USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot 180:sc= 0.941 USER MOD Set 1.2: A 101 SER OG : rot -101:sc= 0.542 USER MOD Single : A 49 GLN : amide:sc= 0.241 X(o=0.24,f=-0.045) USER MOD Single : A 51 MET CE :methyl 161:sc= -0.137 (180deg=-0.825) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.6) USER MOD Single : A 70 THR OG1 : rot 94:sc= 1.29 USER MOD Single : A 71 MET CE :methyl -127:sc= -0.0692 (180deg=-1.81) USER MOD Single : A 72 MET CE :methyl -165:sc= -0.0615 (180deg=-0.374) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -4.36! K(o=-4.4!,f=-1.1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-3.3!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 13.761 0.846 -3.272 1.00 0.00 N ATOM 29 CA LEU A 48 12.522 0.784 -2.524 1.00 0.00 C ATOM 30 C LEU A 48 12.406 1.930 -1.537 1.00 0.00 C ATOM 31 O LEU A 48 11.304 2.402 -1.281 1.00 0.00 O ATOM 32 CB LEU A 48 12.376 -0.564 -1.820 1.00 0.00 C ATOM 33 CG LEU A 48 11.952 -1.702 -2.738 1.00 0.00 C ATOM 34 CD1 LEU A 48 11.993 -3.025 -1.995 1.00 0.00 C ATOM 35 CD2 LEU A 48 10.556 -1.425 -3.281 1.00 0.00 C ATOM 0 HA LEU A 48 11.704 0.885 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.326 -0.823 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.644 -0.466 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 48 12.647 -1.768 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.687 -3.828 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.007 -3.213 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.314 -2.985 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.253 -2.240 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.852 -1.346 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.563 -0.490 -3.842 1.00 0.00 H new ATOM 47 N GLN A 49 13.530 2.399 -1.004 1.00 0.00 N ATOM 48 CA GLN A 49 13.507 3.546 -0.106 1.00 0.00 C ATOM 49 C GLN A 49 12.972 4.763 -0.841 1.00 0.00 C ATOM 50 O GLN A 49 12.273 5.591 -0.264 1.00 0.00 O ATOM 51 CB GLN A 49 14.896 3.855 0.447 1.00 0.00 C ATOM 52 CG GLN A 49 14.911 5.029 1.418 1.00 0.00 C ATOM 53 CD GLN A 49 14.106 4.757 2.677 1.00 0.00 C ATOM 54 OE1 GLN A 49 14.623 4.223 3.657 1.00 0.00 O ATOM 55 NE2 GLN A 49 12.836 5.130 2.662 1.00 0.00 N ATOM 0 H GLN A 49 14.456 2.008 -1.176 1.00 0.00 H new ATOM 0 HA GLN A 49 12.855 3.300 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.284 2.970 0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.570 4.070 -0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 49 15.941 5.256 1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.512 5.913 0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.444 5.570 1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.250 4.977 3.483 1.00 0.00 H new ATOM 64 N ASP A 50 13.297 4.849 -2.124 1.00 0.00 N ATOM 65 CA ASP A 50 12.832 5.942 -2.965 1.00 0.00 C ATOM 66 C ASP A 50 11.313 5.963 -3.023 1.00 0.00 C ATOM 67 O ASP A 50 10.686 6.980 -2.721 1.00 0.00 O ATOM 68 CB ASP A 50 13.414 5.806 -4.373 1.00 0.00 C ATOM 69 CG ASP A 50 12.856 6.828 -5.341 1.00 0.00 C ATOM 70 OD1 ASP A 50 13.421 7.938 -5.433 1.00 0.00 O ATOM 71 OD2 ASP A 50 11.837 6.530 -6.003 1.00 0.00 O ATOM 0 H ASP A 50 13.885 4.170 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 50 13.173 6.882 -2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.498 5.912 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.208 4.805 -4.751 1.00 0.00 H new ATOM 76 N MET A 51 10.725 4.824 -3.380 1.00 0.00 N ATOM 77 CA MET A 51 9.275 4.706 -3.459 1.00 0.00 C ATOM 78 C MET A 51 8.658 4.838 -2.070 1.00 0.00 C ATOM 79 O MET A 51 7.632 5.490 -1.901 1.00 0.00 O ATOM 80 CB MET A 51 8.883 3.365 -4.092 1.00 0.00 C ATOM 81 CG MET A 51 7.386 3.207 -4.332 1.00 0.00 C ATOM 82 SD MET A 51 6.735 4.405 -5.515 1.00 0.00 S ATOM 83 CE MET A 51 7.728 4.032 -6.962 1.00 0.00 C ATOM 0 H MET A 51 11.231 3.971 -3.619 1.00 0.00 H new ATOM 0 HA MET A 51 8.893 5.511 -4.087 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.406 3.257 -5.042 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.224 2.556 -3.446 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.186 2.199 -4.695 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.858 3.315 -3.385 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.239 4.430 -7.851 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.713 4.487 -6.855 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.837 2.952 -7.060 1.00 0.00 H new ATOM 93 N ILE A 52 9.309 4.242 -1.072 1.00 0.00 N ATOM 94 CA ILE A 52 8.829 4.317 0.305 1.00 0.00 C ATOM 95 C ILE A 52 8.761 5.773 0.759 1.00 0.00 C ATOM 96 O ILE A 52 7.770 6.212 1.333 1.00 0.00 O ATOM 97 CB ILE A 52 9.739 3.532 1.291 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.559 2.024 1.114 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.446 3.925 2.733 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.473 1.188 1.983 1.00 0.00 C ATOM 0 H ILE A 52 10.167 3.704 -1.192 1.00 0.00 H new ATOM 0 HA ILE A 52 7.838 3.864 0.318 1.00 0.00 H new ATOM 0 HB ILE A 52 10.773 3.790 1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.524 1.763 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.734 1.768 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.096 3.362 3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.628 4.992 2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.405 3.703 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.284 0.131 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.512 1.417 1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.283 1.413 3.033 1.00 0.00 H new ATOM 112 N ASN A 53 9.821 6.515 0.459 1.00 0.00 N ATOM 113 CA ASN A 53 9.970 7.891 0.922 1.00 0.00 C ATOM 114 C ASN A 53 9.051 8.841 0.155 1.00 0.00 C ATOM 115 O ASN A 53 8.679 9.901 0.662 1.00 0.00 O ATOM 116 CB ASN A 53 11.442 8.315 0.801 1.00 0.00 C ATOM 117 CG ASN A 53 11.674 9.790 1.058 1.00 0.00 C ATOM 118 OD1 ASN A 53 11.773 10.228 2.203 1.00 0.00 O ATOM 119 ND2 ASN A 53 11.814 10.552 -0.010 1.00 0.00 N ATOM 0 H ASN A 53 10.599 6.182 -0.110 1.00 0.00 H new ATOM 0 HA ASN A 53 9.673 7.944 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.037 7.734 1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.801 8.068 -0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.013 11.547 0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.724 10.146 -0.941 1.00 0.00 H new ATOM 126 N GLU A 54 8.675 8.459 -1.059 1.00 0.00 N ATOM 127 CA GLU A 54 7.754 9.264 -1.852 1.00 0.00 C ATOM 128 C GLU A 54 6.314 9.000 -1.427 1.00 0.00 C ATOM 129 O GLU A 54 5.497 9.921 -1.341 1.00 0.00 O ATOM 130 CB GLU A 54 7.930 8.973 -3.345 1.00 0.00 C ATOM 131 CG GLU A 54 6.944 9.718 -4.231 1.00 0.00 C ATOM 132 CD GLU A 54 7.253 9.576 -5.705 1.00 0.00 C ATOM 133 OE1 GLU A 54 7.271 8.436 -6.213 1.00 0.00 O ATOM 134 OE2 GLU A 54 7.470 10.611 -6.370 1.00 0.00 O ATOM 0 H GLU A 54 8.991 7.602 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 54 7.981 10.316 -1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.945 9.239 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.819 7.902 -3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.938 9.346 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.950 10.775 -3.964 1.00 0.00 H new ATOM 141 N VAL A 55 6.022 7.742 -1.133 1.00 0.00 N ATOM 142 CA VAL A 55 4.681 7.338 -0.738 1.00 0.00 C ATOM 143 C VAL A 55 4.403 7.725 0.714 1.00 0.00 C ATOM 144 O VAL A 55 3.259 7.998 1.087 1.00 0.00 O ATOM 145 CB VAL A 55 4.495 5.814 -0.934 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.176 5.339 -0.356 1.00 0.00 C ATOM 147 CG2 VAL A 55 4.578 5.459 -2.411 1.00 0.00 C ATOM 0 H VAL A 55 6.699 6.980 -1.161 1.00 0.00 H new ATOM 0 HA VAL A 55 3.967 7.861 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 55 5.298 5.308 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.077 4.265 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.147 5.556 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.354 5.854 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.446 4.384 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.795 5.986 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.553 5.752 -2.801 1.00 0.00 H new ATOM 157 N ASP A 56 5.455 7.746 1.525 1.00 0.00 N ATOM 158 CA ASP A 56 5.370 8.238 2.899 1.00 0.00 C ATOM 159 C ASP A 56 4.821 9.661 2.915 1.00 0.00 C ATOM 160 O ASP A 56 5.500 10.609 2.513 1.00 0.00 O ATOM 161 CB ASP A 56 6.748 8.195 3.561 1.00 0.00 C ATOM 162 CG ASP A 56 6.700 8.575 5.024 1.00 0.00 C ATOM 163 OD1 ASP A 56 6.421 7.693 5.863 1.00 0.00 O ATOM 164 OD2 ASP A 56 6.925 9.760 5.338 1.00 0.00 O ATOM 0 H ASP A 56 6.385 7.426 1.253 1.00 0.00 H new ATOM 0 HA ASP A 56 4.692 7.595 3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.163 7.192 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.421 8.872 3.035 1.00 0.00 H new ATOM 169 N ALA A 57 3.579 9.795 3.358 1.00 0.00 N ATOM 170 CA ALA A 57 2.888 11.077 3.314 1.00 0.00 C ATOM 171 C ALA A 57 2.954 11.806 4.651 1.00 0.00 C ATOM 172 O ALA A 57 3.257 12.997 4.704 1.00 0.00 O ATOM 173 CB ALA A 57 1.444 10.887 2.882 1.00 0.00 C ATOM 0 H ALA A 57 3.029 9.032 3.752 1.00 0.00 H new ATOM 0 HA ALA A 57 3.399 11.699 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.942 11.854 2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.417 10.436 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.935 10.234 3.591 1.00 0.00 H new ATOM 179 N ASP A 58 2.683 11.087 5.731 1.00 0.00 N ATOM 180 CA ASP A 58 2.637 11.711 7.052 1.00 0.00 C ATOM 181 C ASP A 58 3.655 11.086 7.994 1.00 0.00 C ATOM 182 O ASP A 58 3.809 11.524 9.134 1.00 0.00 O ATOM 183 CB ASP A 58 1.225 11.661 7.669 1.00 0.00 C ATOM 184 CG ASP A 58 0.710 10.254 7.888 1.00 0.00 C ATOM 185 OD1 ASP A 58 1.388 9.430 8.512 1.00 0.00 O ATOM 186 OD2 ASP A 58 -0.388 9.922 7.420 1.00 0.00 O ATOM 0 H ASP A 58 2.494 10.085 5.724 1.00 0.00 H new ATOM 0 HA ASP A 58 2.897 12.760 6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.235 12.188 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.533 12.195 7.017 1.00 0.00 H new ATOM 191 N GLY A 59 4.357 10.067 7.522 1.00 0.00 N ATOM 192 CA GLY A 59 5.343 9.418 8.363 1.00 0.00 C ATOM 193 C GLY A 59 4.875 8.064 8.853 1.00 0.00 C ATOM 194 O GLY A 59 4.409 7.908 9.981 1.00 0.00 O ATOM 0 H GLY A 59 4.264 9.681 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.272 9.299 7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.564 10.056 9.219 1.00 0.00 H new ATOM 198 N ASN A 60 4.984 7.096 7.962 1.00 0.00 N ATOM 199 CA ASN A 60 4.621 5.714 8.272 1.00 0.00 C ATOM 200 C ASN A 60 5.764 4.767 7.916 1.00 0.00 C ATOM 201 O ASN A 60 5.883 3.681 8.478 1.00 0.00 O ATOM 202 CB ASN A 60 3.388 5.275 7.476 1.00 0.00 C ATOM 203 CG ASN A 60 2.063 5.751 8.034 1.00 0.00 C ATOM 204 OD1 ASN A 60 1.692 6.912 7.873 1.00 0.00 O ATOM 205 ND2 ASN A 60 1.309 4.845 8.636 1.00 0.00 N ATOM 0 H ASN A 60 5.323 7.237 7.010 1.00 0.00 H new ATOM 0 HA ASN A 60 4.408 5.672 9.340 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.486 5.639 6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.374 4.186 7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.385 5.101 8.985 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.652 3.891 8.751 1.00 0.00 H new ATOM 212 N GLY A 61 6.612 5.200 6.972 1.00 0.00 N ATOM 213 CA GLY A 61 7.598 4.304 6.386 1.00 0.00 C ATOM 214 C GLY A 61 6.895 3.302 5.483 1.00 0.00 C ATOM 215 O GLY A 61 7.499 2.389 4.915 1.00 0.00 O ATOM 0 H GLY A 61 6.630 6.152 6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.330 4.875 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.144 3.782 7.172 1.00 0.00 H new ATOM 219 N THR A 62 5.598 3.535 5.362 1.00 0.00 N ATOM 220 CA THR A 62 4.651 2.636 4.747 1.00 0.00 C ATOM 221 C THR A 62 3.434 3.460 4.317 1.00 0.00 C ATOM 222 O THR A 62 3.341 4.638 4.658 1.00 0.00 O ATOM 223 CB THR A 62 4.242 1.560 5.789 1.00 0.00 C ATOM 224 OG1 THR A 62 5.394 0.820 6.218 1.00 0.00 O ATOM 225 CG2 THR A 62 3.214 0.596 5.246 1.00 0.00 C ATOM 0 H THR A 62 5.165 4.392 5.705 1.00 0.00 H new ATOM 0 HA THR A 62 5.079 2.138 3.877 1.00 0.00 H new ATOM 0 HB THR A 62 3.798 2.091 6.631 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.123 0.146 6.876 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.961 -0.136 6.013 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.317 1.144 4.958 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.621 0.083 4.374 1.00 0.00 H new ATOM 233 N ILE A 63 2.532 2.883 3.546 1.00 0.00 N ATOM 234 CA ILE A 63 1.280 3.547 3.249 1.00 0.00 C ATOM 235 C ILE A 63 0.242 3.154 4.301 1.00 0.00 C ATOM 236 O ILE A 63 0.247 2.025 4.800 1.00 0.00 O ATOM 237 CB ILE A 63 0.775 3.209 1.821 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.235 4.469 1.151 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.298 2.126 1.851 1.00 0.00 C ATOM 240 CD1 ILE A 63 -0.041 4.296 -0.325 1.00 0.00 C ATOM 0 H ILE A 63 2.642 1.964 3.118 1.00 0.00 H new ATOM 0 HA ILE A 63 1.441 4.625 3.280 1.00 0.00 H new ATOM 0 HB ILE A 63 1.617 2.826 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.685 4.771 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.952 5.279 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.629 1.914 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.112 1.219 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.145 2.470 2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.422 5.231 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.881 4.024 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.781 3.509 -0.467 1.00 0.00 H new ATOM 252 N ASP A 64 -0.625 4.089 4.653 1.00 0.00 N ATOM 253 CA ASP A 64 -1.676 3.829 5.625 1.00 0.00 C ATOM 254 C ASP A 64 -2.988 3.860 4.865 1.00 0.00 C ATOM 255 O ASP A 64 -2.989 4.243 3.697 1.00 0.00 O ATOM 256 CB ASP A 64 -1.676 4.899 6.717 1.00 0.00 C ATOM 257 CG ASP A 64 -2.278 4.444 8.033 1.00 0.00 C ATOM 258 OD1 ASP A 64 -3.321 3.760 8.022 1.00 0.00 O ATOM 259 OD2 ASP A 64 -1.713 4.802 9.092 1.00 0.00 O ATOM 0 H ASP A 64 -0.622 5.038 4.279 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.523 2.866 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.650 5.223 6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.228 5.768 6.359 1.00 0.00 H new ATOM 264 N PHE A 65 -4.087 3.476 5.485 1.00 0.00 N ATOM 265 CA PHE A 65 -5.380 3.507 4.808 1.00 0.00 C ATOM 266 C PHE A 65 -5.689 4.889 4.221 1.00 0.00 C ATOM 267 O PHE A 65 -5.971 4.994 3.024 1.00 0.00 O ATOM 268 CB PHE A 65 -6.495 3.038 5.743 1.00 0.00 C ATOM 269 CG PHE A 65 -6.413 1.570 6.038 1.00 0.00 C ATOM 270 CD1 PHE A 65 -6.936 0.634 5.159 1.00 0.00 C ATOM 271 CD2 PHE A 65 -5.826 1.131 7.210 1.00 0.00 C ATOM 272 CE1 PHE A 65 -6.871 -0.716 5.448 1.00 0.00 C ATOM 273 CE2 PHE A 65 -5.758 -0.213 7.504 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.240 -1.154 6.545 1.00 0.00 C ATOM 0 H PHE A 65 -4.117 3.141 6.448 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.325 2.813 3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.442 3.597 6.677 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.462 3.262 5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.398 0.963 4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.416 1.850 7.903 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.335 -1.427 4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.347 -0.549 8.444 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.097 -2.213 6.703 1.00 0.00 H new ATOM 284 N PRO A 66 -5.618 5.974 5.026 1.00 0.00 N ATOM 285 CA PRO A 66 -5.823 7.335 4.518 1.00 0.00 C ATOM 286 C PRO A 66 -4.842 7.689 3.401 1.00 0.00 C ATOM 287 O PRO A 66 -5.228 8.267 2.387 1.00 0.00 O ATOM 288 CB PRO A 66 -5.586 8.233 5.743 1.00 0.00 C ATOM 289 CG PRO A 66 -4.879 7.371 6.732 1.00 0.00 C ATOM 290 CD PRO A 66 -5.363 5.975 6.479 1.00 0.00 C ATOM 0 HA PRO A 66 -6.815 7.454 4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.986 9.105 5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.528 8.604 6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.798 7.439 6.607 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.102 7.683 7.752 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.617 5.232 6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.265 5.751 7.048 1.00 0.00 H new ATOM 298 N GLU A 67 -3.575 7.322 3.572 1.00 0.00 N ATOM 299 CA GLU A 67 -2.547 7.671 2.594 1.00 0.00 C ATOM 300 C GLU A 67 -2.703 6.885 1.291 1.00 0.00 C ATOM 301 O GLU A 67 -2.552 7.450 0.209 1.00 0.00 O ATOM 302 CB GLU A 67 -1.159 7.469 3.197 1.00 0.00 C ATOM 303 CG GLU A 67 -0.767 8.595 4.136 1.00 0.00 C ATOM 304 CD GLU A 67 0.112 8.142 5.276 1.00 0.00 C ATOM 305 OE1 GLU A 67 -0.392 7.439 6.164 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.285 8.541 5.351 1.00 0.00 O ATOM 0 H GLU A 67 -3.236 6.787 4.372 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.670 8.724 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.135 6.523 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.424 7.396 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.246 9.367 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.670 9.052 4.542 1.00 0.00 H new ATOM 313 N PHE A 68 -3.015 5.598 1.397 1.00 0.00 N ATOM 314 CA PHE A 68 -3.213 4.757 0.218 1.00 0.00 C ATOM 315 C PHE A 68 -4.329 5.319 -0.646 1.00 0.00 C ATOM 316 O PHE A 68 -4.178 5.473 -1.860 1.00 0.00 O ATOM 317 CB PHE A 68 -3.545 3.321 0.634 1.00 0.00 C ATOM 318 CG PHE A 68 -3.604 2.343 -0.512 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.455 1.705 -0.955 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.804 2.058 -1.139 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.501 0.803 -2.000 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.859 1.157 -2.186 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.706 0.529 -2.617 1.00 0.00 C ATOM 0 H PHE A 68 -3.137 5.113 2.286 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.288 4.748 -0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.797 2.980 1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.505 3.317 1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.511 1.917 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.709 2.545 -0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.598 0.314 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.802 0.944 -2.667 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.747 -0.175 -3.435 1.00 0.00 H new ATOM 333 N LEU A 69 -5.437 5.651 -0.004 1.00 0.00 N ATOM 334 CA LEU A 69 -6.587 6.178 -0.708 1.00 0.00 C ATOM 335 C LEU A 69 -6.321 7.559 -1.269 1.00 0.00 C ATOM 336 O LEU A 69 -6.765 7.886 -2.369 1.00 0.00 O ATOM 337 CB LEU A 69 -7.810 6.200 0.204 1.00 0.00 C ATOM 338 CG LEU A 69 -8.543 4.872 0.276 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.829 4.999 1.076 1.00 0.00 C ATOM 340 CD2 LEU A 69 -8.816 4.391 -1.135 1.00 0.00 C ATOM 0 H LEU A 69 -5.561 5.564 1.005 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.786 5.515 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.498 6.487 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.500 6.967 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.922 4.140 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.333 4.033 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.596 5.324 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.482 5.732 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.342 3.437 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.430 5.125 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.872 4.264 -1.665 1.00 0.00 H new ATOM 352 N THR A 70 -5.582 8.362 -0.528 1.00 0.00 N ATOM 353 CA THR A 70 -5.323 9.719 -0.951 1.00 0.00 C ATOM 354 C THR A 70 -4.304 9.762 -2.094 1.00 0.00 C ATOM 355 O THR A 70 -4.477 10.503 -3.048 1.00 0.00 O ATOM 356 CB THR A 70 -4.842 10.591 0.226 1.00 0.00 C ATOM 357 OG1 THR A 70 -5.835 10.597 1.260 1.00 0.00 O ATOM 358 CG2 THR A 70 -4.566 12.021 -0.220 1.00 0.00 C ATOM 0 H THR A 70 -5.155 8.099 0.361 1.00 0.00 H new ATOM 0 HA THR A 70 -6.265 10.127 -1.317 1.00 0.00 H new ATOM 0 HB THR A 70 -3.913 10.165 0.604 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.631 9.896 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.229 12.610 0.633 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.793 12.020 -0.988 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.479 12.459 -0.624 1.00 0.00 H new ATOM 366 N MET A 71 -3.240 8.974 -1.985 1.00 0.00 N ATOM 367 CA MET A 71 -2.255 8.854 -3.063 1.00 0.00 C ATOM 368 C MET A 71 -2.906 8.354 -4.349 1.00 0.00 C ATOM 369 O MET A 71 -2.503 8.733 -5.449 1.00 0.00 O ATOM 370 CB MET A 71 -1.113 7.912 -2.669 1.00 0.00 C ATOM 371 CG MET A 71 -0.136 8.503 -1.663 1.00 0.00 C ATOM 372 SD MET A 71 0.710 9.968 -2.292 1.00 0.00 S ATOM 373 CE MET A 71 1.929 10.226 -1.004 1.00 0.00 C ATOM 0 H MET A 71 -3.034 8.407 -1.162 1.00 0.00 H new ATOM 0 HA MET A 71 -1.846 9.849 -3.236 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.538 6.999 -2.253 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.565 7.628 -3.567 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.673 8.762 -0.750 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.604 7.749 -1.394 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.863 11.252 -0.641 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.740 9.537 -0.181 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.926 10.047 -1.406 1.00 0.00 H new ATOM 383 N MET A 72 -3.897 7.486 -4.204 1.00 0.00 N ATOM 384 CA MET A 72 -4.661 7.027 -5.354 1.00 0.00 C ATOM 385 C MET A 72 -5.522 8.166 -5.895 1.00 0.00 C ATOM 386 O MET A 72 -5.261 8.684 -6.983 1.00 0.00 O ATOM 387 CB MET A 72 -5.544 5.829 -4.989 1.00 0.00 C ATOM 388 CG MET A 72 -6.329 5.276 -6.170 1.00 0.00 C ATOM 389 SD MET A 72 -7.436 3.929 -5.710 1.00 0.00 S ATOM 390 CE MET A 72 -6.259 2.677 -5.207 1.00 0.00 C ATOM 0 H MET A 72 -4.188 7.089 -3.311 1.00 0.00 H new ATOM 0 HA MET A 72 -3.959 6.708 -6.124 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.918 5.038 -4.576 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.241 6.126 -4.206 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.911 6.080 -6.621 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.632 4.923 -6.930 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.758 1.710 -5.150 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.449 2.625 -5.935 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.852 2.933 -4.229 1.00 0.00 H new ATOM 400 N ALA A 73 -6.534 8.565 -5.113 1.00 0.00 N ATOM 401 CA ALA A 73 -7.442 9.658 -5.473 1.00 0.00 C ATOM 402 C ALA A 73 -6.716 10.956 -5.800 1.00 0.00 C ATOM 403 O ALA A 73 -7.325 11.877 -6.350 1.00 0.00 O ATOM 404 CB ALA A 73 -8.440 9.890 -4.347 1.00 0.00 C ATOM 0 H ALA A 73 -6.745 8.137 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.961 9.353 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.113 10.703 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.018 8.981 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.905 10.152 -3.434 1.00 0.00 H new ATOM 410 N ARG A 74 -5.441 11.032 -5.420 1.00 0.00 N ATOM 411 CA ARG A 74 -4.582 12.162 -5.749 1.00 0.00 C ATOM 412 C ARG A 74 -4.834 12.626 -7.182 1.00 0.00 C ATOM 413 O ARG A 74 -5.003 13.818 -7.447 1.00 0.00 O ATOM 414 CB ARG A 74 -3.112 11.771 -5.576 1.00 0.00 C ATOM 415 CG ARG A 74 -2.125 12.871 -5.925 1.00 0.00 C ATOM 416 CD ARG A 74 -0.691 12.383 -5.787 1.00 0.00 C ATOM 417 NE ARG A 74 -0.407 11.255 -6.678 1.00 0.00 N ATOM 418 CZ ARG A 74 0.759 10.602 -6.717 1.00 0.00 C ATOM 419 NH1 ARG A 74 1.746 10.937 -5.897 1.00 0.00 N ATOM 420 NH2 ARG A 74 0.938 9.604 -7.573 1.00 0.00 N ATOM 0 H ARG A 74 -4.976 10.307 -4.873 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.814 12.984 -5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.949 11.468 -4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.904 10.902 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.300 13.211 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.285 13.729 -5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.006 13.202 -6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.507 12.085 -4.755 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.147 10.948 -7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.619 11.698 -5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.632 10.434 -5.933 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.184 9.332 -8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.829 9.108 -7.599 1.00 0.00 H new ATOM 544 N GLU A 82 -14.022 0.172 0.405 1.00 0.00 N ATOM 545 CA GLU A 82 -12.928 0.457 1.324 1.00 0.00 C ATOM 546 C GLU A 82 -12.541 -0.793 2.108 1.00 0.00 C ATOM 547 O GLU A 82 -11.376 -0.981 2.452 1.00 0.00 O ATOM 548 CB GLU A 82 -13.295 1.583 2.293 1.00 0.00 C ATOM 549 CG GLU A 82 -12.114 2.064 3.125 1.00 0.00 C ATOM 550 CD GLU A 82 -12.506 3.055 4.196 1.00 0.00 C ATOM 551 OE1 GLU A 82 -12.706 4.245 3.873 1.00 0.00 O ATOM 552 OE2 GLU A 82 -12.611 2.648 5.373 1.00 0.00 O ATOM 0 HA GLU A 82 -12.075 0.780 0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.700 2.423 1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.085 1.237 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.633 1.205 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.377 2.523 2.466 1.00 0.00 H new ATOM 559 N GLU A 83 -13.518 -1.649 2.392 1.00 0.00 N ATOM 560 CA GLU A 83 -13.252 -2.904 3.079 1.00 0.00 C ATOM 561 C GLU A 83 -12.372 -3.811 2.223 1.00 0.00 C ATOM 562 O GLU A 83 -11.486 -4.500 2.734 1.00 0.00 O ATOM 563 CB GLU A 83 -14.566 -3.605 3.413 1.00 0.00 C ATOM 564 CG GLU A 83 -15.498 -2.762 4.268 1.00 0.00 C ATOM 565 CD GLU A 83 -16.767 -3.495 4.645 1.00 0.00 C ATOM 566 OE1 GLU A 83 -16.723 -4.343 5.562 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.813 -3.234 4.016 1.00 0.00 O ATOM 0 H GLU A 83 -14.498 -1.495 2.157 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.720 -2.687 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.075 -3.869 2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.350 -4.537 3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.976 -2.457 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.756 -1.851 3.728 1.00 0.00 H new ATOM 574 N GLU A 84 -12.617 -3.794 0.918 1.00 0.00 N ATOM 575 CA GLU A 84 -11.793 -4.539 -0.032 1.00 0.00 C ATOM 576 C GLU A 84 -10.379 -3.968 -0.042 1.00 0.00 C ATOM 577 O GLU A 84 -9.401 -4.694 -0.196 1.00 0.00 O ATOM 578 CB GLU A 84 -12.397 -4.458 -1.436 1.00 0.00 C ATOM 579 CG GLU A 84 -13.872 -4.821 -1.490 1.00 0.00 C ATOM 580 CD GLU A 84 -14.149 -6.229 -1.013 1.00 0.00 C ATOM 581 OE1 GLU A 84 -13.847 -7.185 -1.757 1.00 0.00 O ATOM 582 OE2 GLU A 84 -14.647 -6.387 0.119 1.00 0.00 O ATOM 0 H GLU A 84 -13.382 -3.271 0.491 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.758 -5.585 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.267 -3.446 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.844 -5.124 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.437 -4.118 -0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.231 -4.712 -2.514 1.00 0.00 H new ATOM 589 N ILE A 85 -10.297 -2.654 0.137 1.00 0.00 N ATOM 590 CA ILE A 85 -9.016 -1.963 0.226 1.00 0.00 C ATOM 591 C ILE A 85 -8.231 -2.441 1.445 1.00 0.00 C ATOM 592 O ILE A 85 -7.018 -2.622 1.382 1.00 0.00 O ATOM 593 CB ILE A 85 -9.194 -0.427 0.280 1.00 0.00 C ATOM 594 CG1 ILE A 85 -9.868 0.061 -1.001 1.00 0.00 C ATOM 595 CG2 ILE A 85 -7.855 0.279 0.471 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.113 -0.332 -2.252 1.00 0.00 C ATOM 0 H ILE A 85 -11.109 -2.043 0.224 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.455 -2.204 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.825 -0.186 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.879 -0.344 -1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.961 1.146 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.014 1.357 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.400 -0.050 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.193 0.036 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.641 0.043 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.111 0.096 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.042 -1.418 -2.308 1.00 0.00 H new ATOM 608 N ARG A 86 -8.935 -2.680 2.543 1.00 0.00 N ATOM 609 CA ARG A 86 -8.309 -3.181 3.764 1.00 0.00 C ATOM 610 C ARG A 86 -7.756 -4.585 3.530 1.00 0.00 C ATOM 611 O ARG A 86 -6.642 -4.926 3.950 1.00 0.00 O ATOM 612 CB ARG A 86 -9.324 -3.181 4.911 1.00 0.00 C ATOM 613 CG ARG A 86 -9.980 -1.825 5.125 1.00 0.00 C ATOM 614 CD ARG A 86 -10.959 -1.832 6.286 1.00 0.00 C ATOM 615 NE ARG A 86 -11.659 -0.552 6.400 1.00 0.00 N ATOM 616 CZ ARG A 86 -12.210 -0.088 7.522 1.00 0.00 C ATOM 617 NH1 ARG A 86 -12.123 -0.774 8.654 1.00 0.00 N ATOM 618 NH2 ARG A 86 -12.828 1.080 7.513 1.00 0.00 N ATOM 0 H ARG A 86 -9.942 -2.535 2.616 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.481 -2.526 4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.095 -3.923 4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.825 -3.486 5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.209 -1.076 5.308 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.502 -1.529 4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.684 -2.634 6.148 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.425 -2.041 7.213 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.730 0.026 5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.630 -1.667 8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.549 -0.408 9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.882 1.622 6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.251 1.440 8.369 1.00 0.00 H new ATOM 632 N GLU A 87 -8.524 -5.384 2.810 1.00 0.00 N ATOM 633 CA GLU A 87 -8.095 -6.718 2.450 1.00 0.00 C ATOM 634 C GLU A 87 -6.932 -6.633 1.463 1.00 0.00 C ATOM 635 O GLU A 87 -6.034 -7.472 1.464 1.00 0.00 O ATOM 636 CB GLU A 87 -9.259 -7.501 1.850 1.00 0.00 C ATOM 637 CG GLU A 87 -8.937 -8.958 1.579 1.00 0.00 C ATOM 638 CD GLU A 87 -10.151 -9.739 1.135 1.00 0.00 C ATOM 639 OE1 GLU A 87 -10.435 -9.756 -0.079 1.00 0.00 O ATOM 640 OE2 GLU A 87 -10.830 -10.328 2.000 1.00 0.00 O ATOM 0 H GLU A 87 -9.449 -5.129 2.464 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.758 -7.243 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.110 -7.446 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.563 -7.026 0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.166 -9.021 0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.526 -9.411 2.481 1.00 0.00 H new ATOM 647 N ALA A 88 -6.940 -5.585 0.645 1.00 0.00 N ATOM 648 CA ALA A 88 -5.851 -5.329 -0.281 1.00 0.00 C ATOM 649 C ALA A 88 -4.583 -4.979 0.486 1.00 0.00 C ATOM 650 O ALA A 88 -3.494 -5.364 0.090 1.00 0.00 O ATOM 651 CB ALA A 88 -6.218 -4.217 -1.255 1.00 0.00 C ATOM 0 H ALA A 88 -7.694 -4.899 0.608 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.668 -6.234 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.387 -4.043 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.101 -4.508 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.429 -3.303 -0.701 1.00 0.00 H new ATOM 657 N PHE A 89 -4.736 -4.254 1.593 1.00 0.00 N ATOM 658 CA PHE A 89 -3.620 -3.981 2.499 1.00 0.00 C ATOM 659 C PHE A 89 -2.989 -5.274 2.988 1.00 0.00 C ATOM 660 O PHE A 89 -1.780 -5.346 3.197 1.00 0.00 O ATOM 661 CB PHE A 89 -4.077 -3.153 3.698 1.00 0.00 C ATOM 662 CG PHE A 89 -3.969 -1.675 3.481 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.796 -1.027 2.583 1.00 0.00 C ATOM 664 CD2 PHE A 89 -3.033 -0.934 4.183 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.693 0.332 2.384 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.925 0.427 3.990 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.758 1.059 3.088 1.00 0.00 C ATOM 0 H PHE A 89 -5.623 -3.844 1.885 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.878 -3.412 1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.112 -3.403 3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.481 -3.429 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.532 -1.593 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.381 -1.427 4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.344 0.827 1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.192 0.996 4.542 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.676 2.125 2.934 1.00 0.00 H new ATOM 677 N ARG A 90 -3.814 -6.291 3.181 1.00 0.00 N ATOM 678 CA ARG A 90 -3.306 -7.596 3.592 1.00 0.00 C ATOM 679 C ARG A 90 -2.622 -8.317 2.427 1.00 0.00 C ATOM 680 O ARG A 90 -1.686 -9.086 2.631 1.00 0.00 O ATOM 681 CB ARG A 90 -4.429 -8.466 4.152 1.00 0.00 C ATOM 682 CG ARG A 90 -5.231 -7.793 5.251 1.00 0.00 C ATOM 683 CD ARG A 90 -6.019 -8.801 6.066 1.00 0.00 C ATOM 684 NE ARG A 90 -5.155 -9.553 6.973 1.00 0.00 N ATOM 685 CZ ARG A 90 -5.143 -9.383 8.294 1.00 0.00 C ATOM 686 NH1 ARG A 90 -5.953 -8.494 8.859 1.00 0.00 N ATOM 687 NH2 ARG A 90 -4.324 -10.103 9.045 1.00 0.00 N ATOM 0 H ARG A 90 -4.826 -6.243 3.062 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.567 -7.426 4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.102 -8.742 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.001 -9.390 4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.558 -7.241 5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.914 -7.067 4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.788 -8.284 6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.532 -9.491 5.395 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.525 -10.248 6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.585 -7.940 8.281 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.942 -8.365 9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.703 -10.787 8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.314 -9.974 10.057 1.00 0.00 H new ATOM 701 N VAL A 91 -3.092 -8.060 1.210 1.00 0.00 N ATOM 702 CA VAL A 91 -2.551 -8.714 0.015 1.00 0.00 C ATOM 703 C VAL A 91 -1.290 -8.018 -0.481 1.00 0.00 C ATOM 704 O VAL A 91 -0.298 -8.677 -0.773 1.00 0.00 O ATOM 705 CB VAL A 91 -3.596 -8.765 -1.125 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.023 -9.434 -2.367 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.851 -9.490 -0.669 1.00 0.00 C ATOM 0 H VAL A 91 -3.848 -7.402 1.021 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.297 -9.734 0.305 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.858 -7.739 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.780 -9.455 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.156 -8.873 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.722 -10.453 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.573 -9.515 -1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.597 -10.509 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.284 -8.966 0.183 1.00 0.00 H new ATOM 717 N PHE A 92 -1.322 -6.691 -0.526 1.00 0.00 N ATOM 718 CA PHE A 92 -0.222 -5.887 -1.060 1.00 0.00 C ATOM 719 C PHE A 92 0.959 -5.814 -0.096 1.00 0.00 C ATOM 720 O PHE A 92 1.814 -4.938 -0.208 1.00 0.00 O ATOM 721 CB PHE A 92 -0.693 -4.482 -1.442 1.00 0.00 C ATOM 722 CG PHE A 92 -1.472 -4.446 -2.725 1.00 0.00 C ATOM 723 CD1 PHE A 92 -0.833 -4.646 -3.939 1.00 0.00 C ATOM 724 CD2 PHE A 92 -2.837 -4.207 -2.722 1.00 0.00 C ATOM 725 CE1 PHE A 92 -1.541 -4.612 -5.125 1.00 0.00 C ATOM 726 CE2 PHE A 92 -3.551 -4.173 -3.906 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.901 -4.375 -5.108 1.00 0.00 C ATOM 0 H PHE A 92 -2.112 -6.138 -0.193 1.00 0.00 H new ATOM 0 HA PHE A 92 0.123 -6.391 -1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.311 -4.082 -0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.174 -3.828 -1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.231 -4.831 -3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.349 -4.046 -1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.031 -4.771 -6.064 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.615 -3.989 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.456 -4.348 -6.034 1.00 0.00 H new ATOM 737 N ASP A 93 0.994 -6.735 0.849 1.00 0.00 N ATOM 738 CA ASP A 93 2.045 -6.781 1.844 1.00 0.00 C ATOM 739 C ASP A 93 2.711 -8.159 1.792 1.00 0.00 C ATOM 740 O ASP A 93 2.041 -9.168 1.583 1.00 0.00 O ATOM 741 CB ASP A 93 1.462 -6.516 3.238 1.00 0.00 C ATOM 742 CG ASP A 93 2.525 -6.372 4.312 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.558 -7.040 4.259 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.350 -5.606 5.260 1.00 0.00 O ATOM 0 H ASP A 93 0.295 -7.471 0.947 1.00 0.00 H new ATOM 0 HA ASP A 93 2.788 -6.011 1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.861 -5.607 3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.792 -7.333 3.506 1.00 0.00 H new ATOM 749 N LYS A 94 4.029 -8.187 1.979 1.00 0.00 N ATOM 750 CA LYS A 94 4.783 -9.440 2.003 1.00 0.00 C ATOM 751 C LYS A 94 4.359 -10.276 3.206 1.00 0.00 C ATOM 752 O LYS A 94 4.143 -11.484 3.114 1.00 0.00 O ATOM 753 CB LYS A 94 6.286 -9.166 2.122 1.00 0.00 C ATOM 754 CG LYS A 94 6.882 -8.336 1.000 1.00 0.00 C ATOM 755 CD LYS A 94 8.379 -8.165 1.213 1.00 0.00 C ATOM 756 CE LYS A 94 9.059 -7.449 0.057 1.00 0.00 C ATOM 757 NZ LYS A 94 10.527 -7.352 0.268 1.00 0.00 N ATOM 0 H LYS A 94 4.599 -7.353 2.117 1.00 0.00 H new ATOM 0 HA LYS A 94 4.578 -9.972 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.473 -8.657 3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.811 -10.120 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.696 -8.820 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.398 -7.360 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.549 -7.605 2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.837 -9.145 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.858 -7.982 -0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.639 -6.449 -0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.962 -6.859 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.718 -6.822 1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.930 -8.307 0.347 1.00 0.00 H new ATOM 771 N ASP A 95 4.245 -9.592 4.332 1.00 0.00 N ATOM 772 CA ASP A 95 3.977 -10.219 5.621 1.00 0.00 C ATOM 773 C ASP A 95 2.539 -9.984 6.071 1.00 0.00 C ATOM 774 O ASP A 95 2.122 -10.465 7.123 1.00 0.00 O ATOM 775 CB ASP A 95 4.937 -9.657 6.675 1.00 0.00 C ATOM 776 CG ASP A 95 4.966 -8.137 6.670 1.00 0.00 C ATOM 777 OD1 ASP A 95 3.919 -7.503 6.866 1.00 0.00 O ATOM 778 OD2 ASP A 95 6.051 -7.548 6.532 1.00 0.00 O ATOM 0 H ASP A 95 4.336 -8.577 4.381 1.00 0.00 H new ATOM 0 HA ASP A 95 4.127 -11.293 5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.638 -10.010 7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.941 -10.039 6.490 1.00 0.00 H new ATOM 783 N GLY A 96 1.787 -9.264 5.238 1.00 0.00 N ATOM 784 CA GLY A 96 0.424 -8.866 5.566 1.00 0.00 C ATOM 785 C GLY A 96 0.245 -8.237 6.942 1.00 0.00 C ATOM 786 O GLY A 96 -0.709 -8.571 7.637 1.00 0.00 O ATOM 0 H GLY A 96 2.106 -8.944 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.078 -8.158 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.220 -9.743 5.499 1.00 0.00 H new ATOM 790 N ASN A 97 1.128 -7.315 7.348 1.00 0.00 N ATOM 791 CA ASN A 97 0.989 -6.652 8.653 1.00 0.00 C ATOM 792 C ASN A 97 -0.104 -5.579 8.649 1.00 0.00 C ATOM 793 O ASN A 97 -0.162 -4.745 9.557 1.00 0.00 O ATOM 794 CB ASN A 97 2.326 -6.036 9.133 1.00 0.00 C ATOM 795 CG ASN A 97 2.833 -4.869 8.282 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.653 -5.048 7.376 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.372 -3.664 8.572 1.00 0.00 N ATOM 0 H ASN A 97 1.935 -7.014 6.802 1.00 0.00 H new ATOM 0 HA ASN A 97 0.694 -7.433 9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.204 -5.693 10.160 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.087 -6.817 9.145 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.693 -2.854 8.042 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.695 -3.545 9.326 1.00 0.00 H new ATOM 804 N GLY A 98 -0.966 -5.598 7.641 1.00 0.00 N ATOM 805 CA GLY A 98 -2.097 -4.687 7.623 1.00 0.00 C ATOM 806 C GLY A 98 -1.742 -3.311 7.096 1.00 0.00 C ATOM 807 O GLY A 98 -2.438 -2.337 7.376 1.00 0.00 O ATOM 0 H GLY A 98 -0.904 -6.224 6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.889 -5.112 7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.495 -4.591 8.633 1.00 0.00 H new ATOM 811 N TYR A 99 -0.671 -3.242 6.317 1.00 0.00 N ATOM 812 CA TYR A 99 -0.165 -1.977 5.795 1.00 0.00 C ATOM 813 C TYR A 99 0.598 -2.243 4.505 1.00 0.00 C ATOM 814 O TYR A 99 1.106 -3.339 4.306 1.00 0.00 O ATOM 815 CB TYR A 99 0.751 -1.270 6.800 1.00 0.00 C ATOM 816 CG TYR A 99 0.047 -0.706 8.011 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.834 0.361 7.893 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.275 -1.233 9.273 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.469 0.881 9.000 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.356 -0.718 10.383 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.228 0.338 10.243 1.00 0.00 C ATOM 822 OH TYR A 99 -1.855 0.856 11.348 1.00 0.00 O ATOM 0 H TYR A 99 -0.129 -4.057 6.029 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.015 -1.321 5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.512 -1.975 7.135 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.270 -0.459 6.289 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.024 0.789 6.920 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.959 -2.061 9.387 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.152 1.710 8.894 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.168 -1.140 11.359 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.577 0.359 12.145 1.00 0.00 H new ATOM 832 N ILE A 100 0.678 -1.252 3.633 1.00 0.00 N ATOM 833 CA ILE A 100 1.319 -1.448 2.339 1.00 0.00 C ATOM 834 C ILE A 100 2.553 -0.563 2.195 1.00 0.00 C ATOM 835 O ILE A 100 2.451 0.636 1.944 1.00 0.00 O ATOM 836 CB ILE A 100 0.329 -1.152 1.189 1.00 0.00 C ATOM 837 CG1 ILE A 100 -0.928 -2.013 1.343 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.979 -1.404 -0.163 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.016 -1.707 0.333 1.00 0.00 C ATOM 0 H ILE A 100 0.312 -0.313 3.792 1.00 0.00 H new ATOM 0 HA ILE A 100 1.631 -2.491 2.282 1.00 0.00 H new ATOM 0 HB ILE A 100 0.047 -0.100 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.649 -3.063 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.330 -1.874 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.263 -1.189 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.849 -0.757 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.291 -2.446 -0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.871 -2.359 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.326 -0.667 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.635 -1.874 -0.674 1.00 0.00 H new ATOM 851 N SER A 101 3.725 -1.153 2.364 1.00 0.00 N ATOM 852 CA SER A 101 4.969 -0.429 2.158 1.00 0.00 C ATOM 853 C SER A 101 5.422 -0.631 0.717 1.00 0.00 C ATOM 854 O SER A 101 4.989 -1.579 0.076 1.00 0.00 O ATOM 855 CB SER A 101 6.064 -0.918 3.117 1.00 0.00 C ATOM 856 OG SER A 101 5.548 -1.171 4.416 1.00 0.00 O ATOM 0 H SER A 101 3.841 -2.127 2.642 1.00 0.00 H new ATOM 0 HA SER A 101 4.796 0.629 2.358 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.515 -1.828 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.855 -0.170 3.178 1.00 0.00 H new ATOM 0 HG SER A 101 5.765 -0.420 5.006 1.00 0.00 H new ATOM 862 N ALA A 102 6.272 0.246 0.206 1.00 0.00 N ATOM 863 CA ALA A 102 6.763 0.104 -1.167 1.00 0.00 C ATOM 864 C ALA A 102 7.351 -1.287 -1.400 1.00 0.00 C ATOM 865 O ALA A 102 7.006 -1.962 -2.369 1.00 0.00 O ATOM 866 CB ALA A 102 7.791 1.169 -1.483 1.00 0.00 C ATOM 0 H ALA A 102 6.636 1.055 0.709 1.00 0.00 H new ATOM 0 HA ALA A 102 5.914 0.232 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.141 1.044 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.340 2.155 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.633 1.076 -0.798 1.00 0.00 H new ATOM 872 N ALA A 103 8.251 -1.697 -0.510 1.00 0.00 N ATOM 873 CA ALA A 103 8.828 -3.041 -0.543 1.00 0.00 C ATOM 874 C ALA A 103 7.747 -4.124 -0.627 1.00 0.00 C ATOM 875 O ALA A 103 7.801 -5.007 -1.491 1.00 0.00 O ATOM 876 CB ALA A 103 9.700 -3.261 0.684 1.00 0.00 C ATOM 0 H ALA A 103 8.600 -1.113 0.250 1.00 0.00 H new ATOM 0 HA ALA A 103 9.439 -3.119 -1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.126 -4.264 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.504 -2.525 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.095 -3.152 1.584 1.00 0.00 H new ATOM 882 N GLU A 104 6.761 -4.033 0.267 1.00 0.00 N ATOM 883 CA GLU A 104 5.642 -4.978 0.300 1.00 0.00 C ATOM 884 C GLU A 104 4.917 -4.947 -1.034 1.00 0.00 C ATOM 885 O GLU A 104 4.655 -5.981 -1.660 1.00 0.00 O ATOM 886 CB GLU A 104 4.628 -4.580 1.372 1.00 0.00 C ATOM 887 CG GLU A 104 5.231 -4.020 2.661 1.00 0.00 C ATOM 888 CD GLU A 104 5.851 -5.064 3.571 1.00 0.00 C ATOM 889 OE1 GLU A 104 6.853 -5.689 3.174 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.337 -5.253 4.706 1.00 0.00 O ATOM 0 H GLU A 104 6.715 -3.309 0.983 1.00 0.00 H new ATOM 0 HA GLU A 104 6.045 -5.968 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.952 -3.835 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.025 -5.453 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.992 -3.284 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.453 -3.492 3.212 1.00 0.00 H new ATOM 897 N LEU A 105 4.644 -3.723 -1.463 1.00 0.00 N ATOM 898 CA LEU A 105 3.865 -3.452 -2.650 1.00 0.00 C ATOM 899 C LEU A 105 4.528 -4.078 -3.861 1.00 0.00 C ATOM 900 O LEU A 105 3.876 -4.708 -4.663 1.00 0.00 O ATOM 901 CB LEU A 105 3.741 -1.933 -2.841 1.00 0.00 C ATOM 902 CG LEU A 105 2.953 -1.471 -4.067 1.00 0.00 C ATOM 903 CD1 LEU A 105 1.491 -1.870 -3.947 1.00 0.00 C ATOM 904 CD2 LEU A 105 3.088 0.036 -4.233 1.00 0.00 C ATOM 0 H LEU A 105 4.965 -2.881 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 105 2.870 -3.883 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.270 -1.513 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.745 -1.512 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 105 3.363 -1.959 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.948 -1.532 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.415 -2.954 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.060 -1.410 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.524 0.358 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.698 0.536 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.139 0.295 -4.363 1.00 0.00 H new ATOM 916 N ARG A 106 5.839 -3.949 -3.949 1.00 0.00 N ATOM 917 CA ARG A 106 6.552 -4.433 -5.122 1.00 0.00 C ATOM 918 C ARG A 106 6.492 -5.958 -5.184 1.00 0.00 C ATOM 919 O ARG A 106 6.282 -6.524 -6.248 1.00 0.00 O ATOM 920 CB ARG A 106 7.989 -3.910 -5.169 1.00 0.00 C ATOM 921 CG ARG A 106 9.057 -4.954 -4.929 1.00 0.00 C ATOM 922 CD ARG A 106 10.441 -4.378 -5.151 1.00 0.00 C ATOM 923 NE ARG A 106 11.470 -5.409 -5.205 1.00 0.00 N ATOM 924 CZ ARG A 106 12.771 -5.149 -5.339 1.00 0.00 C ATOM 925 NH1 ARG A 106 13.201 -3.894 -5.374 1.00 0.00 N ATOM 926 NH2 ARG A 106 13.640 -6.145 -5.441 1.00 0.00 N ATOM 0 H ARG A 106 6.427 -3.520 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 106 6.056 -4.041 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.162 -3.453 -6.143 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.098 -3.122 -4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.977 -5.334 -3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.900 -5.800 -5.598 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.450 -3.810 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.673 -3.678 -4.348 1.00 0.00 H new ATOM 0 HE ARG A 106 11.179 -6.384 -5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.536 -3.125 -5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.197 -3.699 -5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.314 -7.111 -5.417 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.635 -5.945 -5.543 1.00 0.00 H new ATOM 940 N HIS A 107 6.663 -6.603 -4.035 1.00 0.00 N ATOM 941 CA HIS A 107 6.497 -8.055 -3.914 1.00 0.00 C ATOM 942 C HIS A 107 5.163 -8.522 -4.508 1.00 0.00 C ATOM 943 O HIS A 107 5.101 -9.498 -5.246 1.00 0.00 O ATOM 944 CB HIS A 107 6.580 -8.446 -2.430 1.00 0.00 C ATOM 945 CG HIS A 107 6.233 -9.879 -2.123 1.00 0.00 C ATOM 946 ND1 HIS A 107 4.959 -10.292 -1.780 1.00 0.00 N ATOM 947 CD2 HIS A 107 7.008 -10.986 -2.069 1.00 0.00 C ATOM 948 CE1 HIS A 107 4.972 -11.589 -1.532 1.00 0.00 C ATOM 949 NE2 HIS A 107 6.200 -12.030 -1.701 1.00 0.00 N ATOM 0 H HIS A 107 6.919 -6.141 -3.163 1.00 0.00 H new ATOM 0 HA HIS A 107 7.293 -8.543 -4.476 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.592 -8.250 -2.075 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.912 -7.798 -1.862 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.066 -11.038 -2.277 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.120 -12.186 -1.240 1.00 0.00 H new ATOM 0 HE2 HIS A 107 6.503 -12.996 -1.578 1.00 0.00 H new ATOM 958 N VAL A 108 4.103 -7.815 -4.170 1.00 0.00 N ATOM 959 CA VAL A 108 2.762 -8.239 -4.570 1.00 0.00 C ATOM 960 C VAL A 108 2.378 -7.691 -5.942 1.00 0.00 C ATOM 961 O VAL A 108 1.818 -8.395 -6.781 1.00 0.00 O ATOM 962 CB VAL A 108 1.700 -7.839 -3.541 1.00 0.00 C ATOM 963 CG1 VAL A 108 0.466 -8.713 -3.693 1.00 0.00 C ATOM 964 CG2 VAL A 108 2.281 -7.916 -2.143 1.00 0.00 C ATOM 0 H VAL A 108 4.135 -6.953 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 108 2.795 -9.327 -4.626 1.00 0.00 H new ATOM 0 HB VAL A 108 1.392 -6.808 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.281 -8.419 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.055 -8.591 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.738 -9.757 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.520 -7.630 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.610 -8.935 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.131 -7.238 -2.064 1.00 0.00 H new ATOM 974 N MET A 109 2.689 -6.424 -6.143 1.00 0.00 N ATOM 975 CA MET A 109 2.226 -5.664 -7.293 1.00 0.00 C ATOM 976 C MET A 109 2.890 -6.123 -8.596 1.00 0.00 C ATOM 977 O MET A 109 2.236 -6.742 -9.439 1.00 0.00 O ATOM 978 CB MET A 109 2.482 -4.173 -7.033 1.00 0.00 C ATOM 979 CG MET A 109 1.663 -3.223 -7.897 1.00 0.00 C ATOM 980 SD MET A 109 2.194 -3.187 -9.620 1.00 0.00 S ATOM 981 CE MET A 109 1.112 -1.915 -10.269 1.00 0.00 C ATOM 0 H MET A 109 3.277 -5.886 -5.506 1.00 0.00 H new ATOM 0 HA MET A 109 1.158 -5.838 -7.421 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.272 -3.960 -5.985 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.540 -3.967 -7.194 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.614 -3.517 -7.854 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.730 -2.217 -7.482 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.315 -1.771 -11.330 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.073 -2.218 -10.136 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.288 -0.981 -9.736 1.00 0.00 H new ATOM 991 N THR A 110 4.175 -5.832 -8.779 1.00 0.00 N ATOM 992 CA THR A 110 4.823 -6.113 -10.053 1.00 0.00 C ATOM 993 C THR A 110 6.068 -6.997 -9.899 1.00 0.00 C ATOM 994 O THR A 110 6.291 -7.902 -10.706 1.00 0.00 O ATOM 995 CB THR A 110 5.196 -4.797 -10.785 1.00 0.00 C ATOM 996 OG1 THR A 110 5.945 -5.071 -11.977 1.00 0.00 O ATOM 997 CG2 THR A 110 5.994 -3.869 -9.882 1.00 0.00 C ATOM 0 H THR A 110 4.778 -5.409 -8.074 1.00 0.00 H new ATOM 0 HA THR A 110 4.100 -6.667 -10.652 1.00 0.00 H new ATOM 0 HB THR A 110 4.264 -4.301 -11.056 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.169 -4.228 -12.424 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.240 -2.956 -10.424 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.401 -3.620 -9.002 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.914 -4.365 -9.572 1.00 0.00 H new ATOM 1005 N ASN A 111 6.863 -6.752 -8.861 1.00 0.00 N ATOM 1006 CA ASN A 111 8.125 -7.463 -8.682 1.00 0.00 C ATOM 1007 C ASN A 111 7.888 -8.854 -8.072 1.00 0.00 C ATOM 1008 O ASN A 111 6.742 -9.290 -7.946 1.00 0.00 O ATOM 1009 CB ASN A 111 9.080 -6.621 -7.828 1.00 0.00 C ATOM 1010 CG ASN A 111 10.526 -7.078 -7.907 1.00 0.00 C ATOM 1011 OD1 ASN A 111 10.997 -7.841 -7.064 1.00 0.00 O ATOM 1012 ND2 ASN A 111 11.237 -6.619 -8.921 1.00 0.00 N ATOM 0 H ASN A 111 6.656 -6.068 -8.133 1.00 0.00 H new ATOM 0 HA ASN A 111 8.589 -7.617 -9.656 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.018 -5.580 -8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 111 8.752 -6.656 -6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.213 -6.896 -9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 111 10.810 -5.988 -9.599 1.00 0.00 H new