEU A 33 3.061 -14.031 -5.416 1.00 0.00 O ATOM 543 CB LEU A 33 5.928 -15.507 -5.042 1.00 0.00 C ATOM 544 CG LEU A 33 7.081 -15.709 -4.056 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.419 -15.560 -4.764 1.00 0.00 C ATOM 546 CD2 LEU A 33 6.977 -14.726 -2.900 1.00 0.00 C ATOM 0 H LEU A 33 5.040 -17.684 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 33 4.451 -15.029 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.037 -16.224 -5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.015 -14.512 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 33 7.014 -16.719 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.228 -15.707 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.496 -16.305 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.493 -14.562 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.806 -14.886 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.017 -13.707 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.034 -14.880 -2.376 1.00 0.00 H new ATOM 558 N ALA A 34 3.048 -16.093 -6.323 1.00 0.00 N ATOM 559 CA ALA A 34 2.019 -15.776 -7.306 1.00 0.00 C ATOM 560 C ALA A 34 0.738 -15.315 -6.620 1.00 0.00 C ATOM 561 O ALA A 34 0.169 -14.286 -6.979 1.00 0.00 O ATOM 562 CB ALA A 34 1.742 -16.978 -8.196 1.00 0.00 C ATOM 0 H ALA A 34 3.398 -17.050 -6.373 1.00 0.00 H new ATOM 0 HA ALA A 34 2.385 -14.960 -7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.971 -16.722 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.655 -17.261 -8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.401 -17.813 -7.584 1.00 0.00 H new ATOM 568 N ARG A 35 0.303 -16.071 -5.611 1.00 0.00 N ATOM 569 CA ARG A 35 -0.885 -15.707 -4.853 1.00 0.00 C ATOM 570 C ARG A 35 -0.647 -14.423 -4.078 1.00 0.00 C ATOM 571 O ARG A 35 -1.468 -13.510 -4.099 1.00 0.00 O ATOM 572 CB ARG A 35 -1.282 -16.799 -3.861 1.00 0.00 C ATOM 573 CG ARG A 35 -2.527 -16.425 -3.072 1.00 0.00 C ATOM 574 CD ARG A 35 -2.797 -17.367 -1.911 1.00 0.00 C ATOM 575 NE ARG A 35 -3.873 -16.855 -1.061 1.00 0.00 N ATOM 576 CZ ARG A 35 -4.778 -17.617 -0.457 1.00 0.00 C ATOM 577 NH1 ARG A 35 -4.717 -18.941 -0.548 1.00 0.00 N ATOM 578 NH2 ARG A 35 -5.740 -17.053 0.256 1.00 0.00 N ATOM 0 H ARG A 35 0.755 -16.933 -5.305 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.691 -15.572 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.459 -17.730 -4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.457 -16.981 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.418 -15.409 -2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.388 -16.424 -3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.067 -18.352 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.890 -17.491 -1.320 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.932 -15.846 -0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.970 -19.381 -1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.417 -19.517 -0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.784 -16.037 0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.437 -17.634 0.722 1.00 0.00 H new ATOM 592 N LEU A 36 0.488 -14.367 -3.395 1.00 0.00 N ATOM 593 CA LEU A 36 0.819 -13.232 -2.542 1.00 0.00 C ATOM 594 C LEU A 36 0.833 -11.924 -3.323 1.00 0.00 C ATOM 595 O LEU A 36 0.453 -10.881 -2.795 1.00 0.00 O ATOM 596 CB LEU A 36 2.164 -13.446 -1.849 1.00 0.00 C ATOM 597 CG LEU A 36 2.189 -14.572 -0.816 1.00 0.00 C ATOM 598 CD1 LEU A 36 3.545 -14.632 -0.138 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.084 -14.380 0.212 1.00 0.00 C ATOM 0 H LEU A 36 1.199 -15.098 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 36 0.039 -13.161 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.918 -13.654 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.454 -12.517 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 36 2.015 -15.518 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.550 -15.438 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.317 -14.816 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.744 -13.685 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.118 -15.192 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.225 -13.428 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.116 -14.383 -0.289 1.00 0.00 H new ATOM 611 N ASN A 37 1.257 -11.980 -4.581 1.00 0.00 N ATOM 612 CA ASN A 37 1.223 -10.802 -5.438 1.00 0.00 C ATOM 613 C ASN A 37 -0.212 -10.309 -5.586 1.00 0.00 C ATOM 614 O ASN A 37 -0.492 -9.125 -5.419 1.00 0.00 O ATOM 615 CB ASN A 37 1.795 -11.106 -6.820 1.00 0.00 C ATOM 616 CG ASN A 37 1.987 -9.843 -7.643 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.365 -8.798 -7.115 1.00 0.00 O ATOM 618 ND2 ASN A 37 1.704 -9.921 -8.930 1.00 0.00 N ATOM 0 H ASN A 37 1.625 -12.821 -5.026 1.00 0.00 H new ATOM 0 HA ASN A 37 1.835 -10.031 -4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.751 -11.618 -6.713 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.126 -11.786 -7.348 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.796 -9.096 -9.523 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.393 -10.806 -9.331 1.00 0.00 H new ATOM 625 N GLN A 38 -1.118 -11.240 -5.883 1.00 0.00 N ATOM 626 CA GLN A 38 -2.531 -10.940 -6.022 1.00 0.00 C ATOM 627 C GLN A 38 -3.096 -10.367 -4.724 1.00 0.00 C ATOM 628 O GLN A 38 -3.894 -9.433 -4.745 1.00 0.00 O ATOM 629 CB GLN A 38 -3.260 -12.221 -6.403 1.00 0.00 C ATOM 630 CG GLN A 38 -4.332 -12.039 -7.452 1.00 0.00 C ATOM 631 CD GLN A 38 -5.642 -11.518 -6.891 1.00 0.00 C ATOM 632 OE1 GLN A 38 -5.992 -11.779 -5.740 1.00 0.00 O ATOM 633 NE2 GLN A 38 -6.380 -10.778 -7.704 1.00 0.00 N ATOM 0 H GLN A 38 -0.887 -12.222 -6.033 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.670 -10.188 -6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.531 -12.945 -6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.713 -12.647 -5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.971 -11.348 -8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.511 -12.993 -7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.056 -10.583 -8.651 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.272 -10.403 -7.383 1.00 0.00 H new ATOM 642 N GLU A 39 -2.661 -10.931 -3.598 1.00 0.00 N ATOM 643 CA GLU A 39 -3.070 -10.458 -2.284 1.00 0.00 C ATOM 644 C GLU A 39 -2.653 -8.997 -2.083 1.00 0.00 C ATOM 645 O GLU A 39 -3.404 -8.195 -1.521 1.00 0.00 O ATOM 646 CB GLU A 39 -2.441 -11.344 -1.202 1.00 0.00 C ATOM 647 CG GLU A 39 -2.754 -12.830 -1.347 1.00 0.00 C ATOM 648 CD GLU A 39 -4.184 -13.188 -0.983 1.00 0.00 C ATOM 649 OE1 GLU A 39 -5.120 -12.658 -1.617 1.00 0.00 O ATOM 650 OE2 GLU A 39 -4.377 -14.022 -0.068 1.00 0.00 O ATOM 0 H GLU A 39 -2.019 -11.723 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.156 -10.515 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.360 -11.209 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.787 -11.005 -0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.563 -13.134 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.073 -13.400 -0.714 1.00 0.00 H new ATOM 657 N ILE A 40 -1.455 -8.657 -2.559 1.00 0.00 N ATOM 658 CA ILE A 40 -0.964 -7.282 -2.500 1.00 0.00 C ATOM 659 C ILE A 40 -1.810 -6.378 -3.392 1.00 0.00 C ATOM 660 O ILE A 40 -2.263 -5.316 -2.961 1.00 0.00 O ATOM 661 CB ILE A 40 0.515 -7.179 -2.940 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.412 -8.039 -2.043 1.00 0.00 C ATOM 663 CG2 ILE A 40 0.976 -5.726 -2.909 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.864 -8.054 -2.476 1.00 0.00 C ATOM 0 H ILE A 40 -0.807 -9.316 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.039 -6.960 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 40 0.594 -7.552 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.350 -7.669 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.033 -9.061 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.019 -5.668 -3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.361 -5.135 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.878 -5.335 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.440 -8.682 -1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.938 -8.452 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.260 -7.039 -2.456 1.00 0.00 H new ATOM 676 N VAL A 41 -2.030 -6.817 -4.631 1.00 0.00 N ATOM 677 CA VAL A 41 -2.842 -6.065 -5.583 1.00 0.00 C ATOM 678 C VAL A 41 -4.231 -5.810 -5.011 1.00 0.00 C ATOM 679 O VAL A 41 -4.758 -4.703 -5.103 1.00 0.00 O ATOM 680 CB VAL A 41 -2.982 -6.805 -6.936 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.807 -5.984 -7.917 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.615 -7.120 -7.524 1.00 0.00 C ATOM 0 H VAL A 41 -1.656 -7.692 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.331 -5.119 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.501 -7.746 -6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.892 -6.523 -8.861 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.802 -5.815 -7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.319 -5.025 -8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.739 -7.640 -8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.066 -6.192 -7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.059 -7.754 -6.833 1.00 0.00 H new ATOM 692 N LYS A 42 -4.804 -6.842 -4.408 1.00 0.00 N ATOM 693 CA LYS A 42 -6.127 -6.754 -3.808 1.00 0.00 C ATOM 694 C LYS A 42 -6.151 -5.727 -2.678 1.00 0.00 C ATOM 695 O LYS A 42 -7.052 -4.889 -2.608 1.00 0.00 O ATOM 696 CB LYS A 42 -6.543 -8.128 -3.281 1.00 0.00 C ATOM 697 CG LYS A 42 -7.887 -8.142 -2.572 1.00 0.00 C ATOM 698 CD LYS A 42 -8.204 -9.527 -2.038 1.00 0.00 C ATOM 699 CE LYS A 42 -9.504 -9.545 -1.255 1.00 0.00 C ATOM 700 NZ LYS A 42 -9.805 -10.897 -0.716 1.00 0.00 N ATOM 0 H LYS A 42 -4.367 -7.760 -4.321 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.833 -6.428 -4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.577 -8.829 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.778 -8.488 -2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.877 -7.425 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.670 -7.826 -3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.270 -10.230 -2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.389 -9.865 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.443 -8.831 -0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.321 -9.220 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.700 -10.869 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.888 -11.573 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.038 -11.196 -0.081 1.00 0.00 H new ATOM 714 N ALA A 43 -5.143 -5.782 -1.812 1.00 0.00 N ATOM 715 CA ALA A 43 -5.064 -4.881 -0.667 1.00 0.00 C ATOM 716 C ALA A 43 -4.895 -3.436 -1.113 1.00 0.00 C ATOM 717 O ALA A 43 -5.613 -2.549 -0.649 1.00 0.00 O ATOM 718 CB ALA A 43 -3.921 -5.285 0.250 1.00 0.00 C ATOM 0 H ALA A 43 -4.369 -6.442 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.002 -4.958 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.877 -4.602 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.085 -6.301 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.981 -5.242 -0.300 1.00 0.00 H new ATOM 724 N GLU A 44 -3.959 -3.213 -2.031 1.00 0.00 N ATOM 725 CA GLU A 44 -3.714 -1.879 -2.568 1.00 0.00 C ATOM 726 C GLU A 44 -4.956 -1.352 -3.278 1.00 0.00 C ATOM 727 O GLU A 44 -5.396 -0.233 -3.027 1.00 0.00 O ATOM 728 CB GLU A 44 -2.533 -1.903 -3.544 1.00 0.00 C ATOM 729 CG GLU A 44 -1.188 -2.154 -2.884 1.00 0.00 C ATOM 730 CD GLU A 44 -0.713 -0.972 -2.063 1.00 0.00 C ATOM 731 OE1 GLU A 44 -1.071 -0.875 -0.884 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.049 -0.131 -2.599 1.00 0.00 O ATOM 0 H GLU A 44 -3.357 -3.940 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.474 -1.217 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.709 -2.677 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.494 -0.951 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.260 -3.032 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.447 -2.380 -3.651 1.00 0.00 H new ATOM 739 N LYS A 45 -5.533 -2.185 -4.137 1.00 0.00 N ATOM 740 CA LYS A 45 -6.703 -1.802 -4.917 1.00 0.00 C ATOM 741 C LYS A 45 -7.859 -1.411 -4.003 1.00 0.00 C ATOM 742 O LYS A 45 -8.556 -0.423 -4.251 1.00 0.00 O ATOM 743 CB LYS A 45 -7.121 -2.958 -5.829 1.00 0.00 C ATOM 744 CG LYS A 45 -8.161 -2.587 -6.873 1.00 0.00 C ATOM 745 CD LYS A 45 -8.619 -3.806 -7.661 1.00 0.00 C ATOM 746 CE LYS A 45 -7.462 -4.490 -8.379 1.00 0.00 C ATOM 747 NZ LYS A 45 -7.899 -5.719 -9.090 1.00 0.00 N ATOM 0 H LYS A 45 -5.207 -3.136 -4.311 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.444 -0.938 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.236 -3.344 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.514 -3.767 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.019 -2.124 -6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.745 -1.846 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.097 -4.516 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.371 -3.505 -8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.017 -3.797 -9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.687 -4.745 -7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.083 -6.154 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.300 -6.392 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.621 -5.473 -9.797 1.00 0.00 H new ATOM 761 N GLN A 46 -8.060 -2.188 -2.947 1.00 0.00 N ATOM 762 CA GLN A 46 -9.122 -1.914 -1.993 1.00 0.00 C ATOM 763 C GLN A 46 -8.818 -0.644 -1.200 1.00 0.00 C ATOM 764 O GLN A 46 -9.688 0.206 -1.010 1.00 0.00 O ATOM 765 CB GLN A 46 -9.295 -3.093 -1.036 1.00 0.00 C ATOM 766 CG GLN A 46 -10.655 -3.127 -0.356 1.00 0.00 C ATOM 767 CD GLN A 46 -11.788 -3.368 -1.339 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.609 -4.030 -2.360 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.964 -2.835 -1.043 1.00 0.00 N ATOM 0 H GLN A 46 -7.500 -3.013 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.049 -1.768 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.150 -4.022 -1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.517 -3.049 -0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.661 -3.912 0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.822 -2.183 0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.077 -2.291 -0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.757 -2.968 -1.671 1.00 0.00 H new ATOM 778 N GLY A 47 -7.571 -0.520 -0.748 1.00 0.00 N ATOM 779 CA GLY A 47 -7.173 0.617 0.065 1.00 0.00 C ATOM 780 C GLY A 47 -7.328 1.943 -0.651 1.00 0.00 C ATOM 781 O GLY A 47 -7.888 2.891 -0.093 1.00 0.00 O ATOM 0 H GLY A 47 -6.826 -1.192 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.770 0.631 0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.133 0.494 0.367 1.00 0.00 H new ATOM 785 N VAL A 48 -6.865 2.009 -1.894 1.00 0.00 N ATOM 786 CA VAL A 48 -6.961 3.235 -2.682 1.00 0.00 C ATOM 787 C VAL A 48 -8.421 3.624 -2.894 1.00 0.00 C ATOM 788 O VAL A 48 -8.766 4.804 -2.927 1.00 0.00 O ATOM 789 CB VAL A 48 -6.268 3.105 -4.054 1.00 0.00 C ATOM 790 CG1 VAL A 48 -6.246 4.445 -4.768 1.00 0.00 C ATOM 791 CG2 VAL A 48 -4.855 2.576 -3.898 1.00 0.00 C ATOM 0 H VAL A 48 -6.420 1.230 -2.379 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.448 4.011 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.838 2.395 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.753 4.334 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.268 4.793 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.701 5.170 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.387 2.493 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.277 3.260 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.884 1.594 -3.426 1.00 0.00 H new ATOM 801 N LYS A 49 -9.272 2.620 -3.049 1.00 0.00 N ATOM 802 CA LYS A 49 -10.704 2.836 -3.203 1.00 0.00 C ATOM 803 C LYS A 49 -11.263 3.550 -1.969 1.00 0.00 C ATOM 804 O LYS A 49 -12.134 4.414 -2.076 1.00 0.00 O ATOM 805 CB LYS A 49 -11.401 1.488 -3.395 1.00 0.00 C ATOM 806 CG LYS A 49 -12.787 1.576 -4.008 1.00 0.00 C ATOM 807 CD LYS A 49 -13.472 0.219 -3.999 1.00 0.00 C ATOM 808 CE LYS A 49 -14.701 0.193 -4.895 1.00 0.00 C ATOM 809 NZ LYS A 49 -14.342 0.182 -6.340 1.00 0.00 N ATOM 0 H LYS A 49 -8.992 1.639 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.885 3.462 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.777 0.858 -4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.477 0.992 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.389 2.295 -3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.714 1.944 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.767 -0.545 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.762 -0.034 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.299 -0.689 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.322 1.063 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.193 -0.006 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.945 1.106 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.637 -0.562 -6.517 1.00 0.00 H new ATOM 823 N VAL A 50 -10.749 3.177 -0.800 1.00 0.00 N ATOM 824 CA VAL A 50 -11.140 3.806 0.458 1.00 0.00 C ATOM 825 C VAL A 50 -10.583 5.229 0.549 1.00 0.00 C ATOM 826 O VAL A 50 -11.277 6.151 0.986 1.00 0.00 O ATOM 827 CB VAL A 50 -10.661 2.981 1.674 1.00 0.00 C ATOM 828 CG1 VAL A 50 -11.071 3.647 2.980 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.208 1.563 1.604 1.00 0.00 C ATOM 0 H VAL A 50 -10.055 2.436 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.229 3.847 0.476 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.572 2.935 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.722 3.046 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.628 4.641 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.157 3.731 3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.861 0.996 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.298 1.593 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.858 1.083 0.690 1.00 0.00 H new ATOM 839 N TYR A 51 -9.334 5.406 0.127 1.00 0.00 N ATOM 840 CA TYR A 51 -8.709 6.727 0.122 1.00 0.00 C ATOM 841 C TYR A 51 -9.447 7.673 -0.822 1.00 0.00 C ATOM 842 O TYR A 51 -9.634 8.846 -0.512 1.00 0.00 O ATOM 843 CB TYR A 51 -7.230 6.641 -0.277 1.00 0.00 C ATOM 844 CG TYR A 51 -6.344 5.997 0.764 1.00 0.00 C ATOM 845 CD1 TYR A 51 -6.212 6.557 2.029 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.632 4.840 0.481 1.00 0.00 C ATOM 847 CE1 TYR A 51 -5.398 5.979 2.982 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.817 4.254 1.429 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.705 4.827 2.677 1.00 0.00 C ATOM 850 OH TYR A 51 -3.894 4.249 3.624 1.00 0.00 O ATOM 0 H TYR A 51 -8.736 4.654 -0.215 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.770 7.121 1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.148 6.077 -1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.861 7.646 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.755 7.459 2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.717 4.390 -0.497 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.305 6.426 3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.271 3.352 1.194 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.420 4.048 4.426 1.00 0.00 H new ATOM 860 N LYS A 52 -9.875 7.152 -1.970 1.00 0.00 N ATOM 861 CA LYS A 52 -10.654 7.935 -2.928 1.00 0.00 C ATOM 862 C LYS A 52 -11.969 8.400 -2.309 1.00 0.00 C ATOM 863 O LYS A 52 -12.444 9.499 -2.587 1.00 0.00 O ATOM 864 CB LYS A 52 -10.918 7.124 -4.201 1.00 0.00 C ATOM 865 CG LYS A 52 -9.823 7.264 -5.248 1.00 0.00 C ATOM 866 CD LYS A 52 -10.273 6.752 -6.610 1.00 0.00 C ATOM 867 CE LYS A 52 -10.404 5.237 -6.640 1.00 0.00 C ATOM 868 NZ LYS A 52 -9.084 4.563 -6.516 1.00 0.00 N ATOM 0 H LYS A 52 -9.696 6.191 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.072 8.817 -3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.024 6.072 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.867 7.441 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.532 8.311 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.940 6.712 -4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.231 7.203 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.558 7.068 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.055 4.913 -5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.881 4.932 -7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.942 3.926 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.329 5.278 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.057 4.013 -5.634 1.00 0.00 H new ATOM 882 N GLU A 53 -12.546 7.554 -1.468 1.00 0.00 N ATOM 883 CA GLU A 53 -13.756 7.879 -0.744 1.00 0.00 C ATOM 884 C GLU A 53 -13.498 9.026 0.239 1.00 0.00 C ATOM 885 O GLU A 53 -14.264 9.988 0.313 1.00 0.00 O ATOM 886 CB GLU A 53 -14.197 6.618 -0.011 1.00 0.00 C ATOM 887 CG GLU A 53 -15.680 6.507 0.236 1.00 0.00 C ATOM 888 CD GLU A 53 -16.162 7.367 1.382 1.00 0.00 C ATOM 889 OE1 GLU A 53 -15.805 7.080 2.545 1.00 0.00 O ATOM 890 OE2 GLU A 53 -16.902 8.334 1.132 1.00 0.00 O ATOM 0 H GLU A 53 -12.183 6.621 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.539 8.212 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.874 5.750 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.680 6.574 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.214 6.790 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.930 5.466 0.442 1.00 0.00 H new ATOM 897 N ALA A 54 -12.398 8.916 0.974 1.00 0.00 N ATOM 898 CA ALA A 54 -12.012 9.923 1.956 1.00 0.00 C ATOM 899 C ALA A 54 -11.635 11.245 1.293 1.00 0.00 C ATOM 900 O ALA A 54 -11.821 12.311 1.874 1.00 0.00 O ATOM 901 CB ALA A 54 -10.861 9.408 2.806 1.00 0.00 C ATOM 0 H ALA A 54 -11.751 8.130 0.907 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.874 10.113 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.580 10.167 3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.170 8.501 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.007 9.186 2.166 1.00 0.00 H new ATOM 907 N ALA A 55 -11.080 11.164 0.087 1.00 0.00 N ATOM 908 CA ALA A 55 -10.632 12.344 -0.647 1.00 0.00 C ATOM 909 C ALA A 55 -11.753 13.370 -0.827 1.00 0.00 C ATOM 910 O ALA A 55 -11.513 14.574 -0.747 1.00 0.00 O ATOM 911 CB ALA A 55 -10.066 11.936 -2.001 1.00 0.00 C ATOM 0 H ALA A 55 -10.929 10.284 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.849 12.819 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.735 12.824 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.220 11.264 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.837 11.427 -2.579 1.00 0.00 H new ATOM 917 N GLU A 56 -12.974 12.899 -1.059 1.00 0.00 N ATOM 918 CA GLU A 56 -14.111 13.803 -1.221 1.00 0.00 C ATOM 919 C GLU A 56 -14.560 14.350 0.130 1.00 0.00 C ATOM 920 O GLU A 56 -15.205 15.395 0.210 1.00 0.00 O ATOM 921 CB GLU A 56 -15.276 13.099 -1.910 1.00 0.00 C ATOM 922 CG GLU A 56 -14.958 12.623 -3.313 1.00 0.00 C ATOM 923 CD GLU A 56 -16.207 12.346 -4.117 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.718 11.210 -4.067 1.00 0.00 O ATOM 925 OE2 GLU A 56 -16.687 13.274 -4.802 1.00 0.00 O ATOM 0 H GLU A 56 -13.202 11.908 -1.139 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.788 14.634 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.580 12.244 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.127 13.779 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.359 13.377 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.354 11.717 -3.260 1.00 0.00 H new ATOM 932 N LYS A 57 -14.199 13.636 1.184 1.00 0.00 N ATOM 933 CA LYS A 57 -14.546 14.019 2.541 1.00 0.00 C ATOM 934 C LYS A 57 -13.433 14.858 3.168 1.00 0.00 C ATOM 935 O LYS A 57 -13.450 15.143 4.371 1.00 0.00 O ATOM 936 CB LYS A 57 -14.814 12.766 3.369 1.00 0.00 C ATOM 937 CG LYS A 57 -16.158 12.128 3.064 1.00 0.00 C ATOM 938 CD LYS A 57 -16.300 10.767 3.724 1.00 0.00 C ATOM 939 CE LYS A 57 -17.673 10.173 3.461 1.00 0.00 C ATOM 940 NZ LYS A 57 -17.719 8.725 3.785 1.00 0.00 N ATOM 0 H LYS A 57 -13.657 12.774 1.122 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.448 14.630 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.023 12.039 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.771 13.021 4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.958 12.784 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.274 12.023 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.531 10.094 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.141 10.862 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.418 10.702 4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.938 10.320 2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.424 8.256 3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.784 8.302 3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.982 8.601 4.784 1.00 0.00 H new ATOM 954 N ALA A 58 -12.469 15.252 2.343 1.00 0.00 N ATOM 955 CA ALA A 58 -11.364 16.078 2.802 1.00 0.00 C ATOM 956 C ALA A 58 -11.817 17.518 2.986 1.00 0.00 C ATOM 957 O ALA A 58 -11.991 18.261 2.021 1.00 0.00 O ATOM 958 CB ALA A 58 -10.191 16.002 1.833 1.00 0.00 C ATOM 0 H ALA A 58 -12.433 15.011 1.353 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.030 15.696 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.377 16.628 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.849 14.970 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.507 16.354 0.851 1.00 0.00 H new ATOM 964 N ARG A 59 -12.027 17.899 4.235 1.00 0.00 N ATOM 965 CA ARG A 59 -12.464 19.249 4.565 1.00 0.00 C ATOM 966 C ARG A 59 -11.291 20.216 4.573 1.00 0.00 C ATOM 967 O ARG A 59 -11.475 21.432 4.538 1.00 0.00 O ATOM 968 CB ARG A 59 -13.162 19.255 5.925 1.00 0.00 C ATOM 969 CG ARG A 59 -14.581 18.718 5.874 1.00 0.00 C ATOM 970 CD ARG A 59 -14.868 17.766 7.023 1.00 0.00 C ATOM 971 NE ARG A 59 -14.268 16.448 6.807 1.00 0.00 N ATOM 972 CZ ARG A 59 -14.036 15.565 7.777 1.00 0.00 C ATOM 973 NH1 ARG A 59 -14.304 15.873 9.040 1.00 0.00 N ATOM 974 NH2 ARG A 59 -13.538 14.372 7.481 1.00 0.00 N ATOM 0 H ARG A 59 -11.901 17.289 5.043 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.168 19.577 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.580 18.658 6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.180 20.274 6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.285 19.549 5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.740 18.202 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.484 18.191 7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.946 17.658 7.144 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.012 16.190 5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.689 16.789 9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.125 15.194 9.780 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.333 14.131 6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.360 13.695 8.223 1.00 0.00 H new ATOM 988 N ASN A 60 -10.085 19.664 4.612 1.00 0.00 N ATOM 989 CA ASN A 60 -8.872 20.467 4.656 1.00 0.00 C ATOM 990 C ASN A 60 -8.032 20.213 3.413 1.00 0.00 C ATOM 991 O ASN A 60 -7.676 19.067 3.126 1.00 0.00 O ATOM 992 CB ASN A 60 -8.044 20.135 5.903 1.00 0.00 C ATOM 993 CG ASN A 60 -8.842 20.267 7.182 1.00 0.00 C ATOM 994 OD1 ASN A 60 -9.487 19.315 7.621 1.00 0.00 O ATOM 995 ND2 ASN A 60 -8.807 21.440 7.789 1.00 0.00 N ATOM 0 H ASN A 60 -9.922 18.657 4.614 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.162 21.517 4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.662 19.118 5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.180 20.798 5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.327 21.582 8.655 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.260 22.204 7.392 1.00 0.00 H new ATOM 1002 N PRO A 61 -7.702 21.275 2.662 1.00 0.00 N ATOM 1003 CA PRO A 61 -6.885 21.171 1.444 1.00 0.00 C ATOM 1004 C PRO A 61 -5.504 20.590 1.736 1.00 0.00 C ATOM 1005 O PRO A 61 -4.888 19.954 0.877 1.00 0.00 O ATOM 1006 CB PRO A 61 -6.767 22.619 0.954 1.00 0.00 C ATOM 1007 CG PRO A 61 -7.895 23.340 1.609 1.00 0.00 C ATOM 1008 CD PRO A 61 -8.103 22.665 2.933 1.00 0.00 C ATOM 0 HA PRO A 61 -7.333 20.504 0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.807 23.053 1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.840 22.675 -0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.659 24.396 1.742 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.797 23.290 0.999 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.493 23.116 3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.141 22.729 3.260 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.036 20.805 2.959 1.00 0.00 N ATOM 1017 CA GLU A 62 -3.762 20.290 3.405 1.00 0.00 C ATOM 1018 C GLU A 62 -3.772 18.771 3.429 1.00 0.00 C ATOM 1019 O GLU A 62 -2.860 18.118 2.925 1.00 0.00 O ATOM 1020 CB GLU A 62 -3.514 20.800 4.813 1.00 0.00 C ATOM 1021 CG GLU A 62 -3.617 22.304 4.963 1.00 0.00 C ATOM 1022 CD GLU A 62 -3.587 22.728 6.414 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -4.662 22.761 7.048 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -2.492 23.017 6.930 1.00 0.00 O ATOM 0 H GLU A 62 -5.536 21.344 3.666 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.981 20.621 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.230 20.330 5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.521 20.483 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.795 22.780 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.541 22.653 4.502 1.00 0.00 H new ATOM 1031 N LYS A 63 -4.835 18.224 3.990 1.00 0.00 N ATOM 1032 CA LYS A 63 -4.970 16.784 4.119 1.00 0.00 C ATOM 1033 C LYS A 63 -5.272 16.160 2.762 1.00 0.00 C ATOM 1034 O LYS A 63 -4.848 15.042 2.477 1.00 0.00 O ATOM 1035 CB LYS A 63 -6.066 16.436 5.133 1.00 0.00 C ATOM 1036 CG LYS A 63 -5.922 17.171 6.460 1.00 0.00 C ATOM 1037 CD LYS A 63 -6.849 16.595 7.521 1.00 0.00 C ATOM 1038 CE LYS A 63 -6.941 17.499 8.745 1.00 0.00 C ATOM 1039 NZ LYS A 63 -5.605 17.866 9.288 1.00 0.00 N ATOM 0 H LYS A 63 -5.620 18.757 4.365 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.028 16.376 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.038 16.671 4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.051 15.362 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.890 17.105 6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.144 18.229 6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.843 16.455 7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.489 15.611 7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.484 18.407 8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.519 16.996 9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.719 18.305 10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.019 17.011 9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.142 18.539 8.644 1.00 0.00 H new ATOM 1053 N ARG A 64 -5.988 16.902 1.918 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.274 16.444 0.564 1.00 0.00 C ATOM 1055 C ARG A 64 -4.976 16.249 -0.205 1.00 0.00 C ATOM 1056 O ARG A 64 -4.840 15.289 -0.953 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.196 17.431 -0.175 1.00 0.00 C ATOM 1058 CG ARG A 64 -7.508 17.028 -1.617 1.00 0.00 C ATOM 1059 CD ARG A 64 -6.480 17.582 -2.601 1.00 0.00 C ATOM 1060 NE ARG A 64 -6.417 16.807 -3.843 1.00 0.00 N ATOM 1061 CZ ARG A 64 -6.391 17.348 -5.064 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -6.461 18.669 -5.216 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -6.263 16.566 -6.132 1.00 0.00 N ATOM 0 H ARG A 64 -6.377 17.816 2.148 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.795 15.489 0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.132 17.521 0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.730 18.416 -0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.533 15.941 -1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.500 17.389 -1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.727 18.618 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.497 17.588 -2.130 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.391 15.790 -3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.535 19.273 -4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.441 19.077 -6.151 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.185 15.555 -6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.243 16.977 -7.065 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.028 17.158 -0.006 1.00 0.00 N ATOM 1078 CA GLN A 65 -2.733 17.077 -0.675 1.00 0.00 C ATOM 1079 C GLN A 65 -2.032 15.777 -0.284 1.00 0.00 C ATOM 1080 O GLN A 65 -1.544 15.045 -1.143 1.00 0.00 O ATOM 1081 CB GLN A 65 -1.886 18.298 -0.288 1.00 0.00 C ATOM 1082 CG GLN A 65 -0.872 18.743 -1.333 1.00 0.00 C ATOM 1083 CD GLN A 65 0.197 17.712 -1.612 1.00 0.00 C ATOM 1084 OE1 GLN A 65 0.085 16.921 -2.547 1.00 0.00 O ATOM 1085 NE2 GLN A 65 1.230 17.700 -0.787 1.00 0.00 N ATOM 0 H GLN A 65 -4.131 17.961 0.614 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.871 17.077 -1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.555 19.132 -0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.355 18.073 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.395 18.973 -2.261 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.398 19.665 -0.998 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.282 18.375 -0.024 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.975 17.015 -0.913 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.022 15.485 1.011 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.416 14.257 1.512 1.00 0.00 C ATOM 1096 C VAL A 66 -2.105 13.037 0.908 1.00 0.00 C ATOM 1097 O VAL A 66 -1.450 12.154 0.352 1.00 0.00 O ATOM 1098 CB VAL A 66 -1.487 14.174 3.054 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -0.783 12.923 3.560 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -0.889 15.423 3.686 1.00 0.00 C ATOM 0 H VAL A 66 -2.426 16.081 1.733 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.367 14.270 1.216 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.536 14.113 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.845 12.885 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.263 12.040 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.264 12.947 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.948 15.346 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.154 15.519 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.444 16.300 3.354 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.432 13.009 0.997 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.218 11.896 0.472 1.00 0.00 C ATOM 1112 C ILE A 67 -4.014 11.741 -1.034 1.00 0.00 C ATOM 1113 O ILE A 67 -3.832 10.635 -1.529 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.726 12.071 0.771 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -5.965 12.128 2.283 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.536 10.937 0.150 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.409 12.381 2.666 1.00 0.00 C ATOM 0 H ILE A 67 -3.987 13.747 1.429 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.866 10.996 0.976 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.056 13.010 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.640 11.187 2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.343 12.914 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.593 11.081 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.390 10.935 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.204 9.984 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.498 12.408 3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.733 13.336 2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.036 11.582 2.270 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.035 12.860 -1.748 1.00 0.00 N ATOM 1130 CA ASP A 68 -3.865 12.860 -3.202 1.00 0.00 C ATOM 1131 C ASP A 68 -2.517 12.279 -3.592 1.00 0.00 C ATOM 1132 O ASP A 68 -2.426 11.476 -4.524 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.984 14.282 -3.743 1.00 0.00 C ATOM 1134 CG ASP A 68 -3.918 14.341 -5.252 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -4.973 14.167 -5.900 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -2.820 14.574 -5.797 1.00 0.00 O ATOM 0 H ASP A 68 -4.169 13.787 -1.343 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.649 12.239 -3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.926 14.716 -3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.184 14.893 -3.325 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.473 12.682 -2.876 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.148 12.110 -3.098 1.00 0.00 C ATOM 1143 C LYS A 69 -0.179 10.606 -2.889 1.00 0.00 C ATOM 1144 O LYS A 69 0.313 9.848 -3.722 1.00 0.00 O ATOM 1145 CB LYS A 69 0.883 12.731 -2.157 1.00 0.00 C ATOM 1146 CG LYS A 69 1.314 14.131 -2.549 1.00 0.00 C ATOM 1147 CD LYS A 69 2.015 14.137 -3.899 1.00 0.00 C ATOM 1148 CE LYS A 69 2.558 15.514 -4.242 1.00 0.00 C ATOM 1149 NZ LYS A 69 3.572 15.973 -3.259 1.00 0.00 N ATOM 0 H LYS A 69 -1.515 13.393 -2.146 1.00 0.00 H new ATOM 0 HA LYS A 69 0.139 12.328 -4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.469 12.759 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.762 12.088 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.443 14.785 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.982 14.534 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.832 13.416 -3.888 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.317 13.817 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.002 15.491 -5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.736 16.229 -4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.216 16.650 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.095 16.434 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.116 15.156 -2.914 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.802 10.183 -1.798 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.948 8.766 -1.500 1.00 0.00 C ATOM 1165 C ILE A 70 -1.723 8.069 -2.615 1.00 0.00 C ATOM 1166 O ILE A 70 -1.349 6.989 -3.059 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.670 8.547 -0.149 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.865 9.180 0.988 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.890 7.064 0.115 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.544 9.095 2.338 1.00 0.00 C ATOM 0 H ILE A 70 -1.216 10.804 -1.102 1.00 0.00 H new ATOM 0 HA ILE A 70 0.051 8.337 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.646 9.029 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.107 8.690 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.680 10.227 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.399 6.936 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.501 6.639 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.928 6.553 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.913 9.565 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.504 9.610 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.705 8.049 2.599 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.775 8.725 -3.083 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.641 8.191 -4.118 1.00 0.00 C ATOM 1184 C LEU A 71 -2.863 7.848 -5.382 1.00 0.00 C ATOM 1185 O LEU A 71 -2.974 6.740 -5.904 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.730 9.222 -4.428 1.00 0.00 C ATOM 1187 CG LEU A 71 -5.905 9.250 -3.450 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -6.867 10.373 -3.807 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -6.625 7.914 -3.456 1.00 0.00 C ATOM 0 H LEU A 71 -3.051 9.649 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.090 7.266 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.274 10.212 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.117 9.027 -5.428 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.519 9.433 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.698 10.379 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.344 11.328 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.249 10.218 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.459 7.947 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.001 7.708 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.933 7.126 -3.159 1.00 0.00 H new ATOM 1201 N GLU A 72 -2.060 8.787 -5.856 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.281 8.593 -7.048 1.00 0.00 C ATOM 1203 C GLU A 72 -0.171 7.568 -6.828 1.00 0.00 C ATOM 1204 O GLU A 72 0.082 6.725 -7.689 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.699 9.936 -7.457 1.00 0.00 C ATOM 1206 CG GLU A 72 -1.749 10.969 -7.837 1.00 0.00 C ATOM 1207 CD GLU A 72 -2.483 10.615 -9.117 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -3.504 9.895 -9.050 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -2.042 11.058 -10.195 1.00 0.00 O ATOM 0 H GLU A 72 -1.936 9.700 -5.419 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.920 8.202 -7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.099 10.327 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.026 9.788 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.469 11.065 -7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.270 11.941 -7.955 1.00 0.00 H new ATOM 1216 N ASP A 73 0.483 7.633 -5.674 1.00 0.00 N ATOM 1217 CA ASP A 73 1.584 6.719 -5.383 1.00 0.00 C ATOM 1218 C ASP A 73 1.087 5.291 -5.194 1.00 0.00 C ATOM 1219 O ASP A 73 1.742 4.349 -5.625 1.00 0.00 O ATOM 1220 CB ASP A 73 2.392 7.171 -4.160 1.00 0.00 C ATOM 1221 CG ASP A 73 3.353 8.304 -4.485 1.00 0.00 C ATOM 1222 OD1 ASP A 73 4.335 8.068 -5.220 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.126 9.437 -4.015 1.00 0.00 O ATOM 0 H ASP A 73 0.274 8.300 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 73 2.247 6.739 -6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.708 7.493 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.954 6.324 -3.766 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.072 5.119 -4.568 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.629 3.781 -4.400 1.00 0.00 C ATOM 1230 C GLU A 74 -1.079 3.227 -5.753 1.00 0.00 C ATOM 1231 O GLU A 74 -0.893 2.043 -6.034 1.00 0.00 O ATOM 1232 CB GLU A 74 -1.794 3.777 -3.407 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.420 4.196 -1.988 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.529 3.204 -1.257 1.00 0.00 C ATOM 1235 OE1 GLU A 74 0.037 2.286 -1.897 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.365 3.352 -0.018 1.00 0.00 O ATOM 0 H GLU A 74 -0.635 5.873 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 74 0.153 3.140 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.571 4.446 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.224 2.776 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.914 5.160 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.334 4.339 -1.411 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.653 4.090 -6.594 1.00 0.00 N ATOM 1244 CA GLU A 75 -1.994 3.715 -7.963 1.00 0.00 C ATOM 1245 C GLU A 75 -0.743 3.258 -8.708 1.00 0.00 C ATOM 1246 O GLU A 75 -0.764 2.286 -9.470 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.636 4.901 -8.699 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.110 5.123 -8.377 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.942 3.852 -8.435 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.519 2.883 -9.100 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.984 3.803 -7.755 1.00 0.00 O ATOM 0 H GLU A 75 -1.890 5.051 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.710 2.894 -7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.083 5.807 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.531 4.746 -9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.195 5.558 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.521 5.849 -9.078 1.00 0.00 H new ATOM 1258 N LYS A 76 0.341 3.973 -8.463 1.00 0.00 N ATOM 1259 CA LYS A 76 1.651 3.656 -9.011 1.00 0.00 C ATOM 1260 C LYS A 76 2.107 2.262 -8.569 1.00 0.00 C ATOM 1261 O LYS A 76 2.644 1.491 -9.365 1.00 0.00 O ATOM 1262 CB LYS A 76 2.621 4.741 -8.538 1.00 0.00 C ATOM 1263 CG LYS A 76 4.078 4.553 -8.919 1.00 0.00 C ATOM 1264 CD LYS A 76 4.887 5.744 -8.428 1.00 0.00 C ATOM 1265 CE LYS A 76 6.383 5.579 -8.626 1.00 0.00 C ATOM 1266 NZ LYS A 76 7.118 6.780 -8.157 1.00 0.00 N ATOM 0 H LYS A 76 0.337 4.802 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 76 1.616 3.637 -10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.284 5.698 -8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.557 4.807 -7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.464 3.632 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.173 4.456 -10.001 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.555 6.640 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.683 5.900 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.731 4.700 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.597 5.406 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.138 6.642 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.801 7.613 -8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.931 6.928 -7.145 1.00 0.00 H new ATOM 1280 N HIS A 77 1.862 1.938 -7.302 1.00 0.00 N ATOM 1281 CA HIS A 77 2.227 0.633 -6.751 1.00 0.00 C ATOM 1282 C HIS A 77 1.422 -0.482 -7.408 1.00 0.00 C ATOM 1283 O HIS A 77 1.972 -1.517 -7.789 1.00 0.00 O ATOM 1284 CB HIS A 77 1.993 0.592 -5.237 1.00 0.00 C ATOM 1285 CG HIS A 77 2.757 1.622 -4.469 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.362 2.015 -3.210 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.870 2.309 -4.822 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.243 2.932 -2.832 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.171 3.139 -3.777 1.00 0.00 N ATOM 0 H HIS A 77 1.411 2.563 -6.634 1.00 0.00 H new ATOM 0 HA HIS A 77 3.287 0.481 -6.956 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.929 0.725 -5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.264 -0.396 -4.866 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.561 1.673 -2.680 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.415 2.219 -5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.216 3.447 -1.883 1.00 0.00 H new ATOM 1297 N ILE A 78 0.115 -0.259 -7.537 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.784 -1.247 -8.126 1.00 0.00 C ATOM 1299 C ILE A 78 -0.323 -1.636 -9.528 1.00 0.00 C ATOM 1300 O ILE A 78 -0.373 -2.804 -9.906 1.00 0.00 O ATOM 1301 CB ILE A 78 -2.238 -0.719 -8.199 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.741 -0.356 -6.798 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -3.159 -1.750 -8.845 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -4.131 0.244 -6.781 1.00 0.00 C ATOM 0 H ILE A 78 -0.345 0.601 -7.240 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.760 -2.124 -7.479 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.246 0.178 -8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.735 -1.252 -6.177 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.046 0.350 -6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.175 -1.356 -8.885 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.813 -1.964 -9.856 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.148 -2.667 -8.256 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.416 0.474 -5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.140 1.159 -7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.840 -0.468 -7.203 1.00 0.00 H new ATOM 1316 N GLU A 79 0.157 -0.650 -10.275 1.00 0.00 N ATOM 1317 CA GLU A 79 0.588 -0.851 -11.645 1.00 0.00 C ATOM 1318 C GLU A 79 1.723 -1.870 -11.729 1.00 0.00 C ATOM 1319 O GLU A 79 1.729 -2.731 -12.612 1.00 0.00 O ATOM 1320 CB GLU A 79 1.015 0.492 -12.240 1.00 0.00 C ATOM 1321 CG GLU A 79 1.481 0.406 -13.679 1.00 0.00 C ATOM 1322 CD GLU A 79 1.687 1.769 -14.308 1.00 0.00 C ATOM 1323 OE1 GLU A 79 2.784 2.347 -14.155 1.00 0.00 O ATOM 1324 OE2 GLU A 79 0.748 2.271 -14.966 1.00 0.00 O ATOM 0 H GLU A 79 0.257 0.310 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.246 -1.253 -12.221 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.178 1.187 -12.181 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.819 0.908 -11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.415 -0.154 -13.722 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.748 -0.152 -14.262 1.00 0.00 H new ATOM 1331 N TRP A 80 2.670 -1.788 -10.798 1.00 0.00 N ATOM 1332 CA TRP A 80 3.831 -2.674 -10.820 1.00 0.00 C ATOM 1333 C TRP A 80 3.424 -4.117 -10.550 1.00 0.00 C ATOM 1334 O TRP A 80 3.834 -5.036 -11.259 1.00 0.00 O ATOM 1335 CB TRP A 80 4.860 -2.246 -9.772 1.00 0.00 C ATOM 1336 CG TRP A 80 5.291 -0.821 -9.881 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.315 -0.053 -11.006 1.00 0.00 C ATOM 1338 CD2 TRP A 80 5.784 0.003 -8.819 1.00 0.00 C ATOM 1339 NE1 TRP A 80 5.773 1.204 -10.705 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.074 1.260 -9.372 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.005 -0.203 -7.456 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 6.568 2.308 -8.609 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 6.500 0.839 -6.696 1.00 0.00 C ATOM 1344 CH2 TRP A 80 6.779 2.083 -7.276 1.00 0.00 C ATOM 0 H TRP A 80 2.657 -1.123 -10.025 1.00 0.00 H new ATOM 0 HA TRP A 80 4.272 -2.605 -11.814 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.441 -2.412 -8.779 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.738 -2.887 -9.859 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.017 -0.385 -11.990 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.873 1.973 -11.368 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.793 -1.160 -7.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.779 3.270 -9.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 6.674 0.692 -5.640 1.00 0.00 H new ATOM 0 HH2 TRP A 80 7.168 2.880 -6.659 1.00 0.00 H new ATOM 1355 N HIS A 81 2.607 -4.306 -9.525 1.00 0.00 N ATOM 1356 CA HIS A 81 2.157 -5.637 -9.140 1.00 0.00 C ATOM 1357 C HIS A 81 1.188 -6.200 -10.172 1.00 0.00 C ATOM 1358 O HIS A 81 1.121 -7.411 -10.376 1.00 0.00 O ATOM 1359 CB HIS A 81 1.521 -5.605 -7.751 1.00 0.00 C ATOM 1360 CG HIS A 81 2.514 -5.364 -6.656 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.245 -6.362 -6.052 1.00 0.00 N ATOM 1362 CD2 HIS A 81 2.910 -4.206 -6.075 1.00 0.00 C ATOM 1363 CE1 HIS A 81 4.049 -5.793 -5.146 1.00 0.00 C ATOM 1364 NE2 HIS A 81 3.883 -4.483 -5.118 1.00 0.00 N ATOM 0 H HIS A 81 2.241 -3.553 -8.943 1.00 0.00 H new ATOM 0 HA HIS A 81 3.024 -6.296 -9.102 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.762 -4.823 -7.723 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.011 -6.551 -7.569 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.185 -7.359 -6.259 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.531 -3.224 -6.316 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.743 -6.334 -4.520 1.00 0.00 H new ATOM 1372 N LYS A 82 0.445 -5.306 -10.814 1.00 0.00 N ATOM 1373 CA LYS A 82 -0.482 -5.673 -11.878 1.00 0.00 C ATOM 1374 C LYS A 82 0.256 -6.356 -13.026 1.00 0.00 C ATOM 1375 O LYS A 82 -0.169 -7.401 -13.521 1.00 0.00 O ATOM 1376 CB LYS A 82 -1.195 -4.415 -12.378 1.00 0.00 C ATOM 1377 CG LYS A 82 -2.090 -4.618 -13.585 1.00 0.00 C ATOM 1378 CD LYS A 82 -2.596 -3.281 -14.094 1.00 0.00 C ATOM 1379 CE LYS A 82 -3.442 -3.431 -15.340 1.00 0.00 C ATOM 1380 NZ LYS A 82 -3.854 -2.107 -15.875 1.00 0.00 N ATOM 0 H LYS A 82 0.468 -4.307 -10.612 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.216 -6.377 -11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.796 -4.009 -11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.444 -3.665 -12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.539 -5.130 -14.373 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.932 -5.256 -13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.182 -2.795 -13.314 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.748 -2.630 -14.308 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.881 -3.974 -16.100 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.327 -4.025 -15.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.432 -2.242 -16.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.410 -1.600 -15.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.008 -1.551 -16.114 1.00 0.00 H new ATOM 1394 N ALA A 83 1.371 -5.762 -13.437 1.00 0.00 N ATOM 1395 CA ALA A 83 2.170 -6.311 -14.524 1.00 0.00 C ATOM 1396 C ALA A 83 2.815 -7.631 -14.107 1.00 0.00 C ATOM 1397 O ALA A 83 2.960 -8.546 -14.920 1.00 0.00 O ATOM 1398 CB ALA A 83 3.234 -5.313 -14.952 1.00 0.00 C ATOM 0 H ALA A 83 1.741 -4.901 -13.034 1.00 0.00 H new ATOM 0 HA ALA A 83 1.512 -6.505 -15.371 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.824 -5.736 -15.765 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.756 -4.394 -15.291 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.886 -5.092 -14.107 1.00 0.00 H new ATOM 1404 N ALA A 84 3.178 -7.723 -12.831 1.00 0.00 N ATOM 1405 CA ALA A 84 3.832 -8.913 -12.291 1.00 0.00 C ATOM 1406 C ALA A 84 2.938 -10.148 -12.404 1.00 0.00 C ATOM 1407 O ALA A 84 3.430 -11.264 -12.556 1.00 0.00 O ATOM 1408 CB ALA A 84 4.247 -8.679 -10.845 1.00 0.00 C ATOM 0 H ALA A 84 3.029 -6.982 -12.146 1.00 0.00 H new ATOM 0 HA ALA A 84 4.725 -9.101 -12.886 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.733 -9.574 -10.456 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.941 -7.840 -10.797 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.365 -8.455 -10.245 1.00 0.00 H new ATOM 1485 N ALA A 90 11.134 -13.379 -9.722 1.00 0.00 N ATOM 1486 CA ALA A 90 11.235 -13.357 -8.268 1.00 0.00 C ATOM 1487 C ALA A 90 12.266 -12.342 -7.785 1.00 0.00 C ATOM 1488 O ALA A 90 12.050 -11.661 -6.781 1.00 0.00 O ATOM 1489 CB ALA A 90 11.569 -14.745 -7.746 1.00 0.00 C ATOM 0 HA ALA A 90 10.267 -13.049 -7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.642 -14.717 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 90 10.784 -15.443 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.520 -15.072 -8.165 1.00 0.00 H new ATOM 1495 N GLU A 91 13.376 -12.232 -8.506 1.00 0.00 N ATOM 1496 CA GLU A 91 14.455 -11.341 -8.112 1.00 0.00 C ATOM 1497 C GLU A 91 13.989 -9.888 -8.084 1.00 0.00 C ATOM 1498 O GLU A 91 14.191 -9.176 -7.101 1.00 0.00 O ATOM 1499 CB GLU A 91 15.625 -11.487 -9.081 1.00 0.00 C ATOM 1500 CG GLU A 91 16.261 -12.868 -9.078 1.00 0.00 C ATOM 1501 CD GLU A 91 17.411 -12.977 -10.061 1.00 0.00 C ATOM 1502 OE1 GLU A 91 17.160 -13.276 -11.250 1.00 0.00 O ATOM 1503 OE2 GLU A 91 18.573 -12.769 -9.650 1.00 0.00 O ATOM 0 H GLU A 91 13.550 -12.750 -9.367 1.00 0.00 H new ATOM 0 HA GLU A 91 14.773 -11.617 -7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.279 -11.260 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.385 -10.747 -8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.621 -13.097 -8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.505 -13.614 -9.323 1.00 0.00 H new ATOM 1510 N GLN A 92 13.342 -9.465 -9.159 1.00 0.00 N ATOM 1511 CA GLN A 92 12.801 -8.116 -9.242 1.00 0.00 C ATOM 1512 C GLN A 92 11.623 -7.945 -8.292 1.00 0.00 C ATOM 1513 O GLN A 92 11.365 -6.846 -7.810 1.00 0.00 O ATOM 1514 CB GLN A 92 12.377 -7.782 -10.674 1.00 0.00 C ATOM 1515 CG GLN A 92 13.537 -7.543 -11.633 1.00 0.00 C ATOM 1516 CD GLN A 92 14.278 -6.231 -11.388 1.00 0.00 C ATOM 1517 OE1 GLN A 92 14.391 -5.808 -10.133 1.00 0.00 O flip ATOM 1518 NE2 GLN A 92 14.771 -5.608 -12.328 1.00 0.00 N flip ATOM 0 H GLN A 92 13.178 -10.037 -9.988 1.00 0.00 H new ATOM 0 HA GLN A 92 13.589 -7.424 -8.946 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.765 -8.598 -11.059 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.747 -6.893 -10.656 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.243 -8.369 -11.548 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.159 -7.551 -12.655 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.668 -5.957 -13.281 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.282 -4.743 -12.154 1.00 0.00 H new ATOM 1527 N PHE A 93 10.914 -9.036 -8.026 1.00 0.00 N ATOM 1528 CA PHE A 93 9.747 -8.996 -7.151 1.00 0.00 C ATOM 1529 C PHE A 93 10.169 -8.659 -5.726 1.00 0.00 C ATOM 1530 O PHE A 93 9.491 -7.906 -5.029 1.00 0.00 O ATOM 1531 CB PHE A 93 9.009 -10.336 -7.184 1.00 0.00 C ATOM 1532 CG PHE A 93 7.682 -10.319 -6.480 1.00 0.00 C ATOM 1533 CD1 PHE A 93 6.668 -9.477 -6.905 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.450 -11.144 -5.391 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.448 -9.459 -6.261 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.231 -11.129 -4.743 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.230 -10.285 -5.178 1.00 0.00 C ATOM 0 H PHE A 93 11.126 -9.959 -8.403 1.00 0.00 H new ATOM 0 HA PHE A 93 9.070 -8.220 -7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.854 -10.629 -8.223 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.641 -11.099 -6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.834 -8.826 -7.751 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.231 -11.805 -5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.665 -8.799 -6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.061 -11.777 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.277 -10.271 -4.671 1.00 0.00 H new ATOM 1547 N ALA A 94 11.301 -9.210 -5.305 1.00 0.00 N ATOM 1548 CA ALA A 94 11.857 -8.904 -3.994 1.00 0.00 C ATOM 1549 C ALA A 94 12.196 -7.420 -3.887 1.00 0.00 C ATOM 1550 O ALA A 94 11.932 -6.780 -2.868 1.00 0.00 O ATOM 1551 CB ALA A 94 13.091 -9.753 -3.731 1.00 0.00 C ATOM 0 H ALA A 94 11.852 -9.871 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 94 11.107 -9.139 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.495 -9.513 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.820 -10.808 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.843 -9.547 -4.492 1.00 0.00 H new ATOM 1557 N SER A 95 12.764 -6.875 -4.957 1.00 0.00 N ATOM 1558 CA SER A 95 13.098 -5.458 -5.008 1.00 0.00 C ATOM 1559 C SER A 95 11.817 -4.628 -5.063 1.00 0.00 C ATOM 1560 O SER A 95 11.732 -3.543 -4.480 1.00 0.00 O ATOM 1561 CB SER A 95 13.984 -5.170 -6.227 1.00 0.00 C ATOM 1562 OG SER A 95 14.390 -3.813 -6.263 1.00 0.00 O ATOM 0 H SER A 95 13.003 -7.395 -5.802 1.00 0.00 H new ATOM 0 HA SER A 95 13.652 -5.185 -4.110 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.863 -5.814 -6.200 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.440 -5.413 -7.140 1.00 0.00 H new ATOM 0 HG SER A 95 14.954 -3.661 -7.050 1.00 0.00 H new ATOM 1568 N LEU A 96 10.812 -5.170 -5.744 1.00 0.00 N ATOM 1569 CA LEU A 96 9.520 -4.519 -5.880 1.00 0.00 C ATOM 1570 C LEU A 96 8.887 -4.294 -4.517 1.00 0.00 C ATOM 1571 O LEU A 96 8.419 -3.200 -4.216 1.00 0.00 O ATOM 1572 CB LEU A 96 8.600 -5.376 -6.754 1.00 0.00 C ATOM 1573 CG LEU A 96 7.192 -4.822 -6.978 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.258 -3.428 -7.577 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.398 -5.753 -7.882 1.00 0.00 C ATOM 0 H LEU A 96 10.873 -6.072 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 96 9.665 -3.548 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.076 -5.512 -7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.514 -6.363 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 96 6.686 -4.758 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.247 -3.049 -7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.795 -2.765 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.779 -3.467 -8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.398 -5.347 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.902 -5.844 -8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.324 -6.736 -7.417 1.00 0.00 H new ATOM 1587 N VAL A 97 8.894 -5.331 -3.693 1.00 0.00 N ATOM 1588 CA VAL A 97 8.362 -5.236 -2.341 1.00 0.00 C ATOM 1589 C VAL A 97 9.137 -4.200 -1.527 1.00 0.00 C ATOM 1590 O VAL A 97 8.546 -3.413 -0.791 1.00 0.00 O ATOM 1591 CB VAL A 97 8.407 -6.598 -1.613 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.863 -6.482 -0.197 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.636 -7.652 -2.393 1.00 0.00 C ATOM 0 H VAL A 97 9.263 -6.250 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 97 7.321 -4.925 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 97 9.450 -6.907 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.907 -7.456 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.463 -5.767 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.829 -6.140 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.681 -8.603 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.596 -7.342 -2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.078 -7.768 -3.383 1.00 0.00 H new ATOM 1603 N GLN A 98 10.457 -4.184 -1.685 1.00 0.00 N ATOM 1604 CA GLN A 98 11.310 -3.277 -0.923 1.00 0.00 C ATOM 1605 C GLN A 98 11.049 -1.819 -1.291 1.00 0.00 C ATOM 1606 O GLN A 98 10.896 -0.975 -0.410 1.00 0.00 O ATOM 1607 CB GLN A 98 12.783 -3.609 -1.165 1.00 0.00 C ATOM 1608 CG GLN A 98 13.741 -2.762 -0.345 1.00 0.00 C ATOM 1609 CD GLN A 98 15.185 -2.909 -0.790 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.394 -3.123 -2.083 1.00 0.00 O flip ATOM 1611 NE2 GLN A 98 16.106 -2.815 0.021 1.00 0.00 N flip ATOM 0 H GLN A 98 10.960 -4.789 -2.334 1.00 0.00 H new ATOM 0 HA GLN A 98 11.072 -3.411 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.952 -4.661 -0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.008 -3.475 -2.223 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.448 -1.715 -0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.659 -3.042 0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.903 -2.650 1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.073 -2.902 -0.293 1.00 0.00 H new ATOM 1620 N GLN A 99 10.982 -1.520 -2.587 1.00 0.00 N ATOM 1621 CA GLN A 99 10.758 -0.144 -3.024 1.00 0.00 C ATOM 1622 C GLN A 99 9.335 0.292 -2.685 1.00 0.00 C ATOM 1623 O GLN A 99 9.100 1.444 -2.329 1.00 0.00 O ATOM 1624 CB GLN A 99 11.042 0.030 -4.526 1.00 0.00 C ATOM 1625 CG GLN A 99 10.153 -0.793 -5.439 1.00 0.00 C ATOM 1626 CD GLN A 99 10.424 -0.521 -6.906 1.00 0.00 C ATOM 1627 OE1 GLN A 99 10.223 -1.528 -7.741 1.00 0.00 O flip ATOM 1628 NE2 GLN A 99 10.813 0.584 -7.285 1.00 0.00 N flip ATOM 0 H GLN A 99 11.078 -2.200 -3.342 1.00 0.00 H new ATOM 0 HA GLN A 99 11.458 0.496 -2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.929 1.083 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.082 -0.235 -4.718 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.307 -1.852 -5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.108 -0.574 -5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.956 1.334 -6.609 1.00 0.00 H new ATOM 0 HE22 GLN A 99 10.993 0.749 -8.275 1.00 0.00 H new ATOM 1637 N HIS A 100 8.405 -0.651 -2.771 1.00 0.00 N ATOM 1638 CA HIS A 100 7.026 -0.416 -2.369 1.00 0.00 C ATOM 1639 C HIS A 100 6.993 -0.086 -0.877 1.00 0.00 C ATOM 1640 O HIS A 100 6.323 0.852 -0.444 1.00 0.00 O ATOM 1641 CB HIS A 100 6.189 -1.671 -2.664 1.00 0.00 C ATOM 1642 CG HIS A 100 4.706 -1.473 -2.591 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.798 -2.324 -3.177 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.975 -0.512 -1.976 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.572 -1.866 -2.911 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.620 -0.765 -2.182 1.00 0.00 N ATOM 0 H HIS A 100 8.584 -1.593 -3.119 1.00 0.00 H new ATOM 0 HA HIS A 100 6.607 0.421 -2.927 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.444 -2.034 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.472 -2.452 -1.958 1.00 0.00 H new ATOM 0 HD1 HIS A 100 4.022 -3.158 -3.719 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.378 0.318 -1.415 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.659 -2.335 -3.248 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.831 -0.216 -1.841 1.00 0.00 H new ATOM 1654 N LEU A 101 7.755 -0.856 -0.108 1.00 0.00 N ATOM 1655 CA LEU A 101 7.866 -0.673 1.327 1.00 0.00 C ATOM 1656 C LEU A 101 8.384 0.722 1.676 1.00 0.00 C ATOM 1657 O LEU A 101 7.874 1.367 2.592 1.00 0.00 O ATOM 1658 CB LEU A 101 8.790 -1.749 1.899 1.00 0.00 C ATOM 1659 CG LEU A 101 8.090 -2.876 2.662 1.00 0.00 C ATOM 1660 CD1 LEU A 101 9.101 -3.912 3.130 1.00 0.00 C ATOM 1661 CD2 LEU A 101 7.313 -2.319 3.846 1.00 0.00 C ATOM 0 H LEU A 101 8.315 -1.628 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 101 6.874 -0.768 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.361 -2.187 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.507 -1.271 2.567 1.00 0.00 H new ATOM 0 HG LEU A 101 7.386 -3.361 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.585 -4.706 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.614 -4.335 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.829 -3.438 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.822 -3.136 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.998 -1.807 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.562 -1.615 3.489 1.00 0.00 H new ATOM 1673 N GLN A 102 9.392 1.185 0.939 1.00 0.00 N ATOM 1674 CA GLN A 102 9.969 2.490 1.153 1.00 0.00 C ATOM 1675 C GLN A 102 8.937 3.586 0.892 1.00 0.00 C ATOM 1676 O GLN A 102 8.811 4.538 1.666 1.00 0.00 O ATOM 1677 CB GLN A 102 11.164 2.650 0.222 1.00 0.00 C ATOM 1678 CG GLN A 102 12.264 1.621 0.443 1.00 0.00 C ATOM 1679 CD GLN A 102 12.852 1.675 1.839 1.00 0.00 C ATOM 1680 OE1 GLN A 102 13.818 2.392 2.091 1.00 0.00 O ATOM 1681 NE2 GLN A 102 12.279 0.905 2.753 1.00 0.00 N ATOM 0 H GLN A 102 9.824 0.658 0.180 1.00 0.00 H new ATOM 0 HA GLN A 102 10.293 2.581 2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.819 2.582 -0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.583 3.648 0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.863 0.624 0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.058 1.783 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.479 0.325 2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.638 0.893 3.708 1.00 0.00 H new ATOM 1690 N ASP A 103 8.191 3.425 -0.195 1.00 0.00 N ATOM 1691 CA ASP A 103 7.137 4.365 -0.565 1.00 0.00 C ATOM 1692 C ASP A 103 6.048 4.421 0.499 1.00 0.00 C ATOM 1693 O ASP A 103 5.596 5.501 0.879 1.00 0.00 O ATOM 1694 CB ASP A 103 6.519 3.962 -1.906 1.00 0.00 C ATOM 1695 CG ASP A 103 7.191 4.604 -3.102 1.00 0.00 C ATOM 1696 OD1 ASP A 103 8.436 4.705 -3.121 1.00 0.00 O ATOM 1697 OD2 ASP A 103 6.468 5.010 -4.039 1.00 0.00 O ATOM 0 H ASP A 103 8.298 2.644 -0.842 1.00 0.00 H new ATOM 0 HA ASP A 103 7.588 5.354 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.571 2.878 -2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.463 4.232 -1.905 1.00 0.00 H new ATOM 1702 N GLU A 104 5.638 3.254 0.990 1.00 0.00 N ATOM 1703 CA GLU A 104 4.580 3.177 1.993 1.00 0.00 C ATOM 1704 C GLU A 104 4.998 3.856 3.292 1.00 0.00 C ATOM 1705 O GLU A 104 4.166 4.440 3.989 1.00 0.00 O ATOM 1706 CB GLU A 104 4.182 1.724 2.269 1.00 0.00 C ATOM 1707 CG GLU A 104 3.597 0.999 1.063 1.00 0.00 C ATOM 1708 CD GLU A 104 2.352 1.663 0.498 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.887 2.680 1.061 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.820 1.173 -0.525 1.00 0.00 O ATOM 0 H GLU A 104 6.021 2.351 0.710 1.00 0.00 H new ATOM 0 HA GLU A 104 3.716 3.704 1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.059 1.178 2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.453 1.706 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.355 0.942 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.355 -0.025 1.348 1.00 0.00 H new ATOM 1717 N GLN A 105 6.288 3.789 3.612 1.00 0.00 N ATOM 1718 CA GLN A 105 6.807 4.438 4.800 1.00 0.00 C ATOM 1719 C GLN A 105 6.580 5.941 4.737 1.00 0.00 C ATOM 1720 O GLN A 105 6.279 6.569 5.745 1.00 0.00 O ATOM 1721 CB GLN A 105 8.293 4.137 4.964 1.00 0.00 C ATOM 1722 CG GLN A 105 8.588 2.715 5.419 1.00 0.00 C ATOM 1723 CD GLN A 105 10.064 2.471 5.689 1.00 0.00 C ATOM 1724 OE1 GLN A 105 10.771 3.506 6.125 1.00 0.00 O flip ATOM 1725 NE2 GLN A 105 10.565 1.359 5.520 1.00 0.00 N flip ATOM 0 H GLN A 105 6.988 3.291 3.062 1.00 0.00 H new ATOM 0 HA GLN A 105 6.271 4.045 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 105 8.797 4.316 4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.717 4.834 5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 105 8.019 2.504 6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.244 2.017 4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.990 0.586 5.183 1.00 0.00 H new ATOM 0 HE22 GLN A 105 11.555 1.210 5.717 1.00 0.00 H new ATOM 1734 N ARG A 106 6.703 6.503 3.538 1.00 0.00 N ATOM 1735 CA ARG A 106 6.477 7.927 3.327 1.00 0.00 C ATOM 1736 C ARG A 106 5.037 8.297 3.649 1.00 0.00 C ATOM 1737 O ARG A 106 4.781 9.321 4.270 1.00 0.00 O ATOM 1738 CB ARG A 106 6.775 8.306 1.881 1.00 0.00 C ATOM 1739 CG ARG A 106 8.204 8.046 1.444 1.00 0.00 C ATOM 1740 CD ARG A 106 8.387 8.383 -0.024 1.00 0.00 C ATOM 1741 NE ARG A 106 9.756 8.163 -0.478 1.00 0.00 N ATOM 1742 CZ ARG A 106 10.103 8.095 -1.761 1.00 0.00 C ATOM 1743 NH1 ARG A 106 9.177 8.208 -2.704 1.00 0.00 N ATOM 1744 NH2 ARG A 106 11.374 7.919 -2.100 1.00 0.00 N ATOM 0 H ARG A 106 6.959 5.990 2.695 1.00 0.00 H new ATOM 0 HA ARG A 106 7.147 8.472 3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.102 7.751 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.553 9.364 1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.888 8.643 2.047 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.457 7.000 1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.707 7.775 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.114 9.425 -0.192 1.00 0.00 H new ATOM 0 HE ARG A 106 10.486 8.056 0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.200 8.347 -2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.442 8.156 -3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.088 7.835 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.637 7.867 -3.084 1.00 0.00 H new ATOM 1758 N HIS A 107 4.099 7.457 3.220 1.00 0.00 N ATOM 1759 CA HIS A 107 2.682 7.695 3.484 1.00 0.00 C ATOM 1760 C HIS A 107 2.439 7.757 4.985 1.00 0.00 C ATOM 1761 O HIS A 107 1.767 8.664 5.483 1.00 0.00 O ATOM 1762 CB HIS A 107 1.814 6.593 2.866 1.00 0.00 C ATOM 1763 CG HIS A 107 1.917 6.496 1.372 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.501 5.371 0.688 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.384 7.407 0.483 1.00 0.00 C ATOM 1766 CE1 HIS A 107 1.729 5.632 -0.592 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.259 6.848 -0.760 1.00 0.00 N ATOM 0 H HIS A 107 4.293 6.608 2.690 1.00 0.00 H new ATOM 0 HA HIS A 107 2.406 8.646 3.029 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.098 5.635 3.302 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.773 6.771 3.137 1.00 0.00 H new ATOM 0 HD1 HIS A 107 1.103 4.519 1.084 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.779 8.386 0.712 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.513 4.947 -1.399 1.00 0.00 H new ATOM 1775 N VAL A 108 3.009 6.794 5.700 1.00 0.00 N ATOM 1776 CA VAL A 108 2.923 6.769 7.154 1.00 0.00 C ATOM 1777 C VAL A 108 3.602 8.003 7.738 1.00 0.00 C ATOM 1778 O VAL A 108 3.043 8.684 8.595 1.00 0.00 O ATOM 1779 CB VAL A 108 3.570 5.494 7.745 1.00 0.00 C ATOM 1780 CG1 VAL A 108 3.447 5.470 9.264 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.939 4.250 7.142 1.00 0.00 C ATOM 0 H VAL A 108 3.536 6.020 5.295 1.00 0.00 H new ATOM 0 HA VAL A 108 1.866 6.766 7.421 1.00 0.00 H new ATOM 0 HB VAL A 108 4.630 5.506 7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.910 4.563 9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.949 6.342 9.683 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.394 5.488 9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.406 3.362 7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.872 4.240 7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.087 4.254 6.062 1.00 0.00 H new ATOM 1791 N GLU A 109 4.798 8.302 7.240 1.00 0.00 N ATOM 1792 CA GLU A 109 5.556 9.459 7.684 1.00 0.00 C ATOM 1793 C GLU A 109 4.774 10.752 7.486 1.00 0.00 C ATOM 1794 O GLU A 109 4.699 11.589 8.385 1.00 0.00 O ATOM 1795 CB GLU A 109 6.876 9.538 6.917 1.00 0.00 C ATOM 1796 CG GLU A 109 7.972 8.655 7.485 1.00 0.00 C ATOM 1797 CD GLU A 109 9.341 9.061 6.988 1.00 0.00 C ATOM 1798 OE1 GLU A 109 9.689 8.732 5.836 1.00 0.00 O ATOM 1799 OE2 GLU A 109 10.073 9.732 7.748 1.00 0.00 O ATOM 0 H GLU A 109 5.264 7.750 6.521 1.00 0.00 H new ATOM 0 HA GLU A 109 5.751 9.341 8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.699 9.258 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.221 10.572 6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.951 8.707 8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.780 7.618 7.211 1.00 0.00 H new ATOM 1806 N GLU A 110 4.181 10.901 6.317 1.00 0.00 N ATOM 1807 CA GLU A 110 3.475 12.111 5.968 1.00 0.00 C ATOM 1808 C GLU A 110 2.199 12.286 6.788 1.00 0.00 C ATOM 1809 O GLU A 110 1.913 13.387 7.244 1.00 0.00 O ATOM 1810 CB GLU A 110 3.199 12.124 4.462 1.00 0.00 C ATOM 1811 CG GLU A 110 4.389 12.632 3.659 1.00 0.00 C ATOM 1812 CD GLU A 110 4.201 12.549 2.155 1.00 0.00 C ATOM 1813 OE1 GLU A 110 3.598 13.477 1.570 1.00 0.00 O ATOM 1814 OE2 GLU A 110 4.701 11.579 1.544 1.00 0.00 O ATOM 0 H GLU A 110 4.177 10.188 5.588 1.00 0.00 H new ATOM 0 HA GLU A 110 4.105 12.966 6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.945 11.116 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.332 12.753 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.583 13.669 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.273 12.058 3.936 1.00 0.00 H new ATOM 1821 N ILE A 111 1.443 11.209 6.992 1.00 0.00 N ATOM 1822 CA ILE A 111 0.219 11.289 7.792 1.00 0.00 C ATOM 1823 C ILE A 111 0.524 11.408 9.289 1.00 0.00 C ATOM 1824 O ILE A 111 0.036 12.316 9.962 1.00 0.00 O ATOM 1825 CB ILE A 111 -0.690 10.060 7.569 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -1.142 9.980 6.109 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -1.896 10.116 8.500 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -2.007 8.774 5.812 1.00 0.00 C ATOM 0 H ILE A 111 1.651 10.282 6.621 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.300 12.188 7.459 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.117 9.162 7.798 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.695 10.885 5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.263 9.954 5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.527 9.243 8.331 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.556 10.123 9.536 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.468 11.022 8.300 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.291 8.780 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.450 7.863 6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.904 8.808 6.430 1.00 0.00 H new ATOM 1840 N GLU A 112 1.349 10.502 9.797 1.00 0.00 N ATOM 1841 CA GLU A 112 1.589 10.387 11.225 1.00 0.00 C ATOM 1842 C GLU A 112 2.359 11.572 11.800 1.00 0.00 C ATOM 1843 O GLU A 112 2.122 11.975 12.939 1.00 0.00 O ATOM 1844 CB GLU A 112 2.344 9.094 11.508 1.00 0.00 C ATOM 1845 CG GLU A 112 1.473 7.851 11.458 1.00 0.00 C ATOM 1846 CD GLU A 112 0.502 7.780 12.615 1.00 0.00 C ATOM 1847 OE1 GLU A 112 -0.615 8.323 12.501 1.00 0.00 O ATOM 1848 OE2 GLU A 112 0.862 7.187 13.654 1.00 0.00 O ATOM 0 H GLU A 112 1.868 9.830 9.232 1.00 0.00 H new ATOM 0 HA GLU A 112 0.616 10.378 11.715 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.151 8.990 10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.807 9.163 12.493 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.918 7.837 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.108 6.965 11.465 1.00 0.00 H new