USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 863 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 9 GLN : amide:sc= 1.7 K(o=1.7,f=-8.3!) USER MOD Set 1.2: A 22 THR OG1 : rot 140:sc= -0.0169 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.366 USER MOD Set 2.2: A 18 THR OG1 : rot -60:sc= 0.391 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0965 K(o=-0.096,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.797 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0635 USER MOD Single : A 24 GLN : amide:sc= 0.674 K(o=0.67,f=-1.4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 1.66 (180deg=1.66) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0352) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0.947 (180deg=0.905) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0406 K(o=-0.041,f=-1.4!) USER MOD Single : A 45 MET CE :methyl -132:sc=-0.00391 (180deg=-0.682) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.515 K(o=-0.52,f=-1.3) USER MOD Single : A 65 SER OG : rot 113:sc= 1.19 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 1.09 (180deg=0.909) USER MOD Single : A 82 ASN : amide:sc= 0.444 K(o=0.44,f=-5.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00743 K(o=-0.0074,f=-1.2) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0378 K(o=-0.038,f=-1.4!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 61:sc= 0.713 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.55 K(o=0.55,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.341 9.267 1.088 1.00 0.00 N ATOM 61 CA LYS A 5 12.297 9.021 2.079 1.00 0.00 C ATOM 62 C LYS A 5 10.935 9.295 1.426 1.00 0.00 C ATOM 63 O LYS A 5 10.746 10.311 0.746 1.00 0.00 O ATOM 64 CB LYS A 5 12.496 9.894 3.319 1.00 0.00 C ATOM 65 CG LYS A 5 11.496 9.635 4.437 1.00 0.00 C ATOM 66 CD LYS A 5 11.821 10.460 5.674 1.00 0.00 C ATOM 67 CE LYS A 5 11.364 11.902 5.515 1.00 0.00 C ATOM 68 NZ LYS A 5 11.592 12.698 6.751 1.00 0.00 N ATOM 0 HA LYS A 5 12.345 7.984 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.503 9.733 3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.431 10.942 3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.491 9.875 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.500 8.575 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.338 10.018 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.895 10.435 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.898 12.362 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.304 11.921 5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.267 13.674 6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.062 12.275 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.607 12.702 6.979 1.00 0.00 H new ATOM 82 N VAL A 6 10.015 8.368 1.626 1.00 0.00 N ATOM 83 CA VAL A 6 8.664 8.395 1.052 1.00 0.00 C ATOM 84 C VAL A 6 7.659 8.242 2.195 1.00 0.00 C ATOM 85 O VAL A 6 7.919 7.510 3.154 1.00 0.00 O ATOM 86 CB VAL A 6 8.443 7.280 0.011 1.00 0.00 C ATOM 87 CG1 VAL A 6 8.803 5.924 0.598 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.002 7.284 -0.476 1.00 0.00 C ATOM 0 H VAL A 6 10.184 7.548 2.208 1.00 0.00 H new ATOM 0 HA VAL A 6 8.529 9.343 0.531 1.00 0.00 H new ATOM 0 HB VAL A 6 9.095 7.470 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.641 5.149 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.851 5.924 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.176 5.726 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.864 6.490 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.332 7.118 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.776 8.246 -0.935 1.00 0.00 H new ATOM 98 N GLU A 7 6.520 8.939 2.106 1.00 0.00 N ATOM 99 CA GLU A 7 5.399 8.719 3.023 1.00 0.00 C ATOM 100 C GLU A 7 4.304 7.952 2.266 1.00 0.00 C ATOM 101 O GLU A 7 3.970 8.281 1.117 1.00 0.00 O ATOM 102 CB GLU A 7 4.860 10.044 3.568 1.00 0.00 C ATOM 103 CG GLU A 7 5.823 10.784 4.486 1.00 0.00 C ATOM 104 CD GLU A 7 5.156 11.959 5.144 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.662 12.808 4.442 1.00 0.00 O ATOM 106 OE2 GLU A 7 5.040 11.953 6.348 1.00 0.00 O ATOM 0 H GLU A 7 6.352 9.661 1.406 1.00 0.00 H new ATOM 0 HA GLU A 7 5.736 8.138 3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.607 10.692 2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.935 9.850 4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.198 10.102 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.685 11.126 3.913 1.00 0.00 H new ATOM 113 N VAL A 8 3.788 6.904 2.933 1.00 0.00 N ATOM 114 CA VAL A 8 2.753 6.004 2.417 1.00 0.00 C ATOM 115 C VAL A 8 1.521 6.136 3.319 1.00 0.00 C ATOM 116 O VAL A 8 1.598 5.901 4.529 1.00 0.00 O ATOM 117 CB VAL A 8 3.218 4.536 2.376 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.086 3.632 1.908 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.428 4.386 1.467 1.00 0.00 C ATOM 0 H VAL A 8 4.092 6.657 3.875 1.00 0.00 H new ATOM 0 HA VAL A 8 2.523 6.288 1.390 1.00 0.00 H new ATOM 0 HB VAL A 8 3.505 4.237 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.432 2.599 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.244 3.718 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.771 3.932 0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.743 3.343 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.166 4.703 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.243 5.005 1.841 1.00 0.00 H new ATOM 129 N GLN A 9 0.395 6.531 2.725 1.00 0.00 N ATOM 130 CA GLN A 9 -0.864 6.737 3.445 1.00 0.00 C ATOM 131 C GLN A 9 -1.805 5.588 3.088 1.00 0.00 C ATOM 132 O GLN A 9 -2.120 5.388 1.919 1.00 0.00 O ATOM 133 CB GLN A 9 -1.500 8.082 3.085 1.00 0.00 C ATOM 134 CG GLN A 9 -0.609 9.283 3.351 1.00 0.00 C ATOM 135 CD GLN A 9 -1.337 10.598 3.155 1.00 0.00 C ATOM 136 OE1 GLN A 9 -1.606 11.013 2.023 1.00 0.00 O ATOM 137 NE2 GLN A 9 -1.658 11.267 4.257 1.00 0.00 N ATOM 0 H GLN A 9 0.329 6.719 1.725 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.672 6.753 4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.772 8.072 2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.424 8.197 3.651 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.228 9.230 4.371 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.254 9.246 2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.417 10.888 5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.146 12.160 4.188 1.00 0.00 H new ATOM 146 N VAL A 10 -2.212 4.822 4.107 1.00 0.00 N ATOM 147 CA VAL A 10 -3.084 3.647 3.961 1.00 0.00 C ATOM 148 C VAL A 10 -4.452 3.938 4.587 1.00 0.00 C ATOM 149 O VAL A 10 -4.545 4.210 5.788 1.00 0.00 O ATOM 150 CB VAL A 10 -2.477 2.391 4.615 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.420 1.206 4.467 1.00 0.00 C ATOM 152 CG2 VAL A 10 -1.123 2.073 4.002 1.00 0.00 C ATOM 0 H VAL A 10 -1.941 5.003 5.073 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.192 3.448 2.895 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.336 2.589 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.976 0.327 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.369 1.434 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.591 1.007 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.709 1.183 4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.241 1.894 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.447 2.914 4.157 1.00 0.00 H new ATOM 162 N LYS A 11 -5.500 3.897 3.758 1.00 0.00 N ATOM 163 CA LYS A 11 -6.873 4.216 4.158 1.00 0.00 C ATOM 164 C LYS A 11 -7.754 3.010 3.817 1.00 0.00 C ATOM 165 O LYS A 11 -7.932 2.669 2.655 1.00 0.00 O ATOM 166 CB LYS A 11 -7.380 5.478 3.457 1.00 0.00 C ATOM 167 CG LYS A 11 -8.752 5.948 3.923 1.00 0.00 C ATOM 168 CD LYS A 11 -9.126 7.280 3.290 1.00 0.00 C ATOM 169 CE LYS A 11 -10.471 7.777 3.798 1.00 0.00 C ATOM 170 NZ LYS A 11 -10.836 9.095 3.210 1.00 0.00 N ATOM 0 H LYS A 11 -5.416 3.637 2.775 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.907 4.418 5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.661 6.281 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.418 5.292 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.501 5.199 3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.756 6.045 5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.356 8.019 3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.162 7.172 2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.243 7.046 3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.440 7.861 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.759 9.398 3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.113 9.799 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.891 9.010 2.175 1.00 0.00 H new ATOM 184 N ILE A 12 -8.293 2.366 4.848 1.00 0.00 N ATOM 185 CA ILE A 12 -9.044 1.107 4.714 1.00 0.00 C ATOM 186 C ILE A 12 -10.430 1.241 5.369 1.00 0.00 C ATOM 187 O ILE A 12 -10.556 1.768 6.474 1.00 0.00 O ATOM 188 CB ILE A 12 -8.291 -0.077 5.349 1.00 0.00 C ATOM 189 CG1 ILE A 12 -9.094 -1.369 5.186 1.00 0.00 C ATOM 190 CG2 ILE A 12 -8.010 0.199 6.819 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.323 -2.617 5.551 1.00 0.00 C ATOM 0 H ILE A 12 -8.224 2.700 5.809 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.157 0.908 3.648 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.338 -0.198 4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.988 -1.311 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.429 -1.450 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.477 -0.647 7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.399 1.097 6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.952 0.345 7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.958 -3.491 5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.443 -2.701 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.011 -2.560 6.594 1.00 0.00 H new ATOM 203 N THR A 13 -11.479 0.790 4.666 1.00 0.00 N ATOM 204 CA THR A 13 -12.840 0.757 5.211 1.00 0.00 C ATOM 205 C THR A 13 -13.208 -0.690 5.582 1.00 0.00 C ATOM 206 O THR A 13 -13.065 -1.606 4.763 1.00 0.00 O ATOM 207 CB THR A 13 -13.875 1.313 4.215 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.574 2.685 3.926 1.00 0.00 O ATOM 209 CG2 THR A 13 -15.278 1.215 4.792 1.00 0.00 C ATOM 0 H THR A 13 -11.407 0.441 3.710 1.00 0.00 H new ATOM 0 HA THR A 13 -12.859 1.392 6.097 1.00 0.00 H new ATOM 0 HB THR A 13 -13.829 0.723 3.299 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.232 3.038 3.291 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.995 1.613 4.074 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.514 0.171 5.000 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.332 1.791 5.716 1.00 0.00 H new ATOM 217 N CYS A 14 -13.647 -0.875 6.837 1.00 0.00 N ATOM 218 CA CYS A 14 -13.959 -2.191 7.423 1.00 0.00 C ATOM 219 C CYS A 14 -15.274 -2.093 8.210 1.00 0.00 C ATOM 220 O CYS A 14 -15.379 -1.293 9.154 1.00 0.00 O ATOM 221 CB CYS A 14 -12.799 -2.638 8.341 1.00 0.00 C ATOM 222 SG CYS A 14 -12.830 -4.370 8.948 1.00 0.00 S ATOM 0 H CYS A 14 -13.798 -0.102 7.485 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.077 -2.934 6.634 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.864 -2.485 7.802 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.779 -1.977 9.207 1.00 0.00 H new ATOM 227 N ASN A 15 -16.292 -2.859 7.744 1.00 0.00 N ATOM 228 CA ASN A 15 -17.672 -2.898 8.309 1.00 0.00 C ATOM 229 C ASN A 15 -18.398 -1.536 8.181 1.00 0.00 C ATOM 230 O ASN A 15 -19.314 -1.243 8.952 1.00 0.00 O ATOM 231 CB ASN A 15 -17.660 -3.340 9.762 1.00 0.00 C ATOM 232 CG ASN A 15 -18.953 -3.956 10.219 1.00 0.00 C ATOM 233 OD1 ASN A 15 -19.682 -4.570 9.432 1.00 0.00 O ATOM 234 ND2 ASN A 15 -19.279 -3.724 11.464 1.00 0.00 N ATOM 0 H ASN A 15 -16.177 -3.483 6.946 1.00 0.00 H new ATOM 0 HA ASN A 15 -18.225 -3.630 7.719 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.854 -4.060 9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.436 -2.479 10.392 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -20.173 -4.055 11.827 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -18.640 -3.212 12.072 1.00 0.00 H new ATOM 241 N GLY A 16 -17.992 -0.715 7.189 1.00 0.00 N ATOM 242 CA GLY A 16 -18.601 0.600 6.942 1.00 0.00 C ATOM 243 C GLY A 16 -17.906 1.734 7.675 1.00 0.00 C ATOM 244 O GLY A 16 -18.322 2.891 7.554 1.00 0.00 O ATOM 0 H GLY A 16 -17.237 -0.947 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.584 0.805 5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.648 0.570 7.244 1.00 0.00 H new ATOM 248 N LYS A 17 -16.850 1.407 8.445 1.00 0.00 N ATOM 249 CA LYS A 17 -16.062 2.395 9.207 1.00 0.00 C ATOM 250 C LYS A 17 -14.651 2.513 8.620 1.00 0.00 C ATOM 251 O LYS A 17 -13.998 1.502 8.374 1.00 0.00 O ATOM 252 CB LYS A 17 -15.990 2.013 10.686 1.00 0.00 C ATOM 253 CG LYS A 17 -15.296 3.043 11.568 1.00 0.00 C ATOM 254 CD LYS A 17 -15.385 2.661 13.039 1.00 0.00 C ATOM 255 CE LYS A 17 -14.622 3.645 13.914 1.00 0.00 C ATOM 256 NZ LYS A 17 -14.751 3.319 15.360 1.00 0.00 N ATOM 0 H LYS A 17 -16.519 0.449 8.556 1.00 0.00 H new ATOM 0 HA LYS A 17 -16.560 3.362 9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.002 1.857 11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -15.466 1.062 10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.250 3.130 11.275 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -15.752 4.021 11.416 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.430 2.632 13.347 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.983 1.658 13.181 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.569 3.639 13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.994 4.654 13.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.217 4.013 15.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.754 3.350 15.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.373 2.366 15.536 1.00 0.00 H new ATOM 270 N THR A 18 -14.183 3.759 8.427 1.00 0.00 N ATOM 271 CA THR A 18 -12.935 4.059 7.708 1.00 0.00 C ATOM 272 C THR A 18 -11.790 4.312 8.718 1.00 0.00 C ATOM 273 O THR A 18 -11.922 5.133 9.632 1.00 0.00 O ATOM 274 CB THR A 18 -13.089 5.283 6.787 1.00 0.00 C ATOM 275 OG1 THR A 18 -14.080 5.011 5.788 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.768 5.611 6.110 1.00 0.00 C ATOM 0 H THR A 18 -14.665 4.591 8.768 1.00 0.00 H new ATOM 0 HA THR A 18 -12.697 3.196 7.087 1.00 0.00 H new ATOM 0 HB THR A 18 -13.397 6.137 7.391 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.801 4.240 5.251 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.896 6.479 5.463 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.016 5.831 6.867 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.443 4.759 5.513 1.00 0.00 H new ATOM 284 N TYR A 19 -10.675 3.590 8.537 1.00 0.00 N ATOM 285 CA TYR A 19 -9.460 3.706 9.370 1.00 0.00 C ATOM 286 C TYR A 19 -8.273 4.110 8.474 1.00 0.00 C ATOM 287 O TYR A 19 -7.979 3.408 7.506 1.00 0.00 O ATOM 288 CB TYR A 19 -9.147 2.337 10.042 1.00 0.00 C ATOM 289 CG TYR A 19 -10.300 1.718 10.841 1.00 0.00 C ATOM 290 CD1 TYR A 19 -11.295 0.960 10.211 1.00 0.00 C ATOM 291 CD2 TYR A 19 -10.393 1.883 12.227 1.00 0.00 C ATOM 292 CE1 TYR A 19 -12.331 0.392 10.929 1.00 0.00 C ATOM 293 CE2 TYR A 19 -11.429 1.315 12.949 1.00 0.00 C ATOM 294 CZ TYR A 19 -12.397 0.572 12.296 1.00 0.00 C ATOM 295 OH TYR A 19 -13.436 0.007 13.015 1.00 0.00 O ATOM 0 H TYR A 19 -10.586 2.895 7.795 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.621 4.459 10.142 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.844 1.632 9.268 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.294 2.465 10.708 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.252 0.816 9.141 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.643 2.464 12.743 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -13.086 -0.191 10.422 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.482 1.451 14.019 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.335 0.228 13.964 1.00 0.00 H new ATOM 305 N GLU A 20 -7.586 5.219 8.788 1.00 0.00 N ATOM 306 CA GLU A 20 -6.464 5.721 7.956 1.00 0.00 C ATOM 307 C GLU A 20 -5.217 5.976 8.827 1.00 0.00 C ATOM 308 O GLU A 20 -5.348 6.364 9.987 1.00 0.00 O ATOM 309 CB GLU A 20 -6.864 7.003 7.221 1.00 0.00 C ATOM 310 CG GLU A 20 -7.263 8.153 8.134 1.00 0.00 C ATOM 311 CD GLU A 20 -7.690 9.357 7.341 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.741 9.264 6.137 1.00 0.00 O ATOM 313 OE2 GLU A 20 -8.073 10.333 7.941 1.00 0.00 O ATOM 0 H GLU A 20 -7.782 5.790 9.610 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.224 4.958 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.031 7.324 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.696 6.780 6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.077 7.837 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.424 8.417 8.777 1.00 0.00 H new ATOM 320 N ARG A 21 -4.019 5.718 8.267 1.00 0.00 N ATOM 321 CA ARG A 21 -2.733 5.957 8.955 1.00 0.00 C ATOM 322 C ARG A 21 -1.633 6.246 7.929 1.00 0.00 C ATOM 323 O ARG A 21 -1.558 5.578 6.896 1.00 0.00 O ATOM 324 CB ARG A 21 -2.345 4.817 9.886 1.00 0.00 C ATOM 325 CG ARG A 21 -1.130 5.091 10.760 1.00 0.00 C ATOM 326 CD ARG A 21 -0.842 4.029 11.758 1.00 0.00 C ATOM 327 NE ARG A 21 0.412 4.199 12.473 1.00 0.00 N ATOM 328 CZ ARG A 21 0.742 3.547 13.605 1.00 0.00 C ATOM 329 NH1 ARG A 21 -0.099 2.713 14.175 1.00 0.00 N ATOM 330 NH2 ARG A 21 1.925 3.787 14.142 1.00 0.00 N ATOM 0 H ARG A 21 -3.914 5.338 7.326 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.858 6.834 9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.194 4.588 10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.151 3.928 9.287 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.257 5.217 10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.280 6.035 11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.657 3.997 12.481 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.828 3.065 11.250 1.00 0.00 H new ATOM 0 HE ARG A 21 1.090 4.858 12.091 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.017 2.552 13.760 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.166 2.227 15.032 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.561 4.451 13.700 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.203 3.308 14.999 1.00 0.00 H new ATOM 344 N THR A 22 -0.801 7.247 8.226 1.00 0.00 N ATOM 345 CA THR A 22 0.341 7.623 7.393 1.00 0.00 C ATOM 346 C THR A 22 1.642 7.045 7.988 1.00 0.00 C ATOM 347 O THR A 22 1.887 7.155 9.196 1.00 0.00 O ATOM 348 CB THR A 22 0.468 9.152 7.260 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.703 9.678 6.623 1.00 0.00 O ATOM 350 CG2 THR A 22 1.695 9.516 6.439 1.00 0.00 C ATOM 0 H THR A 22 -0.903 7.825 9.060 1.00 0.00 H new ATOM 0 HA THR A 22 0.175 7.209 6.398 1.00 0.00 H new ATOM 0 HB THR A 22 0.571 9.581 8.257 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.962 10.518 7.056 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.768 10.600 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.588 9.128 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.609 9.081 5.443 1.00 0.00 H new ATOM 358 N TYR A 23 2.447 6.405 7.126 1.00 0.00 N ATOM 359 CA TYR A 23 3.689 5.719 7.512 1.00 0.00 C ATOM 360 C TYR A 23 4.870 6.388 6.787 1.00 0.00 C ATOM 361 O TYR A 23 4.749 6.755 5.619 1.00 0.00 O ATOM 362 CB TYR A 23 3.614 4.216 7.128 1.00 0.00 C ATOM 363 CG TYR A 23 2.447 3.448 7.774 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.166 3.464 7.203 1.00 0.00 C ATOM 365 CD2 TYR A 23 2.622 2.704 8.942 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.117 2.761 7.768 1.00 0.00 C ATOM 367 CE2 TYR A 23 1.568 2.005 9.512 1.00 0.00 C ATOM 368 CZ TYR A 23 0.317 2.033 8.918 1.00 0.00 C ATOM 369 OH TYR A 23 -0.736 1.327 9.479 1.00 0.00 O ATOM 0 H TYR A 23 2.250 6.349 6.127 1.00 0.00 H new ATOM 0 HA TYR A 23 3.827 5.792 8.591 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.530 4.135 6.044 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.550 3.735 7.412 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.995 4.037 6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.595 2.672 9.410 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.859 2.784 7.306 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.723 1.439 10.419 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.427 0.866 10.287 1.00 0.00 H new ATOM 379 N GLN A 24 6.004 6.535 7.482 1.00 0.00 N ATOM 380 CA GLN A 24 7.257 7.031 6.879 1.00 0.00 C ATOM 381 C GLN A 24 8.179 5.835 6.597 1.00 0.00 C ATOM 382 O GLN A 24 8.535 5.084 7.514 1.00 0.00 O ATOM 383 CB GLN A 24 7.956 8.034 7.800 1.00 0.00 C ATOM 384 CG GLN A 24 7.253 9.376 7.910 1.00 0.00 C ATOM 385 CD GLN A 24 6.087 9.340 8.879 1.00 0.00 C ATOM 386 OE1 GLN A 24 6.112 8.615 9.877 1.00 0.00 O ATOM 387 NE2 GLN A 24 5.053 10.123 8.589 1.00 0.00 N ATOM 0 H GLN A 24 6.084 6.316 8.475 1.00 0.00 H new ATOM 0 HA GLN A 24 7.023 7.548 5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.040 7.598 8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.971 8.197 7.437 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.968 10.132 8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.895 9.677 6.926 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.074 10.707 7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.238 10.140 9.203 1.00 0.00 H new ATOM 396 N LEU A 25 8.535 5.652 5.318 1.00 0.00 N ATOM 397 CA LEU A 25 9.452 4.588 4.857 1.00 0.00 C ATOM 398 C LEU A 25 10.735 5.212 4.295 1.00 0.00 C ATOM 399 O LEU A 25 10.688 6.260 3.647 1.00 0.00 O ATOM 400 CB LEU A 25 8.774 3.707 3.802 1.00 0.00 C ATOM 401 CG LEU A 25 7.510 2.976 4.274 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.945 2.127 3.144 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.842 2.114 5.482 1.00 0.00 C ATOM 0 H LEU A 25 8.192 6.244 4.561 1.00 0.00 H new ATOM 0 HA LEU A 25 9.711 3.957 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.516 4.329 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.494 2.966 3.454 1.00 0.00 H new ATOM 0 HG LEU A 25 6.754 3.707 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.048 1.612 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.693 2.767 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.688 1.392 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.944 1.595 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.603 1.383 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.218 2.745 6.287 1.00 0.00 H new ATOM 415 N TYR A 26 11.874 4.553 4.550 1.00 0.00 N ATOM 416 CA TYR A 26 13.169 4.881 3.926 1.00 0.00 C ATOM 417 C TYR A 26 13.936 3.577 3.666 1.00 0.00 C ATOM 418 O TYR A 26 14.098 2.773 4.588 1.00 0.00 O ATOM 419 CB TYR A 26 13.989 5.822 4.811 1.00 0.00 C ATOM 420 CG TYR A 26 15.345 6.174 4.241 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.474 7.139 3.252 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.493 5.541 4.694 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.710 7.465 2.727 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.734 5.858 4.177 1.00 0.00 C ATOM 425 CZ TYR A 26 17.839 6.821 3.193 1.00 0.00 C ATOM 426 OH TYR A 26 19.072 7.142 2.676 1.00 0.00 O ATOM 0 H TYR A 26 11.926 3.769 5.201 1.00 0.00 H new ATOM 0 HA TYR A 26 12.991 5.399 2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.423 6.740 4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.126 5.359 5.788 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.592 7.644 2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.415 4.788 5.464 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.792 8.218 1.957 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.618 5.355 4.541 1.00 0.00 H new ATOM 0 HH TYR A 26 19.761 6.599 3.112 1.00 0.00 H new ATOM 436 N ALA A 27 14.409 3.375 2.423 1.00 0.00 N ATOM 437 CA ALA A 27 15.126 2.149 2.036 1.00 0.00 C ATOM 438 C ALA A 27 16.275 2.460 1.082 1.00 0.00 C ATOM 439 O ALA A 27 16.250 3.484 0.386 1.00 0.00 O ATOM 440 CB ALA A 27 14.158 1.156 1.382 1.00 0.00 C ATOM 0 H ALA A 27 14.306 4.051 1.666 1.00 0.00 H new ATOM 0 HA ALA A 27 15.544 1.704 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.699 0.253 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.368 0.900 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.718 1.608 0.493 1.00 0.00 H new ATOM 446 N VAL A 28 17.260 1.544 1.055 1.00 0.00 N ATOM 447 CA VAL A 28 18.447 1.628 0.189 1.00 0.00 C ATOM 448 C VAL A 28 18.190 0.869 -1.129 1.00 0.00 C ATOM 449 O VAL A 28 18.444 1.380 -2.224 1.00 0.00 O ATOM 450 CB VAL A 28 19.700 1.054 0.877 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.867 1.004 -0.098 1.00 0.00 C ATOM 452 CG2 VAL A 28 20.064 1.884 2.099 1.00 0.00 C ATOM 0 H VAL A 28 17.252 0.712 1.644 1.00 0.00 H new ATOM 0 HA VAL A 28 18.630 2.683 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 28 19.479 0.038 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.744 0.596 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.606 0.370 -0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 28 21.088 2.011 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.951 1.464 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.267 2.911 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.235 1.872 2.807 1.00 0.00 H new ATOM 462 N ARG A 29 17.656 -0.357 -0.992 1.00 0.00 N ATOM 463 CA ARG A 29 17.370 -1.257 -2.127 1.00 0.00 C ATOM 464 C ARG A 29 15.857 -1.321 -2.385 1.00 0.00 C ATOM 465 O ARG A 29 15.049 -1.143 -1.464 1.00 0.00 O ATOM 466 CB ARG A 29 17.967 -2.644 -1.937 1.00 0.00 C ATOM 467 CG ARG A 29 19.485 -2.699 -1.987 1.00 0.00 C ATOM 468 CD ARG A 29 20.067 -3.978 -1.505 1.00 0.00 C ATOM 469 NE ARG A 29 19.858 -4.242 -0.092 1.00 0.00 N ATOM 470 CZ ARG A 29 20.146 -5.407 0.521 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.619 -6.429 -0.158 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.917 -5.504 1.819 1.00 0.00 N ATOM 0 H ARG A 29 17.409 -0.755 -0.086 1.00 0.00 H new ATOM 0 HA ARG A 29 17.855 -0.839 -3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.635 -3.038 -0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.568 -3.304 -2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.809 -2.530 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.886 -1.882 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.638 -4.797 -2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 29 21.138 -3.973 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 29 19.465 -3.492 0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.773 -6.346 -1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.832 -7.304 0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.532 -4.709 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.125 -6.373 2.310 1.00 0.00 H new ATOM 486 N ASP A 30 15.488 -1.590 -3.644 1.00 0.00 N ATOM 487 CA ASP A 30 14.080 -1.694 -4.075 1.00 0.00 C ATOM 488 C ASP A 30 13.359 -2.802 -3.267 1.00 0.00 C ATOM 489 O ASP A 30 12.211 -2.632 -2.841 1.00 0.00 O ATOM 490 CB ASP A 30 13.991 -1.984 -5.576 1.00 0.00 C ATOM 491 CG ASP A 30 14.396 -0.818 -6.467 1.00 0.00 C ATOM 492 OD1 ASP A 30 14.487 0.280 -5.970 1.00 0.00 O ATOM 493 OD2 ASP A 30 14.762 -1.055 -7.592 1.00 0.00 O ATOM 0 H ASP A 30 16.157 -1.743 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 30 13.588 -0.740 -3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.626 -2.839 -5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.968 -2.272 -5.818 1.00 0.00 H new ATOM 498 N GLU A 31 14.083 -3.920 -3.043 1.00 0.00 N ATOM 499 CA GLU A 31 13.583 -5.109 -2.313 1.00 0.00 C ATOM 500 C GLU A 31 13.298 -4.782 -0.832 1.00 0.00 C ATOM 501 O GLU A 31 12.362 -5.313 -0.227 1.00 0.00 O ATOM 502 CB GLU A 31 14.587 -6.259 -2.410 1.00 0.00 C ATOM 503 CG GLU A 31 14.127 -7.553 -1.752 1.00 0.00 C ATOM 504 CD GLU A 31 12.942 -8.139 -2.468 1.00 0.00 C ATOM 505 OE1 GLU A 31 12.624 -7.669 -3.533 1.00 0.00 O ATOM 506 OE2 GLU A 31 12.424 -9.129 -2.006 1.00 0.00 O ATOM 0 H GLU A 31 15.044 -4.025 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 31 12.646 -5.413 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.796 -6.455 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.525 -5.946 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.945 -8.273 -1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.867 -7.362 -0.711 1.00 0.00 H new ATOM 513 N GLU A 32 14.130 -3.892 -0.272 1.00 0.00 N ATOM 514 CA GLU A 32 13.998 -3.411 1.108 1.00 0.00 C ATOM 515 C GLU A 32 12.699 -2.611 1.310 1.00 0.00 C ATOM 516 O GLU A 32 12.030 -2.780 2.322 1.00 0.00 O ATOM 517 CB GLU A 32 15.208 -2.553 1.489 1.00 0.00 C ATOM 518 CG GLU A 32 16.505 -3.332 1.647 1.00 0.00 C ATOM 519 CD GLU A 32 17.676 -2.410 1.844 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.493 -1.220 1.746 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.727 -2.884 2.204 1.00 0.00 O ATOM 0 H GLU A 32 14.920 -3.483 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 32 13.956 -4.284 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.349 -1.787 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.992 -2.037 2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.424 -4.008 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.670 -3.950 0.764 1.00 0.00 H new ATOM 528 N LEU A 33 12.362 -1.724 0.359 1.00 0.00 N ATOM 529 CA LEU A 33 11.112 -0.932 0.411 1.00 0.00 C ATOM 530 C LEU A 33 9.874 -1.859 0.276 1.00 0.00 C ATOM 531 O LEU A 33 8.870 -1.645 0.954 1.00 0.00 O ATOM 532 CB LEU A 33 11.106 0.183 -0.698 1.00 0.00 C ATOM 533 CG LEU A 33 10.243 1.462 -0.404 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.738 1.145 -0.213 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.798 2.232 0.814 1.00 0.00 C ATOM 0 H LEU A 33 12.938 -1.534 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 33 11.062 -0.436 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.135 0.498 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.750 -0.262 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 33 10.319 2.096 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.194 2.068 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.346 0.682 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.614 0.462 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.184 3.114 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.779 1.587 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.824 2.540 0.613 1.00 0.00 H new ATOM 547 N LYS A 34 9.993 -2.885 -0.594 1.00 0.00 N ATOM 548 CA LYS A 34 8.921 -3.872 -0.871 1.00 0.00 C ATOM 549 C LYS A 34 8.421 -4.590 0.406 1.00 0.00 C ATOM 550 O LYS A 34 7.220 -4.604 0.679 1.00 0.00 O ATOM 551 CB LYS A 34 9.409 -4.907 -1.886 1.00 0.00 C ATOM 552 CG LYS A 34 9.437 -4.411 -3.325 1.00 0.00 C ATOM 553 CD LYS A 34 10.057 -5.444 -4.255 1.00 0.00 C ATOM 554 CE LYS A 34 9.335 -6.779 -4.159 1.00 0.00 C ATOM 555 NZ LYS A 34 10.060 -7.858 -4.884 1.00 0.00 N ATOM 0 H LYS A 34 10.844 -3.055 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 34 8.078 -3.315 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.412 -5.228 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.766 -5.785 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.423 -4.185 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.004 -3.482 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.019 -5.081 -5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.109 -5.578 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.225 -7.057 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.330 -6.678 -4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.517 -8.743 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.173 -7.590 -5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.997 -7.996 -4.454 1.00 0.00 H new ATOM 569 N GLU A 35 9.374 -5.162 1.167 1.00 0.00 N ATOM 570 CA GLU A 35 9.115 -5.859 2.454 1.00 0.00 C ATOM 571 C GLU A 35 8.605 -4.891 3.550 1.00 0.00 C ATOM 572 O GLU A 35 7.801 -5.268 4.414 1.00 0.00 O ATOM 573 CB GLU A 35 10.381 -6.569 2.936 1.00 0.00 C ATOM 574 CG GLU A 35 11.558 -5.642 3.205 1.00 0.00 C ATOM 575 CD GLU A 35 12.757 -6.408 3.692 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.676 -7.610 3.777 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.788 -5.805 3.873 1.00 0.00 O ATOM 0 H GLU A 35 10.360 -5.156 0.907 1.00 0.00 H new ATOM 0 HA GLU A 35 8.331 -6.593 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.150 -7.117 3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.677 -7.305 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.814 -5.102 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.274 -4.896 3.948 1.00 0.00 H new ATOM 584 N LYS A 36 9.058 -3.631 3.469 1.00 0.00 N ATOM 585 CA LYS A 36 8.619 -2.547 4.361 1.00 0.00 C ATOM 586 C LYS A 36 7.145 -2.203 4.117 1.00 0.00 C ATOM 587 O LYS A 36 6.413 -1.929 5.061 1.00 0.00 O ATOM 588 CB LYS A 36 9.490 -1.304 4.170 1.00 0.00 C ATOM 589 CG LYS A 36 10.881 -1.411 4.781 1.00 0.00 C ATOM 590 CD LYS A 36 11.741 -0.212 4.409 1.00 0.00 C ATOM 591 CE LYS A 36 13.173 -0.387 4.894 1.00 0.00 C ATOM 592 NZ LYS A 36 13.259 -0.406 6.379 1.00 0.00 N ATOM 0 H LYS A 36 9.745 -3.333 2.777 1.00 0.00 H new ATOM 0 HA LYS A 36 8.727 -2.893 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.589 -1.105 3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.979 -0.446 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.800 -1.481 5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.362 -2.327 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.735 -0.079 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.315 0.692 4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.580 -1.316 4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.789 0.424 4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.257 -0.442 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.817 0.454 6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.762 -1.243 6.745 1.00 0.00 H new ATOM 606 N LEU A 37 6.736 -2.196 2.833 1.00 0.00 N ATOM 607 CA LEU A 37 5.324 -2.043 2.430 1.00 0.00 C ATOM 608 C LEU A 37 4.473 -3.230 2.918 1.00 0.00 C ATOM 609 O LEU A 37 3.334 -3.030 3.338 1.00 0.00 O ATOM 610 CB LEU A 37 5.220 -1.905 0.906 1.00 0.00 C ATOM 611 CG LEU A 37 5.692 -0.559 0.338 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.820 -0.648 -1.176 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.709 0.532 0.734 1.00 0.00 C ATOM 0 H LEU A 37 7.376 -2.296 2.045 1.00 0.00 H new ATOM 0 HA LEU A 37 4.936 -1.137 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.804 -2.701 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.182 -2.061 0.613 1.00 0.00 H new ATOM 0 HG LEU A 37 6.671 -0.314 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.155 0.311 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.545 -1.420 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.852 -0.899 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.044 1.488 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.723 0.296 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.655 0.596 1.821 1.00 0.00 H new ATOM 625 N LYS A 38 5.039 -4.461 2.860 1.00 0.00 N ATOM 626 CA LYS A 38 4.396 -5.675 3.416 1.00 0.00 C ATOM 627 C LYS A 38 4.145 -5.515 4.920 1.00 0.00 C ATOM 628 O LYS A 38 3.081 -5.879 5.408 1.00 0.00 O ATOM 629 CB LYS A 38 5.257 -6.914 3.157 1.00 0.00 C ATOM 630 CG LYS A 38 5.361 -7.313 1.691 1.00 0.00 C ATOM 631 CD LYS A 38 6.253 -8.533 1.512 1.00 0.00 C ATOM 632 CE LYS A 38 6.449 -8.863 0.039 1.00 0.00 C ATOM 633 NZ LYS A 38 7.381 -10.008 -0.154 1.00 0.00 N ATOM 0 H LYS A 38 5.947 -4.638 2.430 1.00 0.00 H new ATOM 0 HA LYS A 38 3.438 -5.806 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.260 -6.732 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.846 -7.751 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.367 -7.526 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.760 -6.480 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.221 -8.350 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.810 -9.388 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.485 -9.100 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.837 -7.987 -0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.581 -10.126 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.269 -9.822 0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.945 -10.877 0.216 1.00 0.00 H new ATOM 647 N LYS A 39 5.139 -4.950 5.633 1.00 0.00 N ATOM 648 CA LYS A 39 5.023 -4.666 7.074 1.00 0.00 C ATOM 649 C LYS A 39 3.936 -3.607 7.354 1.00 0.00 C ATOM 650 O LYS A 39 3.144 -3.777 8.266 1.00 0.00 O ATOM 651 CB LYS A 39 6.368 -4.200 7.635 1.00 0.00 C ATOM 652 CG LYS A 39 7.424 -5.293 7.728 1.00 0.00 C ATOM 653 CD LYS A 39 8.733 -4.752 8.282 1.00 0.00 C ATOM 654 CE LYS A 39 9.799 -5.836 8.342 1.00 0.00 C ATOM 655 NZ LYS A 39 11.087 -5.320 8.879 1.00 0.00 N ATOM 0 H LYS A 39 6.036 -4.680 5.230 1.00 0.00 H new ATOM 0 HA LYS A 39 4.730 -5.590 7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.750 -3.395 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.208 -3.781 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.062 -6.098 8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.594 -5.722 6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.082 -3.930 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.568 -4.346 9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.448 -6.656 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.959 -6.243 7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.786 -6.090 8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.436 -4.554 8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.940 -4.955 9.842 1.00 0.00 H new ATOM 669 N VAL A 40 3.916 -2.526 6.551 1.00 0.00 N ATOM 670 CA VAL A 40 2.886 -1.459 6.616 1.00 0.00 C ATOM 671 C VAL A 40 1.460 -2.015 6.428 1.00 0.00 C ATOM 672 O VAL A 40 0.559 -1.692 7.214 1.00 0.00 O ATOM 673 CB VAL A 40 3.136 -0.371 5.553 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.916 0.527 5.412 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.363 0.453 5.911 1.00 0.00 C ATOM 0 H VAL A 40 4.619 -2.363 5.830 1.00 0.00 H new ATOM 0 HA VAL A 40 2.966 -1.024 7.612 1.00 0.00 H new ATOM 0 HB VAL A 40 3.317 -0.861 4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.110 1.289 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.057 -0.072 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.706 1.008 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.524 1.216 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.210 0.932 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.236 -0.198 5.963 1.00 0.00 H new ATOM 685 N LEU A 41 1.286 -2.871 5.417 1.00 0.00 N ATOM 686 CA LEU A 41 0.005 -3.537 5.145 1.00 0.00 C ATOM 687 C LEU A 41 -0.381 -4.496 6.287 1.00 0.00 C ATOM 688 O LEU A 41 -1.497 -4.429 6.778 1.00 0.00 O ATOM 689 CB LEU A 41 0.076 -4.292 3.812 1.00 0.00 C ATOM 690 CG LEU A 41 0.079 -3.408 2.559 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.422 -4.242 1.332 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.282 -2.747 2.399 1.00 0.00 C ATOM 0 H LEU A 41 2.027 -3.123 4.763 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.768 -2.771 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.978 -4.904 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.772 -4.974 3.754 1.00 0.00 H new ATOM 0 HG LEU A 41 0.836 -2.631 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.422 -3.605 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.409 -4.687 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.319 -5.032 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.279 -2.119 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.050 -3.514 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.494 -2.134 3.275 1.00 0.00 H new ATOM 704 N ASN A 42 0.557 -5.359 6.718 1.00 0.00 N ATOM 705 CA ASN A 42 0.313 -6.342 7.802 1.00 0.00 C ATOM 706 C ASN A 42 -0.051 -5.650 9.143 1.00 0.00 C ATOM 707 O ASN A 42 -0.958 -6.106 9.851 1.00 0.00 O ATOM 708 CB ASN A 42 1.509 -7.255 7.996 1.00 0.00 C ATOM 709 CG ASN A 42 1.659 -8.293 6.918 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.700 -8.627 6.212 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.835 -8.862 6.842 1.00 0.00 N ATOM 0 H ASN A 42 1.500 -5.399 6.331 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.541 -6.944 7.492 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.415 -6.650 8.034 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.420 -7.756 8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.993 -9.619 6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.593 -8.548 7.448 1.00 0.00 H new ATOM 718 N GLU A 43 0.646 -4.532 9.474 1.00 0.00 N ATOM 719 CA GLU A 43 0.376 -3.757 10.713 1.00 0.00 C ATOM 720 C GLU A 43 -1.038 -3.162 10.664 1.00 0.00 C ATOM 721 O GLU A 43 -1.754 -3.175 11.656 1.00 0.00 O ATOM 722 CB GLU A 43 1.408 -2.645 10.903 1.00 0.00 C ATOM 723 CG GLU A 43 2.787 -3.131 11.331 1.00 0.00 C ATOM 724 CD GLU A 43 3.784 -2.007 11.339 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.429 -0.919 10.956 1.00 0.00 O ATOM 726 OE2 GLU A 43 4.869 -2.207 11.833 1.00 0.00 O ATOM 0 H GLU A 43 1.398 -4.148 8.901 1.00 0.00 H new ATOM 0 HA GLU A 43 0.450 -4.437 11.562 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.505 -2.093 9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.035 -1.944 11.650 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.727 -3.573 12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.125 -3.915 10.653 1.00 0.00 H new ATOM 733 N ARG A 44 -1.418 -2.652 9.481 1.00 0.00 N ATOM 734 CA ARG A 44 -2.760 -2.099 9.226 1.00 0.00 C ATOM 735 C ARG A 44 -3.840 -3.193 9.332 1.00 0.00 C ATOM 736 O ARG A 44 -4.913 -2.957 9.896 1.00 0.00 O ATOM 737 CB ARG A 44 -2.837 -1.367 7.894 1.00 0.00 C ATOM 738 CG ARG A 44 -4.197 -0.773 7.568 1.00 0.00 C ATOM 739 CD ARG A 44 -4.521 0.466 8.320 1.00 0.00 C ATOM 740 NE ARG A 44 -5.189 0.242 9.592 1.00 0.00 N ATOM 741 CZ ARG A 44 -5.582 1.218 10.433 1.00 0.00 C ATOM 742 NH1 ARG A 44 -5.342 2.482 10.162 1.00 0.00 N ATOM 743 NH2 ARG A 44 -6.193 0.871 11.552 1.00 0.00 N ATOM 0 H ARG A 44 -0.800 -2.611 8.670 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.955 -1.359 10.002 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.097 -0.566 7.893 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.559 -2.059 7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.239 -0.557 6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.965 -1.519 7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.599 1.018 8.501 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.154 1.098 7.698 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.373 -0.723 9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.852 2.735 9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.646 3.209 10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.356 -0.114 11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.502 1.588 12.208 1.00 0.00 H new ATOM 757 N MET A 45 -3.541 -4.391 8.803 1.00 0.00 N ATOM 758 CA MET A 45 -4.544 -5.457 8.629 1.00 0.00 C ATOM 759 C MET A 45 -4.715 -6.322 9.883 1.00 0.00 C ATOM 760 O MET A 45 -5.712 -7.039 9.998 1.00 0.00 O ATOM 761 CB MET A 45 -4.163 -6.339 7.441 1.00 0.00 C ATOM 762 CG MET A 45 -4.228 -5.641 6.091 1.00 0.00 C ATOM 763 SD MET A 45 -5.878 -5.024 5.705 1.00 0.00 S ATOM 764 CE MET A 45 -6.756 -6.559 5.424 1.00 0.00 C ATOM 0 H MET A 45 -2.606 -4.647 8.486 1.00 0.00 H new ATOM 0 HA MET A 45 -5.500 -4.968 8.444 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.151 -6.715 7.593 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.825 -7.205 7.420 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.523 -4.810 6.082 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.913 -6.335 5.312 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.326 -6.488 4.497 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.041 -7.378 5.349 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.436 -6.746 6.255 1.00 0.00 H new ATOM 774 N ASP A 46 -3.767 -6.222 10.833 1.00 0.00 N ATOM 775 CA ASP A 46 -3.821 -6.992 12.091 1.00 0.00 C ATOM 776 C ASP A 46 -5.137 -6.675 12.868 1.00 0.00 C ATOM 777 O ASP A 46 -5.900 -7.609 13.151 1.00 0.00 O ATOM 778 CB ASP A 46 -2.598 -6.685 12.960 1.00 0.00 C ATOM 779 CG ASP A 46 -1.322 -7.389 12.519 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.407 -8.278 11.705 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.262 -6.932 12.876 1.00 0.00 O ATOM 0 H ASP A 46 -2.952 -5.614 10.753 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.812 -8.054 11.847 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.425 -5.609 12.956 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.818 -6.968 13.989 1.00 0.00 H new ATOM 786 N PRO A 47 -5.448 -5.359 13.212 1.00 0.00 N ATOM 787 CA PRO A 47 -6.699 -5.007 13.935 1.00 0.00 C ATOM 788 C PRO A 47 -7.961 -5.182 13.063 1.00 0.00 C ATOM 789 O PRO A 47 -9.054 -5.373 13.580 1.00 0.00 O ATOM 790 CB PRO A 47 -6.489 -3.543 14.338 1.00 0.00 C ATOM 791 CG PRO A 47 -5.539 -3.010 13.322 1.00 0.00 C ATOM 792 CD PRO A 47 -4.596 -4.146 13.022 1.00 0.00 C ATOM 0 HA PRO A 47 -6.873 -5.662 14.788 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.429 -2.991 14.331 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.079 -3.463 15.345 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.065 -2.688 12.423 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.001 -2.143 13.704 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.203 -4.085 12.007 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.739 -4.146 13.696 1.00 0.00 H new ATOM 800 N ILE A 48 -7.760 -5.140 11.733 1.00 0.00 N ATOM 801 CA ILE A 48 -8.838 -5.223 10.725 1.00 0.00 C ATOM 802 C ILE A 48 -9.514 -6.629 10.725 1.00 0.00 C ATOM 803 O ILE A 48 -10.744 -6.732 10.576 1.00 0.00 O ATOM 804 CB ILE A 48 -8.305 -4.915 9.313 1.00 0.00 C ATOM 805 CG1 ILE A 48 -7.823 -3.465 9.228 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.378 -5.185 8.270 1.00 0.00 C ATOM 807 CD1 ILE A 48 -8.929 -2.445 9.374 1.00 0.00 C ATOM 0 H ILE A 48 -6.832 -5.046 11.321 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.582 -4.475 10.997 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.458 -5.570 9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.078 -3.293 10.005 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.325 -3.313 8.270 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.985 -4.962 7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.675 -6.233 8.316 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.244 -4.554 8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.510 -1.441 9.303 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.663 -2.589 8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.412 -2.569 10.343 1.00 0.00 H new ATOM 819 N LYS A 49 -8.711 -7.696 10.956 1.00 0.00 N ATOM 820 CA LYS A 49 -9.215 -9.092 11.070 1.00 0.00 C ATOM 821 C LYS A 49 -9.959 -9.281 12.407 1.00 0.00 C ATOM 822 O LYS A 49 -10.980 -9.975 12.479 1.00 0.00 O ATOM 823 CB LYS A 49 -8.070 -10.099 10.956 1.00 0.00 C ATOM 824 CG LYS A 49 -7.451 -10.193 9.567 1.00 0.00 C ATOM 825 CD LYS A 49 -6.360 -11.252 9.518 1.00 0.00 C ATOM 826 CE LYS A 49 -5.679 -11.284 8.159 1.00 0.00 C ATOM 827 NZ LYS A 49 -4.616 -12.323 8.092 1.00 0.00 N ATOM 0 H LYS A 49 -7.700 -7.617 11.068 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.909 -9.272 10.249 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.292 -9.828 11.670 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.438 -11.084 11.244 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.225 -10.431 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.035 -9.226 9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.620 -11.051 10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.790 -12.230 9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.423 -11.476 7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.245 -10.307 7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.178 -12.311 7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.892 -12.126 8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.034 -13.259 8.267 1.00 0.00 H new ATOM 841 N LYS A 50 -9.406 -8.641 13.454 1.00 0.00 N ATOM 842 CA LYS A 50 -10.027 -8.538 14.789 1.00 0.00 C ATOM 843 C LYS A 50 -11.409 -7.842 14.712 1.00 0.00 C ATOM 844 O LYS A 50 -12.305 -8.142 15.509 1.00 0.00 O ATOM 845 CB LYS A 50 -9.107 -7.779 15.748 1.00 0.00 C ATOM 846 CG LYS A 50 -9.683 -7.574 17.142 1.00 0.00 C ATOM 847 CD LYS A 50 -8.737 -6.766 18.019 1.00 0.00 C ATOM 848 CE LYS A 50 -8.698 -5.306 17.595 1.00 0.00 C ATOM 849 NZ LYS A 50 -7.822 -4.492 18.480 1.00 0.00 N ATOM 0 H LYS A 50 -8.501 -8.174 13.396 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.177 -9.549 15.167 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.165 -8.321 15.833 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.877 -6.805 15.316 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.642 -7.061 17.070 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.873 -8.542 17.605 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.054 -6.836 19.060 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.734 -7.190 17.962 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.341 -5.236 16.568 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.708 -4.897 17.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.824 -3.504 18.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.177 -4.537 19.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.852 -4.865 18.447 1.00 0.00 H new ATOM 863 N LEU A 51 -11.561 -6.910 13.749 1.00 0.00 N ATOM 864 CA LEU A 51 -12.837 -6.200 13.503 1.00 0.00 C ATOM 865 C LEU A 51 -13.835 -7.110 12.765 1.00 0.00 C ATOM 866 O LEU A 51 -15.050 -6.994 12.972 1.00 0.00 O ATOM 867 CB LEU A 51 -12.590 -4.918 12.698 1.00 0.00 C ATOM 868 CG LEU A 51 -11.821 -3.818 13.442 1.00 0.00 C ATOM 869 CD1 LEU A 51 -11.454 -2.696 12.480 1.00 0.00 C ATOM 870 CD2 LEU A 51 -12.670 -3.290 14.588 1.00 0.00 C ATOM 0 H LEU A 51 -10.808 -6.628 13.122 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.268 -5.930 14.467 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.039 -5.176 11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.552 -4.516 12.381 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.899 -4.232 13.851 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.909 -1.920 13.017 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.828 -3.092 11.681 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.362 -2.271 12.053 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.123 -2.509 15.116 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.599 -2.879 14.193 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.897 -4.103 15.277 1.00 0.00 H new ATOM 882 N GLY A 52 -13.295 -8.008 11.907 1.00 0.00 N ATOM 883 CA GLY A 52 -14.050 -9.130 11.359 1.00 0.00 C ATOM 884 C GLY A 52 -15.073 -8.684 10.328 1.00 0.00 C ATOM 885 O GLY A 52 -16.269 -8.993 10.451 1.00 0.00 O ATOM 0 H GLY A 52 -12.328 -7.964 11.585 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.361 -9.840 10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.557 -9.654 12.169 1.00 0.00 H new ATOM 889 N CYS A 53 -14.613 -7.943 9.316 1.00 0.00 N ATOM 890 CA CYS A 53 -15.443 -7.530 8.178 1.00 0.00 C ATOM 891 C CYS A 53 -15.373 -8.568 7.049 1.00 0.00 C ATOM 892 O CYS A 53 -14.408 -9.328 6.962 1.00 0.00 O ATOM 893 CB CYS A 53 -14.975 -6.138 7.719 1.00 0.00 C ATOM 894 SG CYS A 53 -14.754 -4.984 9.106 1.00 0.00 S ATOM 0 H CYS A 53 -13.650 -7.611 9.262 1.00 0.00 H new ATOM 0 HA CYS A 53 -16.490 -7.470 8.474 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -14.034 -6.235 7.178 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -15.703 -5.726 7.020 1.00 0.00 H new ATOM 899 N LYS A 54 -16.433 -8.617 6.219 1.00 0.00 N ATOM 900 CA LYS A 54 -16.528 -9.538 5.075 1.00 0.00 C ATOM 901 C LYS A 54 -15.400 -9.255 4.073 1.00 0.00 C ATOM 902 O LYS A 54 -14.461 -10.035 3.944 1.00 0.00 O ATOM 903 CB LYS A 54 -17.890 -9.415 4.389 1.00 0.00 C ATOM 904 CG LYS A 54 -18.106 -10.390 3.240 1.00 0.00 C ATOM 905 CD LYS A 54 -19.512 -10.271 2.670 1.00 0.00 C ATOM 906 CE LYS A 54 -19.724 -11.236 1.512 1.00 0.00 C ATOM 907 NZ LYS A 54 -21.099 -11.139 0.952 1.00 0.00 N ATOM 0 H LYS A 54 -17.250 -8.015 6.326 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.424 -10.558 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.673 -9.569 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.003 -8.398 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.375 -10.197 2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.938 -11.409 3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -20.242 -10.474 3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -19.684 -9.249 2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.997 -11.026 0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.542 -12.256 1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.202 -11.812 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.793 -11.364 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -21.265 -10.173 0.604 1.00 0.00 H new ATOM 921 N ARG A 55 -15.501 -8.103 3.407 1.00 0.00 N ATOM 922 CA ARG A 55 -14.500 -7.620 2.446 1.00 0.00 C ATOM 923 C ARG A 55 -14.132 -6.182 2.807 1.00 0.00 C ATOM 924 O ARG A 55 -14.933 -5.470 3.434 1.00 0.00 O ATOM 925 CB ARG A 55 -14.951 -7.748 0.998 1.00 0.00 C ATOM 926 CG ARG A 55 -15.078 -9.175 0.492 1.00 0.00 C ATOM 927 CD ARG A 55 -15.602 -9.289 -0.894 1.00 0.00 C ATOM 928 NE ARG A 55 -15.647 -10.647 -1.411 1.00 0.00 N ATOM 929 CZ ARG A 55 -16.124 -10.989 -2.624 1.00 0.00 C ATOM 930 NH1 ARG A 55 -16.630 -10.084 -3.432 1.00 0.00 N ATOM 931 NH2 ARG A 55 -16.090 -12.264 -2.973 1.00 0.00 N ATOM 0 H ARG A 55 -16.291 -7.468 3.520 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.616 -8.254 2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.915 -7.252 0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.243 -7.214 0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.099 -9.653 0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.735 -9.729 1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.607 -8.868 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.982 -8.682 -1.554 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.292 -11.394 -0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.666 -9.106 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.987 -10.360 -4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.710 -12.959 -2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.444 -12.553 -3.885 1.00 0.00 H new ATOM 945 N VAL A 56 -12.921 -5.759 2.431 1.00 0.00 N ATOM 946 CA VAL A 56 -12.392 -4.431 2.771 1.00 0.00 C ATOM 947 C VAL A 56 -11.822 -3.765 1.515 1.00 0.00 C ATOM 948 O VAL A 56 -11.398 -4.449 0.578 1.00 0.00 O ATOM 949 CB VAL A 56 -11.297 -4.506 3.852 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.870 -5.042 5.155 1.00 0.00 C ATOM 951 CG2 VAL A 56 -10.142 -5.377 3.381 1.00 0.00 C ATOM 0 H VAL A 56 -12.277 -6.328 1.881 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.217 -3.840 3.170 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.920 -3.499 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.082 -5.088 5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.665 -4.382 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.274 -6.041 4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.378 -5.419 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.506 -6.384 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.714 -4.953 2.473 1.00 0.00 H new ATOM 961 N ARG A 57 -11.839 -2.431 1.498 1.00 0.00 N ATOM 962 CA ARG A 57 -11.253 -1.634 0.418 1.00 0.00 C ATOM 963 C ARG A 57 -10.127 -0.784 1.001 1.00 0.00 C ATOM 964 O ARG A 57 -10.328 -0.069 1.990 1.00 0.00 O ATOM 965 CB ARG A 57 -12.281 -0.794 -0.328 1.00 0.00 C ATOM 966 CG ARG A 57 -11.708 0.094 -1.421 1.00 0.00 C ATOM 967 CD ARG A 57 -12.727 0.855 -2.187 1.00 0.00 C ATOM 968 NE ARG A 57 -13.614 0.032 -2.996 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.707 0.489 -3.638 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.074 1.747 -3.539 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.416 -0.370 -4.350 1.00 0.00 N ATOM 0 H ARG A 57 -12.262 -1.870 2.237 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.849 -2.310 -0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.021 -1.460 -0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.808 -0.167 0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.008 0.798 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.137 -0.525 -2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.329 1.437 -1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.218 1.566 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.393 -0.960 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.529 2.394 -2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.904 2.076 -4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.130 -1.348 -4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.249 -0.055 -4.848 1.00 0.00 H new ATOM 985 N ILE A 58 -8.936 -0.898 0.399 1.00 0.00 N ATOM 986 CA ILE A 58 -7.705 -0.260 0.876 1.00 0.00 C ATOM 987 C ILE A 58 -7.233 0.729 -0.203 1.00 0.00 C ATOM 988 O ILE A 58 -7.161 0.378 -1.385 1.00 0.00 O ATOM 989 CB ILE A 58 -6.592 -1.283 1.174 1.00 0.00 C ATOM 990 CG1 ILE A 58 -7.071 -2.304 2.211 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.336 -0.576 1.658 1.00 0.00 C ATOM 992 CD1 ILE A 58 -6.141 -3.484 2.378 1.00 0.00 C ATOM 0 H ILE A 58 -8.800 -1.447 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.918 0.253 1.814 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.352 -1.814 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.186 -1.805 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.057 -2.668 1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.560 -1.313 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.987 0.113 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.559 -0.020 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.546 -4.163 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.045 -4.009 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.161 -3.132 2.699 1.00 0.00 H new ATOM 1004 N SER A 59 -6.954 1.960 0.208 1.00 0.00 N ATOM 1005 CA SER A 59 -6.401 2.999 -0.654 1.00 0.00 C ATOM 1006 C SER A 59 -4.978 3.312 -0.174 1.00 0.00 C ATOM 1007 O SER A 59 -4.775 3.600 1.005 1.00 0.00 O ATOM 1008 CB SER A 59 -7.274 4.239 -0.632 1.00 0.00 C ATOM 1009 OG SER A 59 -6.720 5.287 -1.380 1.00 0.00 O ATOM 0 H SER A 59 -7.108 2.270 1.167 1.00 0.00 H new ATOM 0 HA SER A 59 -6.371 2.651 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.260 3.995 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.415 4.565 0.399 1.00 0.00 H new ATOM 0 HG SER A 59 -7.314 6.066 -1.341 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.995 3.209 -1.087 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.580 3.507 -0.794 1.00 0.00 C ATOM 1017 C ILE A 60 -2.131 4.719 -1.613 1.00 0.00 C ATOM 1018 O ILE A 60 -2.162 4.689 -2.847 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.660 2.312 -1.104 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -2.101 1.078 -0.312 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.212 2.660 -0.792 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -3.025 0.158 -1.077 1.00 0.00 C ATOM 0 H ILE A 60 -4.159 2.916 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.502 3.719 0.272 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.736 2.083 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.217 0.518 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.601 1.403 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.424 1.804 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.097 3.511 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.118 2.914 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.293 -0.692 -0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.928 0.700 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.521 -0.199 -1.976 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.740 5.800 -0.932 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.271 7.018 -1.600 1.00 0.00 C ATOM 1036 C ARG A 61 0.197 7.241 -1.227 1.00 0.00 C ATOM 1037 O ARG A 61 0.560 7.184 -0.045 1.00 0.00 O ATOM 1038 CB ARG A 61 -2.134 8.233 -1.295 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.746 9.497 -2.046 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.730 10.603 -1.933 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.840 11.179 -0.602 1.00 0.00 N ATOM 1042 CZ ARG A 61 -3.715 12.143 -0.256 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -4.533 12.667 -1.142 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -3.715 12.565 0.997 1.00 0.00 N ATOM 0 H ARG A 61 -1.739 5.856 0.086 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.357 6.882 -2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.171 7.992 -1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.087 8.435 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.782 9.845 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.612 9.252 -3.100 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.454 11.391 -2.634 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.709 10.234 -2.237 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.211 10.828 0.120 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.512 12.344 -2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.189 13.396 -0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.064 12.162 1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.366 13.294 1.290 1.00 0.00 H new ATOM 1058 N VAL A 62 1.024 7.505 -2.241 1.00 0.00 N ATOM 1059 CA VAL A 62 2.478 7.616 -2.090 1.00 0.00 C ATOM 1060 C VAL A 62 2.867 9.098 -2.239 1.00 0.00 C ATOM 1061 O VAL A 62 2.298 9.817 -3.082 1.00 0.00 O ATOM 1062 CB VAL A 62 3.239 6.766 -3.125 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.049 7.336 -4.524 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.718 6.698 -2.774 1.00 0.00 C ATOM 0 H VAL A 62 0.702 7.649 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 62 2.755 7.238 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 62 2.834 5.754 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.593 6.724 -5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.989 7.336 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.429 8.357 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.241 6.094 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.137 7.704 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.838 6.247 -1.789 1.00 0.00 H new ATOM 1074 N LYS A 63 3.802 9.566 -1.401 1.00 0.00 N ATOM 1075 CA LYS A 63 4.290 10.944 -1.473 1.00 0.00 C ATOM 1076 C LYS A 63 5.506 10.991 -2.418 1.00 0.00 C ATOM 1077 O LYS A 63 6.426 10.172 -2.303 1.00 0.00 O ATOM 1078 CB LYS A 63 4.657 11.468 -0.085 1.00 0.00 C ATOM 1079 CG LYS A 63 5.158 12.907 -0.069 1.00 0.00 C ATOM 1080 CD LYS A 63 5.502 13.357 1.343 1.00 0.00 C ATOM 1081 CE LYS A 63 6.013 14.790 1.359 1.00 0.00 C ATOM 1082 NZ LYS A 63 6.362 15.241 2.734 1.00 0.00 N ATOM 0 H LYS A 63 4.234 9.007 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 63 3.501 11.588 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.783 11.393 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.425 10.824 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.038 12.995 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.396 13.564 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.619 13.277 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.258 12.694 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.891 14.869 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.253 15.451 0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.706 16.222 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.519 15.190 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.106 14.627 3.123 1.00 0.00 H new ATOM 1096 N HIS A 64 5.477 11.944 -3.357 1.00 0.00 N ATOM 1097 CA HIS A 64 6.513 12.115 -4.389 1.00 0.00 C ATOM 1098 C HIS A 64 7.461 13.263 -4.013 1.00 0.00 C ATOM 1099 O HIS A 64 7.025 14.239 -3.405 1.00 0.00 O ATOM 1100 CB HIS A 64 5.881 12.381 -5.759 1.00 0.00 C ATOM 1101 CG HIS A 64 5.016 11.262 -6.250 1.00 0.00 C ATOM 1102 ND1 HIS A 64 5.534 10.086 -6.750 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.669 11.140 -6.319 1.00 0.00 C ATOM 1104 CE1 HIS A 64 4.541 9.288 -7.104 1.00 0.00 C ATOM 1105 NE2 HIS A 64 3.401 9.904 -6.853 1.00 0.00 N ATOM 0 H HIS A 64 4.724 12.629 -3.424 1.00 0.00 H new ATOM 0 HA HIS A 64 7.086 11.190 -4.448 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.285 13.292 -5.704 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.673 12.562 -6.486 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.942 11.877 -6.012 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.645 8.300 -7.527 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.471 9.523 -7.028 1.00 0.00 H new ATOM 1113 N SER A 65 8.750 13.120 -4.369 1.00 0.00 N ATOM 1114 CA SER A 65 9.819 14.055 -3.968 1.00 0.00 C ATOM 1115 C SER A 65 9.497 15.498 -4.428 1.00 0.00 C ATOM 1116 O SER A 65 9.591 16.452 -3.644 1.00 0.00 O ATOM 1117 CB SER A 65 11.149 13.600 -4.538 1.00 0.00 C ATOM 1118 OG SER A 65 11.556 12.370 -4.005 1.00 0.00 O ATOM 0 H SER A 65 9.082 12.348 -4.947 1.00 0.00 H new ATOM 0 HA SER A 65 9.883 14.057 -2.880 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.069 13.517 -5.622 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.909 14.354 -4.331 1.00 0.00 H new ATOM 0 HG SER A 65 11.541 11.688 -4.708 1.00 0.00 H new ATOM 1124 N ASP A 66 9.055 15.629 -5.684 1.00 0.00 N ATOM 1125 CA ASP A 66 8.790 16.932 -6.330 1.00 0.00 C ATOM 1126 C ASP A 66 7.841 16.714 -7.520 1.00 0.00 C ATOM 1127 O ASP A 66 7.628 15.576 -7.907 1.00 0.00 O ATOM 1128 CB ASP A 66 10.090 17.596 -6.793 1.00 0.00 C ATOM 1129 CG ASP A 66 9.995 19.106 -6.973 1.00 0.00 C ATOM 1130 OD1 ASP A 66 8.929 19.641 -6.780 1.00 0.00 O ATOM 1131 OD2 ASP A 66 11.015 19.728 -7.145 1.00 0.00 O ATOM 0 H ASP A 66 8.868 14.831 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 66 8.324 17.600 -5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.874 17.377 -6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.396 17.148 -7.738 1.00 0.00 H new ATOM 1136 N ALA A 67 7.294 17.810 -8.093 1.00 0.00 N ATOM 1137 CA ALA A 67 6.303 17.771 -9.200 1.00 0.00 C ATOM 1138 C ALA A 67 6.814 17.019 -10.449 1.00 0.00 C ATOM 1139 O ALA A 67 6.113 16.149 -10.986 1.00 0.00 O ATOM 1140 CB ALA A 67 5.866 19.201 -9.559 1.00 0.00 C ATOM 0 H ALA A 67 7.529 18.758 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 67 5.443 17.205 -8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.140 19.166 -10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.413 19.673 -8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.735 19.779 -9.874 1.00 0.00 H new ATOM 1146 N ALA A 68 8.040 17.354 -10.893 1.00 0.00 N ATOM 1147 CA ALA A 68 8.674 16.719 -12.066 1.00 0.00 C ATOM 1148 C ALA A 68 8.975 15.237 -11.784 1.00 0.00 C ATOM 1149 O ALA A 68 8.860 14.384 -12.674 1.00 0.00 O ATOM 1150 CB ALA A 68 9.967 17.460 -12.437 1.00 0.00 C ATOM 0 H ALA A 68 8.618 18.069 -10.451 1.00 0.00 H new ATOM 0 HA ALA A 68 7.981 16.777 -12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.425 16.982 -13.303 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.736 18.498 -12.675 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.660 17.427 -11.596 1.00 0.00 H new ATOM 1156 N GLU A 69 9.334 14.956 -10.517 1.00 0.00 N ATOM 1157 CA GLU A 69 9.748 13.623 -10.062 1.00 0.00 C ATOM 1158 C GLU A 69 8.579 12.623 -10.105 1.00 0.00 C ATOM 1159 O GLU A 69 8.805 11.451 -10.346 1.00 0.00 O ATOM 1160 CB GLU A 69 10.322 13.698 -8.645 1.00 0.00 C ATOM 1161 CG GLU A 69 11.645 14.444 -8.543 1.00 0.00 C ATOM 1162 CD GLU A 69 12.701 13.805 -9.400 1.00 0.00 C ATOM 1163 OE1 GLU A 69 12.910 12.623 -9.268 1.00 0.00 O ATOM 1164 OE2 GLU A 69 13.221 14.471 -10.264 1.00 0.00 O ATOM 0 H GLU A 69 9.344 15.657 -9.776 1.00 0.00 H new ATOM 0 HA GLU A 69 10.521 13.267 -10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.594 14.184 -7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.460 12.685 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.504 15.481 -8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.977 14.460 -7.505 1.00 0.00 H new ATOM 1171 N GLU A 70 7.337 13.152 -9.942 1.00 0.00 N ATOM 1172 CA GLU A 70 6.063 12.378 -9.767 1.00 0.00 C ATOM 1173 C GLU A 70 5.835 11.242 -10.782 1.00 0.00 C ATOM 1174 O GLU A 70 5.488 10.122 -10.390 1.00 0.00 O ATOM 1175 CB GLU A 70 4.868 13.333 -9.825 1.00 0.00 C ATOM 1176 CG GLU A 70 4.695 14.199 -8.585 1.00 0.00 C ATOM 1177 CD GLU A 70 3.552 15.162 -8.747 1.00 0.00 C ATOM 1178 OE1 GLU A 70 2.981 15.204 -9.812 1.00 0.00 O ATOM 1179 OE2 GLU A 70 3.176 15.776 -7.776 1.00 0.00 O ATOM 0 H GLU A 70 7.182 14.160 -9.927 1.00 0.00 H new ATOM 0 HA GLU A 70 6.159 11.897 -8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.979 13.982 -10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.959 12.750 -9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.518 13.564 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.615 14.752 -8.393 1.00 0.00 H new ATOM 1186 N LYS A 71 6.030 11.552 -12.065 1.00 0.00 N ATOM 1187 CA LYS A 71 5.747 10.635 -13.181 1.00 0.00 C ATOM 1188 C LYS A 71 6.659 9.397 -13.114 1.00 0.00 C ATOM 1189 O LYS A 71 6.196 8.250 -13.199 1.00 0.00 O ATOM 1190 CB LYS A 71 5.923 11.349 -14.522 1.00 0.00 C ATOM 1191 CG LYS A 71 4.863 12.403 -14.817 1.00 0.00 C ATOM 1192 CD LYS A 71 5.106 13.070 -16.162 1.00 0.00 C ATOM 1193 CE LYS A 71 4.068 14.147 -16.443 1.00 0.00 C ATOM 1194 NZ LYS A 71 4.309 14.826 -17.744 1.00 0.00 N ATOM 0 H LYS A 71 6.393 12.456 -12.366 1.00 0.00 H new ATOM 0 HA LYS A 71 4.711 10.306 -13.095 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.904 11.823 -14.542 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.911 10.606 -15.320 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.876 11.941 -14.811 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.867 13.156 -14.029 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.103 13.511 -16.177 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.077 12.320 -16.952 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.074 13.700 -16.446 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.084 14.884 -15.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.580 15.552 -17.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.247 15.274 -17.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.268 14.127 -18.513 1.00 0.00 H new ATOM 1208 N LYS A 72 7.956 9.657 -12.926 1.00 0.00 N ATOM 1209 CA LYS A 72 8.992 8.621 -12.870 1.00 0.00 C ATOM 1210 C LYS A 72 8.864 7.772 -11.577 1.00 0.00 C ATOM 1211 O LYS A 72 8.936 6.549 -11.636 1.00 0.00 O ATOM 1212 CB LYS A 72 10.380 9.256 -12.958 1.00 0.00 C ATOM 1213 CG LYS A 72 10.714 9.854 -14.318 1.00 0.00 C ATOM 1214 CD LYS A 72 12.104 10.473 -14.324 1.00 0.00 C ATOM 1215 CE LYS A 72 12.421 11.110 -15.669 1.00 0.00 C ATOM 1216 NZ LYS A 72 13.767 11.744 -15.681 1.00 0.00 N ATOM 0 H LYS A 72 8.320 10.602 -12.807 1.00 0.00 H new ATOM 0 HA LYS A 72 8.855 7.956 -13.723 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.457 10.038 -12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.127 8.501 -12.713 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.655 9.079 -15.082 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.975 10.613 -14.576 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.173 11.225 -13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.846 9.707 -14.098 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.370 10.352 -16.450 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.665 11.860 -15.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.944 12.166 -16.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.808 12.485 -14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.491 11.024 -15.484 1.00 0.00 H new ATOM 1230 N GLU A 73 8.620 8.448 -10.432 1.00 0.00 N ATOM 1231 CA GLU A 73 8.541 7.824 -9.088 1.00 0.00 C ATOM 1232 C GLU A 73 7.251 6.992 -8.962 1.00 0.00 C ATOM 1233 O GLU A 73 7.243 5.946 -8.320 1.00 0.00 O ATOM 1234 CB GLU A 73 8.595 8.886 -7.989 1.00 0.00 C ATOM 1235 CG GLU A 73 9.963 9.526 -7.798 1.00 0.00 C ATOM 1236 CD GLU A 73 9.951 10.514 -6.665 1.00 0.00 C ATOM 1237 OE1 GLU A 73 8.892 10.794 -6.157 1.00 0.00 O ATOM 1238 OE2 GLU A 73 11.010 10.903 -6.233 1.00 0.00 O ATOM 0 H GLU A 73 8.470 9.457 -10.413 1.00 0.00 H new ATOM 0 HA GLU A 73 9.400 7.164 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.871 9.667 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.285 8.433 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.704 8.752 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.264 10.028 -8.718 1.00 0.00 H new ATOM 1245 N ALA A 74 6.171 7.497 -9.590 1.00 0.00 N ATOM 1246 CA ALA A 74 4.875 6.802 -9.645 1.00 0.00 C ATOM 1247 C ALA A 74 4.988 5.479 -10.422 1.00 0.00 C ATOM 1248 O ALA A 74 4.527 4.458 -9.945 1.00 0.00 O ATOM 1249 CB ALA A 74 3.809 7.707 -10.269 1.00 0.00 C ATOM 0 H ALA A 74 6.175 8.396 -10.072 1.00 0.00 H new ATOM 0 HA ALA A 74 4.574 6.565 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.857 7.178 -10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.702 8.610 -9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.109 7.978 -11.281 1.00 0.00 H new ATOM 1255 N LYS A 75 5.619 5.539 -11.621 1.00 0.00 N ATOM 1256 CA LYS A 75 5.919 4.357 -12.474 1.00 0.00 C ATOM 1257 C LYS A 75 6.785 3.313 -11.718 1.00 0.00 C ATOM 1258 O LYS A 75 6.470 2.111 -11.689 1.00 0.00 O ATOM 1259 CB LYS A 75 6.627 4.791 -13.759 1.00 0.00 C ATOM 1260 CG LYS A 75 6.944 3.652 -14.719 1.00 0.00 C ATOM 1261 CD LYS A 75 7.580 4.168 -16.000 1.00 0.00 C ATOM 1262 CE LYS A 75 7.936 3.026 -16.941 1.00 0.00 C ATOM 1263 NZ LYS A 75 8.577 3.515 -18.192 1.00 0.00 N ATOM 0 H LYS A 75 5.938 6.418 -12.029 1.00 0.00 H new ATOM 0 HA LYS A 75 4.969 3.887 -12.729 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.003 5.521 -14.274 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.556 5.296 -13.495 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.617 2.944 -14.236 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.029 3.110 -14.958 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.894 4.852 -16.499 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.478 4.737 -15.759 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.610 2.335 -16.434 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.034 2.467 -17.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.804 2.706 -18.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.925 4.154 -18.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.451 4.027 -17.957 1.00 0.00 H new ATOM 1277 N LYS A 76 7.848 3.824 -11.085 1.00 0.00 N ATOM 1278 CA LYS A 76 8.830 3.047 -10.302 1.00 0.00 C ATOM 1279 C LYS A 76 8.155 2.395 -9.083 1.00 0.00 C ATOM 1280 O LYS A 76 8.248 1.180 -8.879 1.00 0.00 O ATOM 1281 CB LYS A 76 9.991 3.936 -9.853 1.00 0.00 C ATOM 1282 CG LYS A 76 11.034 3.225 -9.002 1.00 0.00 C ATOM 1283 CD LYS A 76 11.750 2.142 -9.793 1.00 0.00 C ATOM 1284 CE LYS A 76 12.808 1.445 -8.949 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.498 0.364 -9.704 1.00 0.00 N ATOM 0 H LYS A 76 8.060 4.822 -11.101 1.00 0.00 H new ATOM 0 HA LYS A 76 9.227 2.259 -10.942 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.480 4.348 -10.736 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.591 4.778 -9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.761 3.949 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.554 2.783 -8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.025 1.409 -10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.217 2.582 -10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.542 2.176 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.342 1.025 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.018 -0.245 -9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.794 -0.204 -10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.165 0.785 -10.382 1.00 0.00 H new ATOM 1299 N PHE A 77 7.432 3.218 -8.307 1.00 0.00 N ATOM 1300 CA PHE A 77 6.775 2.780 -7.065 1.00 0.00 C ATOM 1301 C PHE A 77 5.592 1.847 -7.386 1.00 0.00 C ATOM 1302 O PHE A 77 5.299 0.940 -6.621 1.00 0.00 O ATOM 1303 CB PHE A 77 6.297 3.985 -6.253 1.00 0.00 C ATOM 1304 CG PHE A 77 6.130 3.702 -4.788 1.00 0.00 C ATOM 1305 CD1 PHE A 77 7.233 3.621 -3.952 1.00 0.00 C ATOM 1306 CD2 PHE A 77 4.868 3.514 -4.243 1.00 0.00 C ATOM 1307 CE1 PHE A 77 7.080 3.359 -2.603 1.00 0.00 C ATOM 1308 CE2 PHE A 77 4.712 3.254 -2.895 1.00 0.00 C ATOM 1309 CZ PHE A 77 5.820 3.176 -2.074 1.00 0.00 C ATOM 0 H PHE A 77 7.287 4.204 -8.522 1.00 0.00 H new ATOM 0 HA PHE A 77 7.502 2.230 -6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.010 4.800 -6.377 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.345 4.329 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.223 3.764 -4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.998 3.572 -4.880 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.948 3.298 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.724 3.112 -2.483 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.700 2.972 -1.020 1.00 0.00 H new ATOM 1319 N ALA A 78 4.940 2.086 -8.538 1.00 0.00 N ATOM 1320 CA ALA A 78 3.833 1.249 -9.038 1.00 0.00 C ATOM 1321 C ALA A 78 4.291 -0.199 -9.234 1.00 0.00 C ATOM 1322 O ALA A 78 3.566 -1.125 -8.889 1.00 0.00 O ATOM 1323 CB ALA A 78 3.280 1.815 -10.350 1.00 0.00 C ATOM 0 H ALA A 78 5.167 2.869 -9.152 1.00 0.00 H new ATOM 0 HA ALA A 78 3.038 1.259 -8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.464 1.184 -10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.910 2.827 -10.183 1.00 0.00 H new ATOM 0 HB3 ALA A 78 4.072 1.838 -11.099 1.00 0.00 H new ATOM 1329 N ALA A 79 5.500 -0.371 -9.809 1.00 0.00 N ATOM 1330 CA ALA A 79 6.138 -1.689 -9.983 1.00 0.00 C ATOM 1331 C ALA A 79 6.390 -2.359 -8.620 1.00 0.00 C ATOM 1332 O ALA A 79 6.159 -3.562 -8.450 1.00 0.00 O ATOM 1333 CB ALA A 79 7.452 -1.527 -10.761 1.00 0.00 C ATOM 0 H ALA A 79 6.061 0.403 -10.166 1.00 0.00 H new ATOM 0 HA ALA A 79 5.467 -2.334 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.922 -2.502 -10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.245 -1.093 -11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.124 -0.870 -10.208 1.00 0.00 H new ATOM 1339 N ILE A 80 6.845 -1.538 -7.654 1.00 0.00 N ATOM 1340 CA ILE A 80 7.126 -1.968 -6.270 1.00 0.00 C ATOM 1341 C ILE A 80 5.846 -2.483 -5.588 1.00 0.00 C ATOM 1342 O ILE A 80 5.827 -3.604 -5.067 1.00 0.00 O ATOM 1343 CB ILE A 80 7.722 -0.825 -5.429 1.00 0.00 C ATOM 1344 CG1 ILE A 80 9.107 -0.440 -5.956 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.800 -1.226 -3.964 1.00 0.00 C ATOM 1346 CD1 ILE A 80 10.142 -1.531 -5.807 1.00 0.00 C ATOM 0 H ILE A 80 7.030 -0.548 -7.814 1.00 0.00 H new ATOM 0 HA ILE A 80 7.858 -2.774 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 80 7.068 0.043 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.023 -0.173 -7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.452 0.449 -5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.224 -0.406 -3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.800 -1.452 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.433 -2.108 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.096 -1.184 -6.203 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.256 -1.783 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.821 -2.415 -6.358 1.00 0.00 H new ATOM 1358 N LEU A 81 4.769 -1.674 -5.657 1.00 0.00 N ATOM 1359 CA LEU A 81 3.486 -1.971 -4.997 1.00 0.00 C ATOM 1360 C LEU A 81 2.848 -3.216 -5.646 1.00 0.00 C ATOM 1361 O LEU A 81 2.405 -4.122 -4.943 1.00 0.00 O ATOM 1362 CB LEU A 81 2.541 -0.765 -5.088 1.00 0.00 C ATOM 1363 CG LEU A 81 2.779 0.331 -4.041 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.956 1.565 -4.381 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.417 -0.196 -2.660 1.00 0.00 C ATOM 0 H LEU A 81 4.767 -0.795 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 81 3.666 -2.176 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.635 -0.324 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.515 -1.120 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 81 3.832 0.613 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.132 2.337 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.248 1.938 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.898 1.305 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.587 0.583 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.367 -0.489 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.038 -1.061 -2.426 1.00 0.00 H new ATOM 1377 N ASN A 82 2.885 -3.249 -6.998 1.00 0.00 N ATOM 1378 CA ASN A 82 2.307 -4.331 -7.833 1.00 0.00 C ATOM 1379 C ASN A 82 2.969 -5.685 -7.530 1.00 0.00 C ATOM 1380 O ASN A 82 2.289 -6.714 -7.447 1.00 0.00 O ATOM 1381 CB ASN A 82 2.422 -4.018 -9.313 1.00 0.00 C ATOM 1382 CG ASN A 82 1.458 -2.963 -9.785 1.00 0.00 C ATOM 1383 OD1 ASN A 82 0.465 -2.657 -9.115 1.00 0.00 O ATOM 1384 ND2 ASN A 82 1.701 -2.467 -10.970 1.00 0.00 N ATOM 0 H ASN A 82 3.325 -2.513 -7.550 1.00 0.00 H new ATOM 0 HA ASN A 82 1.249 -4.396 -7.578 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.439 -3.691 -9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.254 -4.932 -9.883 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.056 -1.794 -11.383 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.536 -2.753 -11.481 1.00 0.00 H new ATOM 1391 N LYS A 83 4.301 -5.649 -7.331 1.00 0.00 N ATOM 1392 CA LYS A 83 5.076 -6.826 -6.910 1.00 0.00 C ATOM 1393 C LYS A 83 4.691 -7.270 -5.486 1.00 0.00 C ATOM 1394 O LYS A 83 4.484 -8.460 -5.255 1.00 0.00 O ATOM 1395 CB LYS A 83 6.575 -6.532 -6.983 1.00 0.00 C ATOM 1396 CG LYS A 83 7.140 -6.486 -8.396 1.00 0.00 C ATOM 1397 CD LYS A 83 8.621 -6.143 -8.389 1.00 0.00 C ATOM 1398 CE LYS A 83 9.176 -6.056 -9.804 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.624 -5.709 -9.813 1.00 0.00 N ATOM 0 H LYS A 83 4.864 -4.808 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 83 4.841 -7.642 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.769 -5.576 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.110 -7.294 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.990 -7.451 -8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.596 -5.746 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.774 -5.193 -7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.169 -6.899 -7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.028 -7.010 -10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.620 -5.306 -10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.963 -5.660 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.763 -4.787 -9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.159 -6.438 -9.298 1.00 0.00 H new ATOM 1413 N VAL A 84 4.530 -6.297 -4.565 1.00 0.00 N ATOM 1414 CA VAL A 84 4.132 -6.560 -3.163 1.00 0.00 C ATOM 1415 C VAL A 84 2.736 -7.206 -3.114 1.00 0.00 C ATOM 1416 O VAL A 84 2.516 -8.201 -2.413 1.00 0.00 O ATOM 1417 CB VAL A 84 4.125 -5.273 -2.316 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.434 -5.516 -0.982 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.544 -4.771 -2.096 1.00 0.00 C ATOM 0 H VAL A 84 4.672 -5.308 -4.770 1.00 0.00 H new ATOM 0 HA VAL A 84 4.871 -7.242 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 84 3.569 -4.508 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.438 -4.596 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.405 -5.830 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.963 -6.296 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.519 -3.861 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.123 -5.534 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.008 -4.558 -3.059 1.00 0.00 H new ATOM 1429 N PHE A 85 1.816 -6.639 -3.909 1.00 0.00 N ATOM 1430 CA PHE A 85 0.417 -7.090 -3.974 1.00 0.00 C ATOM 1431 C PHE A 85 0.339 -8.542 -4.483 1.00 0.00 C ATOM 1432 O PHE A 85 -0.341 -9.366 -3.885 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.405 -6.165 -4.873 1.00 0.00 C ATOM 1434 CG PHE A 85 -0.539 -4.765 -4.343 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -0.412 -4.508 -2.986 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.792 -3.705 -5.200 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -0.537 -3.221 -2.498 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -0.916 -2.418 -4.714 1.00 0.00 C ATOM 1439 CZ PHE A 85 -0.787 -2.176 -3.361 1.00 0.00 C ATOM 0 H PHE A 85 2.021 -5.853 -4.526 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.001 -7.054 -2.968 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.058 -6.127 -5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.400 -6.591 -5.004 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.213 -5.322 -2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.893 -3.888 -6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.439 -3.034 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.114 -1.601 -5.392 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.882 -1.170 -2.980 1.00 0.00 H new ATOM 1449 N ALA A 86 1.086 -8.843 -5.559 1.00 0.00 N ATOM 1450 CA ALA A 86 1.165 -10.205 -6.136 1.00 0.00 C ATOM 1451 C ALA A 86 1.882 -11.196 -5.185 1.00 0.00 C ATOM 1452 O ALA A 86 1.542 -12.382 -5.146 1.00 0.00 O ATOM 1453 CB ALA A 86 1.876 -10.157 -7.493 1.00 0.00 C ATOM 0 H ALA A 86 1.652 -8.155 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 86 0.146 -10.568 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.930 -11.162 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.320 -9.511 -8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.884 -9.764 -7.362 1.00 0.00 H new ATOM 1459 N GLU A 87 2.870 -10.689 -4.420 1.00 0.00 N ATOM 1460 CA GLU A 87 3.658 -11.495 -3.455 1.00 0.00 C ATOM 1461 C GLU A 87 2.862 -11.738 -2.159 1.00 0.00 C ATOM 1462 O GLU A 87 3.172 -12.658 -1.398 1.00 0.00 O ATOM 1463 CB GLU A 87 4.986 -10.805 -3.131 1.00 0.00 C ATOM 1464 CG GLU A 87 6.018 -10.874 -4.247 1.00 0.00 C ATOM 1465 CD GLU A 87 7.224 -10.033 -3.930 1.00 0.00 C ATOM 1466 OE1 GLU A 87 7.256 -9.451 -2.872 1.00 0.00 O ATOM 1467 OE2 GLU A 87 8.161 -10.062 -4.692 1.00 0.00 O ATOM 0 H GLU A 87 3.147 -9.708 -4.451 1.00 0.00 H new ATOM 0 HA GLU A 87 3.866 -12.459 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.790 -9.758 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.408 -11.258 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.324 -11.909 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.570 -10.534 -5.181 1.00 0.00 H new ATOM 1474 N LEU A 88 1.817 -10.923 -1.925 1.00 0.00 N ATOM 1475 CA LEU A 88 0.944 -11.054 -0.737 1.00 0.00 C ATOM 1476 C LEU A 88 -0.336 -11.849 -1.079 1.00 0.00 C ATOM 1477 O LEU A 88 -1.091 -12.226 -0.175 1.00 0.00 O ATOM 1478 CB LEU A 88 0.583 -9.667 -0.189 1.00 0.00 C ATOM 1479 CG LEU A 88 1.737 -8.908 0.477 1.00 0.00 C ATOM 1480 CD1 LEU A 88 1.281 -7.512 0.880 1.00 0.00 C ATOM 1481 CD2 LEU A 88 2.225 -9.686 1.691 1.00 0.00 C ATOM 0 H LEU A 88 1.553 -10.159 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 88 1.489 -11.604 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.195 -9.060 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.223 -9.779 0.536 1.00 0.00 H new ATOM 0 HG LEU A 88 2.561 -8.807 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.108 -6.981 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.957 -6.965 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.451 -7.589 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.045 -9.146 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.407 -9.800 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.572 -10.670 1.377 1.00 0.00 H new ATOM 1493 N GLY A 89 -0.569 -12.105 -2.384 1.00 0.00 N ATOM 1494 CA GLY A 89 -1.688 -12.939 -2.853 1.00 0.00 C ATOM 1495 C GLY A 89 -2.916 -12.140 -3.302 1.00 0.00 C ATOM 1496 O GLY A 89 -4.051 -12.642 -3.247 1.00 0.00 O ATOM 0 H GLY A 89 0.013 -11.739 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.345 -13.555 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.982 -13.618 -2.053 1.00 0.00 H new ATOM 1500 N TYR A 90 -2.698 -10.891 -3.729 1.00 0.00 N ATOM 1501 CA TYR A 90 -3.752 -10.019 -4.289 1.00 0.00 C ATOM 1502 C TYR A 90 -3.740 -10.205 -5.813 1.00 0.00 C ATOM 1503 O TYR A 90 -2.658 -10.296 -6.413 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.505 -8.520 -3.934 1.00 0.00 C ATOM 1505 CG TYR A 90 -3.679 -8.156 -2.451 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -4.946 -8.023 -1.872 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -2.569 -7.966 -1.622 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.086 -7.711 -0.534 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -2.711 -7.658 -0.287 1.00 0.00 C ATOM 1510 CZ TYR A 90 -3.965 -7.536 0.252 1.00 0.00 C ATOM 1511 OH TYR A 90 -4.101 -7.249 1.588 1.00 0.00 O ATOM 0 H TYR A 90 -1.780 -10.448 -3.698 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.718 -10.293 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.493 -8.254 -4.240 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.187 -7.907 -4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.827 -8.166 -2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.577 -8.063 -2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.071 -7.604 -0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.838 -7.513 0.332 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.214 -7.158 1.995 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.929 -10.239 -6.427 1.00 0.00 N ATOM 1522 CA ASN A 91 -5.088 -10.423 -7.886 1.00 0.00 C ATOM 1523 C ASN A 91 -4.881 -9.071 -8.619 1.00 0.00 C ATOM 1524 O ASN A 91 -5.172 -8.009 -8.053 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.441 -11.015 -8.234 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.595 -12.454 -7.825 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.611 -13.187 -7.678 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -7.827 -12.882 -7.721 1.00 0.00 N ATOM 0 H ASN A 91 -5.814 -10.140 -5.930 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.328 -11.130 -8.218 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.221 -10.424 -7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.597 -10.934 -9.310 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.010 -13.863 -7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.604 -12.235 -7.852 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.376 -9.136 -9.870 1.00 0.00 N ATOM 1536 CA ASP A 92 -4.128 -7.950 -10.743 1.00 0.00 C ATOM 1537 C ASP A 92 -5.415 -7.127 -10.961 1.00 0.00 C ATOM 1538 O ASP A 92 -5.370 -5.899 -11.070 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.558 -8.386 -12.095 1.00 0.00 C ATOM 1540 CG ASP A 92 -2.111 -8.859 -12.045 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.473 -8.650 -11.041 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.704 -9.559 -12.941 1.00 0.00 O ATOM 0 H ASP A 92 -4.124 -10.019 -10.314 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.401 -7.318 -10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.177 -9.190 -12.494 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.631 -7.551 -12.792 1.00 0.00 H new ATOM 1547 N SER A 93 -6.547 -7.849 -11.039 1.00 0.00 N ATOM 1548 CA SER A 93 -7.898 -7.272 -11.169 1.00 0.00 C ATOM 1549 C SER A 93 -8.338 -6.545 -9.873 1.00 0.00 C ATOM 1550 O SER A 93 -8.915 -5.457 -9.940 1.00 0.00 O ATOM 1551 CB SER A 93 -8.890 -8.361 -11.527 1.00 0.00 C ATOM 1552 OG SER A 93 -8.649 -8.894 -12.800 1.00 0.00 O ATOM 0 H SER A 93 -6.549 -8.869 -11.013 1.00 0.00 H new ATOM 0 HA SER A 93 -7.872 -6.530 -11.967 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.837 -9.157 -10.785 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.901 -7.957 -11.489 1.00 0.00 H new ATOM 0 HG SER A 93 -9.308 -9.593 -12.992 1.00 0.00 H new ATOM 1558 N ASN A 94 -8.042 -7.167 -8.710 1.00 0.00 N ATOM 1559 CA ASN A 94 -8.378 -6.627 -7.361 1.00 0.00 C ATOM 1560 C ASN A 94 -7.622 -5.320 -7.060 1.00 0.00 C ATOM 1561 O ASN A 94 -7.965 -4.597 -6.123 1.00 0.00 O ATOM 1562 CB ASN A 94 -8.097 -7.643 -6.269 1.00 0.00 C ATOM 1563 CG ASN A 94 -9.090 -8.771 -6.222 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -10.205 -8.666 -6.747 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -8.723 -9.818 -5.526 1.00 0.00 N ATOM 0 H ASN A 94 -7.560 -8.065 -8.674 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.446 -6.411 -7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.099 -8.055 -6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.092 -7.135 -5.305 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.369 -10.596 -5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.791 -9.855 -5.113 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.578 -5.065 -7.849 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.738 -3.864 -7.747 1.00 0.00 C ATOM 1574 C VAL A 95 -6.112 -2.887 -8.879 1.00 0.00 C ATOM 1575 O VAL A 95 -6.013 -3.243 -10.054 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.237 -4.200 -7.826 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.402 -2.931 -7.742 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.848 -5.166 -6.717 1.00 0.00 C ATOM 0 H VAL A 95 -6.284 -5.698 -8.593 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.920 -3.407 -6.774 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.042 -4.679 -8.785 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.344 -3.187 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.661 -2.270 -8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.602 -2.426 -6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.784 -5.392 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.058 -4.712 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.422 -6.087 -6.818 1.00 0.00 H new ATOM 1588 N THR A 96 -6.582 -1.677 -8.517 1.00 0.00 N ATOM 1589 CA THR A 96 -6.988 -0.637 -9.480 1.00 0.00 C ATOM 1590 C THR A 96 -6.182 0.652 -9.234 1.00 0.00 C ATOM 1591 O THR A 96 -6.242 1.220 -8.145 1.00 0.00 O ATOM 1592 CB THR A 96 -8.493 -0.326 -9.387 1.00 0.00 C ATOM 1593 OG1 THR A 96 -9.248 -1.513 -9.662 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.876 0.757 -10.384 1.00 0.00 C ATOM 0 H THR A 96 -6.691 -1.393 -7.543 1.00 0.00 H new ATOM 0 HA THR A 96 -6.783 -1.019 -10.480 1.00 0.00 H new ATOM 0 HB THR A 96 -8.714 0.027 -8.380 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.205 -1.313 -9.601 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.943 0.964 -10.304 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.313 1.665 -10.169 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.646 0.419 -11.395 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.420 1.091 -10.248 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.600 2.311 -10.157 1.00 0.00 C ATOM 1604 C TRP A 97 -5.400 3.529 -10.657 1.00 0.00 C ATOM 1605 O TRP A 97 -6.037 3.473 -11.713 1.00 0.00 O ATOM 1606 CB TRP A 97 -3.288 2.138 -10.965 1.00 0.00 C ATOM 1607 CG TRP A 97 -2.174 1.470 -10.179 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.840 0.138 -10.159 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.256 2.123 -9.284 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.781 -0.066 -9.303 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.402 1.139 -8.763 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -1.080 3.450 -8.874 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.617 1.442 -7.858 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 -0.067 3.750 -7.978 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.767 2.748 -7.476 1.00 0.00 C ATOM 0 H TRP A 97 -5.354 0.615 -11.148 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.336 2.483 -9.114 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.496 1.548 -11.858 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.947 3.117 -11.302 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.334 -0.634 -10.730 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.347 -0.967 -9.102 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.725 4.229 -9.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.266 0.670 -7.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.080 4.773 -7.663 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.545 3.009 -6.773 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.384 4.613 -9.870 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.938 5.921 -10.268 1.00 0.00 C ATOM 1628 C ASP A 98 -4.936 7.005 -9.851 1.00 0.00 C ATOM 1629 O ASP A 98 -4.957 7.458 -8.698 1.00 0.00 O ATOM 1630 CB ASP A 98 -7.306 6.169 -9.628 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.975 7.466 -10.060 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -7.372 8.207 -10.801 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -9.138 7.634 -9.777 1.00 0.00 O ATOM 0 H ASP A 98 -4.984 4.610 -8.932 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.090 5.941 -11.347 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.965 5.336 -9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.191 6.177 -8.544 1.00 0.00 H new ATOM 1638 N GLY A 99 -4.037 7.371 -10.777 1.00 0.00 N ATOM 1639 CA GLY A 99 -3.027 8.403 -10.542 1.00 0.00 C ATOM 1640 C GLY A 99 -1.961 7.958 -9.547 1.00 0.00 C ATOM 1641 O GLY A 99 -1.373 6.885 -9.712 1.00 0.00 O ATOM 0 H GLY A 99 -3.993 6.957 -11.708 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.551 8.664 -11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.513 9.305 -10.170 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.759 8.772 -8.499 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.709 8.576 -7.468 1.00 0.00 C ATOM 1647 C ASP A 100 -1.243 7.685 -6.317 1.00 0.00 C ATOM 1648 O ASP A 100 -0.554 7.429 -5.325 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.228 9.922 -6.920 1.00 0.00 C ATOM 1650 CG ASP A 100 -1.290 10.707 -6.163 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -2.394 10.228 -6.060 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -0.952 11.699 -5.563 1.00 0.00 O ATOM 0 H ASP A 100 -2.328 9.603 -8.335 1.00 0.00 H new ATOM 0 HA ASP A 100 0.139 8.074 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.620 9.749 -6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.134 10.530 -7.749 1.00 0.00 H new ATOM 1657 N THR A 101 -2.480 7.214 -6.488 1.00 0.00 N ATOM 1658 CA THR A 101 -3.213 6.445 -5.472 1.00 0.00 C ATOM 1659 C THR A 101 -3.719 5.120 -6.073 1.00 0.00 C ATOM 1660 O THR A 101 -4.319 5.121 -7.148 1.00 0.00 O ATOM 1661 CB THR A 101 -4.405 7.239 -4.905 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.941 8.482 -4.363 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.106 6.443 -3.815 1.00 0.00 C ATOM 0 H THR A 101 -3.011 7.356 -7.347 1.00 0.00 H new ATOM 0 HA THR A 101 -2.521 6.241 -4.655 1.00 0.00 H new ATOM 0 HB THR A 101 -5.112 7.430 -5.712 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.515 9.009 -5.071 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.945 7.020 -3.426 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.472 5.503 -4.229 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.404 6.235 -3.008 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.476 3.996 -5.384 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.942 2.674 -5.830 1.00 0.00 C ATOM 1673 C VAL A 102 -4.959 2.101 -4.815 1.00 0.00 C ATOM 1674 O VAL A 102 -4.759 2.173 -3.594 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.774 1.685 -6.002 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.039 1.494 -4.684 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.278 0.350 -6.528 1.00 0.00 C ATOM 0 H VAL A 102 -2.955 3.976 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.420 2.804 -6.801 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.076 2.100 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.217 0.792 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.644 2.452 -4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.728 1.101 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.439 -0.336 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.996 -0.071 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.761 0.498 -7.494 1.00 0.00 H new ATOM 1687 N THR A 103 -6.058 1.566 -5.351 1.00 0.00 N ATOM 1688 CA THR A 103 -7.183 1.009 -4.603 1.00 0.00 C ATOM 1689 C THR A 103 -7.139 -0.525 -4.738 1.00 0.00 C ATOM 1690 O THR A 103 -7.155 -1.047 -5.847 1.00 0.00 O ATOM 1691 CB THR A 103 -8.537 1.544 -5.105 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.580 2.968 -4.947 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.682 0.917 -4.324 1.00 0.00 C ATOM 0 H THR A 103 -6.192 1.507 -6.360 1.00 0.00 H new ATOM 0 HA THR A 103 -7.092 1.310 -3.559 1.00 0.00 H new ATOM 0 HB THR A 103 -8.644 1.285 -6.158 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.441 3.307 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.631 1.307 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.660 -0.165 -4.452 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.577 1.159 -3.266 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.004 -1.228 -3.614 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.913 -2.702 -3.588 1.00 0.00 C ATOM 1703 C VAL A 104 -8.065 -3.236 -2.743 1.00 0.00 C ATOM 1704 O VAL A 104 -8.275 -2.767 -1.627 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.575 -3.202 -3.013 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.525 -4.723 -3.024 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.408 -2.627 -3.799 1.00 0.00 C ATOM 0 H VAL A 104 -6.954 -0.798 -2.690 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.972 -3.066 -4.614 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.496 -2.861 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.572 -5.059 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.340 -5.118 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.627 -5.083 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.471 -2.991 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.483 -2.938 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.432 -1.539 -3.742 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.820 -4.206 -3.276 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.925 -4.837 -2.534 1.00 0.00 C ATOM 1719 C GLU A 105 -9.602 -6.304 -2.269 1.00 0.00 C ATOM 1720 O GLU A 105 -9.030 -6.981 -3.123 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.244 -4.717 -3.303 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.680 -3.285 -3.580 1.00 0.00 C ATOM 1723 CD GLU A 105 -12.971 -3.248 -4.351 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.039 -3.860 -5.389 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.925 -2.703 -3.847 1.00 0.00 O ATOM 0 H GLU A 105 -8.687 -4.572 -4.219 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.040 -4.317 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.147 -5.245 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.028 -5.220 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.801 -2.750 -2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.903 -2.768 -4.143 1.00 0.00 H new ATOM 1732 N GLY A 106 -10.003 -6.792 -1.095 1.00 0.00 N ATOM 1733 CA GLY A 106 -9.745 -8.166 -0.688 1.00 0.00 C ATOM 1734 C GLY A 106 -10.789 -8.633 0.300 1.00 0.00 C ATOM 1735 O GLY A 106 -11.610 -7.835 0.758 1.00 0.00 O ATOM 0 H GLY A 106 -10.515 -6.244 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.747 -8.817 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.754 -8.238 -0.240 1.00 0.00 H new ATOM 1739 N GLN A 107 -10.787 -9.929 0.604 1.00 0.00 N ATOM 1740 CA GLN A 107 -11.727 -10.518 1.563 1.00 0.00 C ATOM 1741 C GLN A 107 -10.941 -11.024 2.778 1.00 0.00 C ATOM 1742 O GLN A 107 -9.833 -11.561 2.625 1.00 0.00 O ATOM 1743 CB GLN A 107 -12.520 -11.664 0.928 1.00 0.00 C ATOM 1744 CG GLN A 107 -13.590 -12.255 1.830 1.00 0.00 C ATOM 1745 CD GLN A 107 -14.555 -13.148 1.073 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -14.621 -13.112 -0.158 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -15.313 -13.954 1.809 1.00 0.00 N ATOM 0 H GLN A 107 -10.137 -10.601 0.196 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.443 -9.757 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.990 -11.303 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.827 -12.454 0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.115 -12.830 2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.145 -11.448 2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.224 -13.950 2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.983 -14.576 1.358 1.00 0.00 H new