USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 594 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 MET CE :methyl 162:sc= -2.8 (180deg=-3.48!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 164:sc= 1.84 (180deg=0) USER MOD Set 2.2: A 48 ASN : amide:sc= 1.85 K(o=4.2,f=-6.9!) USER MOD Set 2.3: A 55 ASN : amide:sc= 0.531 K(o=4.2,f=-2.8) USER MOD Set 3.1: A 33 GLN : amide:sc= -0.497 K(o=-0.5,f=-1) USER MOD Set 3.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.31) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.0459 (180deg=-0.321) USER MOD Single : A 30 GLN : amide:sc= -0.443 K(o=-0.44,f=-9.8!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 38 THR OG1 : rot -96:sc= 1.19 USER MOD Single : A 43 CYS SG : rot 26:sc= -0.841 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0706 K(o=-0.071,f=-0.7) USER MOD Single : A 49 ASN : amide:sc= -0.0922 K(o=-0.092,f=-2.1!) USER MOD Single : A 50 SER OG : rot 160:sc= -0.132 USER MOD Single : A 54 SER OG : rot -91:sc= 1.06 USER MOD Single : A 60 THR OG1 : rot 73:sc= 1.29 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 65 LYS NZ :NH3+ 132:sc= 1.27 (180deg=-0.603) USER MOD Single : A 67 TYR OH : rot 28:sc= 1.22 USER MOD Single : A 70 MET CE :methyl 147:sc= -3.58! (180deg=-4.97!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.462) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -126:sc= -4.89! (180deg=-7.2!) USER MOD Single : A 87 TYR OH : rot 150:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0189 K(o=-0.019,f=-1.1) USER MOD Single : A 92 THR OG1 : rot -1:sc= 0.452 USER MOD Single : A 93 TYR OH : rot 15:sc= 0.0879 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 22 11.219 -3.684 -8.356 1.00 0.00 N ATOM 47 CA VAL A 22 12.198 -2.721 -7.861 1.00 0.00 C ATOM 48 C VAL A 22 12.002 -2.524 -6.354 1.00 0.00 C ATOM 49 O VAL A 22 12.821 -1.913 -5.665 1.00 0.00 O ATOM 50 CB VAL A 22 12.061 -1.363 -8.593 1.00 0.00 C ATOM 51 CG1 VAL A 22 10.783 -0.638 -8.182 1.00 0.00 C ATOM 52 CG2 VAL A 22 13.282 -0.490 -8.345 1.00 0.00 C ATOM 0 HA VAL A 22 13.197 -3.110 -8.054 1.00 0.00 H new ATOM 0 HB VAL A 22 11.998 -1.566 -9.662 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.716 0.311 -8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.919 -1.254 -8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.799 -0.452 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.164 0.459 -8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.385 -0.304 -7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.173 -0.998 -8.712 1.00 0.00 H new ATOM 62 N LEU A 23 10.903 -3.077 -5.858 1.00 0.00 N ATOM 63 CA LEU A 23 10.523 -2.958 -4.463 1.00 0.00 C ATOM 64 C LEU A 23 11.331 -3.930 -3.611 1.00 0.00 C ATOM 65 O LEU A 23 10.822 -4.960 -3.156 1.00 0.00 O ATOM 66 CB LEU A 23 9.029 -3.240 -4.313 1.00 0.00 C ATOM 67 CG LEU A 23 8.145 -2.680 -5.436 1.00 0.00 C ATOM 68 CD1 LEU A 23 6.684 -3.015 -5.184 1.00 0.00 C ATOM 69 CD2 LEU A 23 8.337 -1.179 -5.588 1.00 0.00 C ATOM 0 H LEU A 23 10.249 -3.623 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 23 10.731 -1.944 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.882 -4.319 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.690 -2.825 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 23 8.449 -3.151 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.073 -2.610 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.561 -4.097 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.369 -2.579 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.698 -0.810 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.071 -0.682 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.379 -0.968 -5.827 1.00 0.00 H new ATOM 81 N GLN A 24 12.594 -3.601 -3.418 1.00 0.00 N ATOM 82 CA GLN A 24 13.496 -4.438 -2.648 1.00 0.00 C ATOM 83 C GLN A 24 13.585 -3.947 -1.214 1.00 0.00 C ATOM 84 O GLN A 24 14.078 -2.849 -0.949 1.00 0.00 O ATOM 85 CB GLN A 24 14.880 -4.463 -3.293 1.00 0.00 C ATOM 86 CG GLN A 24 14.889 -5.119 -4.663 1.00 0.00 C ATOM 87 CD GLN A 24 14.516 -6.587 -4.609 1.00 0.00 C ATOM 88 OE1 GLN A 24 13.342 -6.954 -4.709 1.00 0.00 O ATOM 89 NE2 GLN A 24 15.517 -7.438 -4.449 1.00 0.00 N ATOM 0 H GLN A 24 13.022 -2.752 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 24 13.101 -5.454 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.250 -3.442 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.570 -4.995 -2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.192 -4.595 -5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 24 15.880 -5.016 -5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 24 16.473 -7.092 -4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.332 -8.440 -4.404 1.00 0.00 H new ATOM 98 N PHE A 25 13.100 -4.767 -0.297 1.00 0.00 N ATOM 99 CA PHE A 25 13.072 -4.421 1.115 1.00 0.00 C ATOM 100 C PHE A 25 14.415 -4.712 1.751 1.00 0.00 C ATOM 101 O PHE A 25 15.024 -5.759 1.523 1.00 0.00 O ATOM 102 CB PHE A 25 11.951 -5.198 1.814 1.00 0.00 C ATOM 103 CG PHE A 25 10.614 -4.990 1.165 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.940 -3.789 1.310 1.00 0.00 C ATOM 105 CD2 PHE A 25 10.037 -5.988 0.399 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.716 -3.587 0.704 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.812 -5.794 -0.208 1.00 0.00 C ATOM 108 CZ PHE A 25 8.152 -4.592 -0.057 1.00 0.00 C ATOM 0 H PHE A 25 12.716 -5.688 -0.509 1.00 0.00 H new ATOM 0 HA PHE A 25 12.873 -3.355 1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.192 -6.261 1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.896 -4.889 2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.377 -3.001 1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.551 -6.930 0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.201 -2.645 0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.371 -6.582 -0.800 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.195 -4.437 -0.533 1.00 0.00 H new ATOM 118 N LYS A 26 14.867 -3.730 2.521 1.00 0.00 N ATOM 119 CA LYS A 26 16.108 -3.783 3.269 1.00 0.00 C ATOM 120 C LYS A 26 16.201 -5.083 4.059 1.00 0.00 C ATOM 121 O LYS A 26 17.260 -5.705 4.146 1.00 0.00 O ATOM 122 CB LYS A 26 16.145 -2.550 4.179 1.00 0.00 C ATOM 123 CG LYS A 26 16.585 -2.808 5.604 1.00 0.00 C ATOM 124 CD LYS A 26 15.604 -2.183 6.581 1.00 0.00 C ATOM 125 CE LYS A 26 15.589 -0.669 6.480 1.00 0.00 C ATOM 126 NZ LYS A 26 16.930 -0.076 6.745 1.00 0.00 N ATOM 0 H LYS A 26 14.363 -2.852 2.643 1.00 0.00 H new ATOM 0 HA LYS A 26 16.970 -3.769 2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.816 -1.813 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.151 -2.104 4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.652 -3.881 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.581 -2.395 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.603 -2.569 6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.868 -2.476 7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.254 -0.376 5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.868 -0.266 7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.830 0.945 6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.351 -0.529 7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.546 -0.229 5.921 1.00 0.00 H new ATOM 140 N ASP A 27 15.069 -5.482 4.608 1.00 0.00 N ATOM 141 CA ASP A 27 14.917 -6.762 5.269 1.00 0.00 C ATOM 142 C ASP A 27 13.443 -6.957 5.562 1.00 0.00 C ATOM 143 O ASP A 27 12.612 -6.219 5.022 1.00 0.00 O ATOM 144 CB ASP A 27 15.754 -6.851 6.558 1.00 0.00 C ATOM 145 CG ASP A 27 15.208 -6.028 7.711 1.00 0.00 C ATOM 146 OD1 ASP A 27 15.581 -4.851 7.834 1.00 0.00 O ATOM 147 OD2 ASP A 27 14.429 -6.567 8.521 1.00 0.00 O ATOM 0 H ASP A 27 14.219 -4.918 4.607 1.00 0.00 H new ATOM 0 HA ASP A 27 15.285 -7.554 4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.815 -7.894 6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.771 -6.523 6.341 1.00 0.00 H new ATOM 152 N GLU A 28 13.116 -7.913 6.414 1.00 0.00 N ATOM 153 CA GLU A 28 11.744 -8.191 6.753 1.00 0.00 C ATOM 154 C GLU A 28 11.064 -6.938 7.306 1.00 0.00 C ATOM 155 O GLU A 28 9.885 -6.714 7.061 1.00 0.00 O ATOM 156 CB GLU A 28 11.706 -9.337 7.763 1.00 0.00 C ATOM 157 CG GLU A 28 10.452 -9.361 8.603 1.00 0.00 C ATOM 158 CD GLU A 28 10.437 -10.491 9.608 1.00 0.00 C ATOM 159 OE1 GLU A 28 10.292 -11.663 9.196 1.00 0.00 O ATOM 160 OE2 GLU A 28 10.562 -10.215 10.819 1.00 0.00 O ATOM 0 H GLU A 28 13.795 -8.512 6.884 1.00 0.00 H new ATOM 0 HA GLU A 28 11.196 -8.489 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.794 -10.283 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.572 -9.260 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.356 -8.412 9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.585 -9.452 7.949 1.00 0.00 H new ATOM 167 N ALA A 29 11.827 -6.106 8.008 1.00 0.00 N ATOM 168 CA ALA A 29 11.292 -4.900 8.635 1.00 0.00 C ATOM 169 C ALA A 29 10.674 -3.952 7.618 1.00 0.00 C ATOM 170 O ALA A 29 9.549 -3.487 7.804 1.00 0.00 O ATOM 171 CB ALA A 29 12.380 -4.171 9.408 1.00 0.00 C ATOM 0 H ALA A 29 12.826 -6.246 8.158 1.00 0.00 H new ATOM 0 HA ALA A 29 10.507 -5.222 9.320 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.962 -3.275 9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.776 -4.826 10.184 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.183 -3.888 8.727 1.00 0.00 H new ATOM 177 N GLN A 30 11.403 -3.659 6.540 1.00 0.00 N ATOM 178 CA GLN A 30 10.879 -2.769 5.509 1.00 0.00 C ATOM 179 C GLN A 30 9.641 -3.399 4.896 1.00 0.00 C ATOM 180 O GLN A 30 8.683 -2.720 4.530 1.00 0.00 O ATOM 181 CB GLN A 30 11.902 -2.490 4.400 1.00 0.00 C ATOM 182 CG GLN A 30 11.567 -1.226 3.626 1.00 0.00 C ATOM 183 CD GLN A 30 12.686 -0.746 2.728 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.481 -1.533 2.233 1.00 0.00 O ATOM 185 NE2 GLN A 30 12.748 0.556 2.507 1.00 0.00 N ATOM 0 H GLN A 30 12.341 -4.018 6.361 1.00 0.00 H new ATOM 0 HA GLN A 30 10.641 -1.817 5.983 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.896 -2.395 4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.935 -3.337 3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.679 -1.407 3.020 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.315 -0.435 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.066 1.180 2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.478 0.937 1.905 1.00 0.00 H new ATOM 194 N GLU A 31 9.672 -4.717 4.813 1.00 0.00 N ATOM 195 CA GLU A 31 8.575 -5.473 4.255 1.00 0.00 C ATOM 196 C GLU A 31 7.364 -5.444 5.197 1.00 0.00 C ATOM 197 O GLU A 31 6.228 -5.432 4.744 1.00 0.00 O ATOM 198 CB GLU A 31 9.040 -6.904 3.966 1.00 0.00 C ATOM 199 CG GLU A 31 7.981 -7.795 3.342 1.00 0.00 C ATOM 200 CD GLU A 31 8.512 -9.171 2.999 1.00 0.00 C ATOM 201 OE1 GLU A 31 9.104 -9.327 1.913 1.00 0.00 O ATOM 202 OE2 GLU A 31 8.334 -10.106 3.810 1.00 0.00 O ATOM 0 H GLU A 31 10.456 -5.287 5.130 1.00 0.00 H new ATOM 0 HA GLU A 31 8.258 -5.020 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.902 -6.865 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.377 -7.359 4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.142 -7.894 4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.598 -7.321 2.438 1.00 0.00 H new ATOM 209 N GLN A 32 7.609 -5.392 6.508 1.00 0.00 N ATOM 210 CA GLN A 32 6.530 -5.301 7.491 1.00 0.00 C ATOM 211 C GLN A 32 5.835 -3.952 7.383 1.00 0.00 C ATOM 212 O GLN A 32 4.615 -3.860 7.498 1.00 0.00 O ATOM 213 CB GLN A 32 7.065 -5.446 8.913 1.00 0.00 C ATOM 214 CG GLN A 32 7.855 -6.709 9.171 1.00 0.00 C ATOM 215 CD GLN A 32 7.746 -7.166 10.607 1.00 0.00 C ATOM 216 OE1 GLN A 32 6.876 -7.962 10.952 1.00 0.00 O ATOM 217 NE2 GLN A 32 8.613 -6.650 11.459 1.00 0.00 N ATOM 0 H GLN A 32 8.545 -5.411 6.912 1.00 0.00 H new ATOM 0 HA GLN A 32 5.830 -6.110 7.282 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.698 -4.587 9.137 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.225 -5.412 9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.498 -7.500 8.512 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.903 -6.537 8.925 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.320 -5.992 11.131 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.576 -6.909 12.445 1.00 0.00 H new ATOM 226 N GLN A 33 6.625 -2.905 7.178 1.00 0.00 N ATOM 227 CA GLN A 33 6.079 -1.574 6.953 1.00 0.00 C ATOM 228 C GLN A 33 5.145 -1.615 5.758 1.00 0.00 C ATOM 229 O GLN A 33 4.075 -1.007 5.762 1.00 0.00 O ATOM 230 CB GLN A 33 7.201 -0.566 6.710 1.00 0.00 C ATOM 231 CG GLN A 33 6.703 0.803 6.286 1.00 0.00 C ATOM 232 CD GLN A 33 7.826 1.805 6.122 1.00 0.00 C ATOM 233 OE1 GLN A 33 8.967 1.444 5.831 1.00 0.00 O ATOM 234 NE2 GLN A 33 7.500 3.074 6.282 1.00 0.00 N ATOM 0 H GLN A 33 7.644 -2.952 7.163 1.00 0.00 H new ATOM 0 HA GLN A 33 5.527 -1.259 7.839 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.790 -0.463 7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.868 -0.955 5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.161 0.713 5.345 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.995 1.174 7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.542 3.328 6.523 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.206 3.801 6.165 1.00 0.00 H new ATOM 243 N PHE A 34 5.559 -2.369 4.751 1.00 0.00 N ATOM 244 CA PHE A 34 4.763 -2.580 3.559 1.00 0.00 C ATOM 245 C PHE A 34 3.417 -3.199 3.930 1.00 0.00 C ATOM 246 O PHE A 34 2.388 -2.820 3.378 1.00 0.00 O ATOM 247 CB PHE A 34 5.531 -3.487 2.594 1.00 0.00 C ATOM 248 CG PHE A 34 4.926 -3.609 1.230 1.00 0.00 C ATOM 249 CD1 PHE A 34 5.082 -2.599 0.294 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.184 -4.728 0.891 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.507 -2.704 -0.955 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.609 -4.839 -0.357 1.00 0.00 C ATOM 253 CZ PHE A 34 3.847 -3.847 -1.313 1.00 0.00 C ATOM 0 H PHE A 34 6.458 -2.851 4.741 1.00 0.00 H new ATOM 0 HA PHE A 34 4.573 -1.624 3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.548 -3.107 2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.605 -4.482 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.659 -1.721 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.054 -5.522 1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.578 -1.882 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.980 -5.685 -0.594 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.511 -3.983 -2.330 1.00 0.00 H new ATOM 263 N ARG A 35 3.437 -4.135 4.885 1.00 0.00 N ATOM 264 CA ARG A 35 2.212 -4.777 5.373 1.00 0.00 C ATOM 265 C ARG A 35 1.230 -3.739 5.908 1.00 0.00 C ATOM 266 O ARG A 35 0.090 -3.659 5.463 1.00 0.00 O ATOM 267 CB ARG A 35 2.527 -5.752 6.520 1.00 0.00 C ATOM 268 CG ARG A 35 2.870 -7.177 6.117 1.00 0.00 C ATOM 269 CD ARG A 35 4.075 -7.228 5.224 1.00 0.00 C ATOM 270 NE ARG A 35 4.372 -8.584 4.762 1.00 0.00 N ATOM 271 CZ ARG A 35 4.310 -8.976 3.490 1.00 0.00 C ATOM 272 NH1 ARG A 35 3.887 -8.136 2.550 1.00 0.00 N ATOM 273 NH2 ARG A 35 4.664 -10.214 3.164 1.00 0.00 N ATOM 0 H ARG A 35 4.290 -4.465 5.336 1.00 0.00 H new ATOM 0 HA ARG A 35 1.774 -5.311 4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.362 -5.348 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.667 -5.783 7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.054 -7.773 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.019 -7.625 5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.912 -6.581 4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.938 -6.833 5.760 1.00 0.00 H new ATOM 0 HE ARG A 35 4.645 -9.276 5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.608 -7.188 2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.841 -8.440 1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.982 -10.860 3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.618 -10.518 2.192 1.00 0.00 H new ATOM 287 N GLN A 36 1.709 -2.901 6.815 1.00 0.00 N ATOM 288 CA GLN A 36 0.848 -1.951 7.514 1.00 0.00 C ATOM 289 C GLN A 36 0.353 -0.866 6.580 1.00 0.00 C ATOM 290 O GLN A 36 -0.799 -0.432 6.661 1.00 0.00 O ATOM 291 CB GLN A 36 1.603 -1.304 8.676 1.00 0.00 C ATOM 292 CG GLN A 36 2.285 -2.302 9.605 1.00 0.00 C ATOM 293 CD GLN A 36 3.096 -1.627 10.698 1.00 0.00 C ATOM 294 OE1 GLN A 36 2.655 -0.451 11.124 1.00 0.00 O flip ATOM 295 NE2 GLN A 36 4.110 -2.156 11.156 1.00 0.00 N flip ATOM 0 H GLN A 36 2.691 -2.857 7.087 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.010 -2.505 7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.355 -0.625 8.274 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.906 -0.700 9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.530 -2.942 10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.939 -2.948 9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.417 -3.062 10.802 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.642 -1.688 11.889 1.00 0.00 H new ATOM 304 N LEU A 37 1.229 -0.435 5.691 1.00 0.00 N ATOM 305 CA LEU A 37 0.920 0.650 4.781 1.00 0.00 C ATOM 306 C LEU A 37 -0.113 0.225 3.741 1.00 0.00 C ATOM 307 O LEU A 37 -0.810 1.062 3.173 1.00 0.00 O ATOM 308 CB LEU A 37 2.201 1.162 4.119 1.00 0.00 C ATOM 309 CG LEU A 37 3.219 1.780 5.079 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.415 2.320 4.316 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.574 2.868 5.919 1.00 0.00 C ATOM 0 H LEU A 37 2.166 -0.823 5.580 1.00 0.00 H new ATOM 0 HA LEU A 37 0.480 1.466 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.676 0.335 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.933 1.906 3.369 1.00 0.00 H new ATOM 0 HG LEU A 37 3.572 0.999 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.127 2.755 5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.894 1.508 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.083 3.085 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.316 3.294 6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.186 3.650 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.756 2.442 6.500 1.00 0.00 H new ATOM 323 N THR A 38 -0.217 -1.077 3.495 1.00 0.00 N ATOM 324 CA THR A 38 -1.192 -1.582 2.543 1.00 0.00 C ATOM 325 C THR A 38 -2.476 -2.061 3.232 1.00 0.00 C ATOM 326 O THR A 38 -3.527 -2.139 2.590 1.00 0.00 O ATOM 327 CB THR A 38 -0.619 -2.727 1.685 1.00 0.00 C ATOM 328 OG1 THR A 38 0.128 -3.637 2.495 1.00 0.00 O ATOM 329 CG2 THR A 38 0.254 -2.193 0.558 1.00 0.00 C ATOM 0 H THR A 38 0.358 -1.794 3.939 1.00 0.00 H new ATOM 0 HA THR A 38 -1.436 -0.742 1.893 1.00 0.00 H new ATOM 0 HB THR A 38 -1.461 -3.258 1.240 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.079 -3.405 2.455 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.642 -3.026 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.339 -1.543 -0.085 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.085 -1.627 0.979 1.00 0.00 H new ATOM 337 N GLU A 39 -2.407 -2.368 4.534 1.00 0.00 N ATOM 338 CA GLU A 39 -3.564 -2.940 5.231 1.00 0.00 C ATOM 339 C GLU A 39 -4.528 -1.872 5.755 1.00 0.00 C ATOM 340 O GLU A 39 -5.685 -2.172 6.053 1.00 0.00 O ATOM 341 CB GLU A 39 -3.128 -3.860 6.376 1.00 0.00 C ATOM 342 CG GLU A 39 -2.502 -5.163 5.900 1.00 0.00 C ATOM 343 CD GLU A 39 -2.303 -6.167 7.017 1.00 0.00 C ATOM 344 OE1 GLU A 39 -1.237 -6.126 7.670 1.00 0.00 O ATOM 345 OE2 GLU A 39 -3.209 -6.992 7.257 1.00 0.00 O ATOM 0 H GLU A 39 -1.580 -2.233 5.115 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.101 -3.529 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.413 -3.331 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.993 -4.087 6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.136 -5.604 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.539 -4.949 5.436 1.00 0.00 H new ATOM 352 N GLU A 40 -4.068 -0.633 5.877 1.00 0.00 N ATOM 353 CA GLU A 40 -4.958 0.455 6.282 1.00 0.00 C ATOM 354 C GLU A 40 -5.623 1.100 5.074 1.00 0.00 C ATOM 355 O GLU A 40 -6.395 2.053 5.209 1.00 0.00 O ATOM 356 CB GLU A 40 -4.212 1.517 7.093 1.00 0.00 C ATOM 357 CG GLU A 40 -4.077 1.171 8.565 1.00 0.00 C ATOM 358 CD GLU A 40 -3.604 2.345 9.399 1.00 0.00 C ATOM 359 OE1 GLU A 40 -4.252 3.412 9.352 1.00 0.00 O ATOM 360 OE2 GLU A 40 -2.566 2.210 10.085 1.00 0.00 O ATOM 0 H GLU A 40 -3.101 -0.356 5.705 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.730 0.017 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.218 1.655 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.735 2.469 6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.039 0.826 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.375 0.344 8.677 1.00 0.00 H new ATOM 367 N LEU A 41 -5.336 0.567 3.900 1.00 0.00 N ATOM 368 CA LEU A 41 -5.859 1.123 2.668 1.00 0.00 C ATOM 369 C LEU A 41 -6.965 0.244 2.098 1.00 0.00 C ATOM 370 O LEU A 41 -6.857 -0.982 2.093 1.00 0.00 O ATOM 371 CB LEU A 41 -4.721 1.300 1.655 1.00 0.00 C ATOM 372 CG LEU A 41 -5.142 1.767 0.262 1.00 0.00 C ATOM 373 CD1 LEU A 41 -6.040 2.986 0.360 1.00 0.00 C ATOM 374 CD2 LEU A 41 -3.916 2.076 -0.573 1.00 0.00 C ATOM 0 H LEU A 41 -4.742 -0.253 3.775 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.294 2.099 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.008 2.018 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.196 0.350 1.557 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.703 0.968 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.330 3.305 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.932 2.736 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.504 3.794 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.225 2.408 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.336 2.863 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.303 1.179 -0.666 1.00 0.00 H new ATOM 386 N ARG A 42 -8.027 0.883 1.623 1.00 0.00 N ATOM 387 CA ARG A 42 -9.137 0.171 1.016 1.00 0.00 C ATOM 388 C ARG A 42 -8.890 -0.072 -0.465 1.00 0.00 C ATOM 389 O ARG A 42 -8.463 0.829 -1.188 1.00 0.00 O ATOM 390 CB ARG A 42 -10.447 0.955 1.151 1.00 0.00 C ATOM 391 CG ARG A 42 -11.202 0.744 2.451 1.00 0.00 C ATOM 392 CD ARG A 42 -12.611 1.299 2.326 1.00 0.00 C ATOM 393 NE ARG A 42 -13.409 1.105 3.534 1.00 0.00 N ATOM 394 CZ ARG A 42 -14.720 1.322 3.589 1.00 0.00 C ATOM 395 NH1 ARG A 42 -15.383 1.677 2.500 1.00 0.00 N ATOM 396 NH2 ARG A 42 -15.369 1.164 4.731 1.00 0.00 N ATOM 0 H ARG A 42 -8.140 1.896 1.648 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.219 -0.779 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.227 2.017 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.101 0.682 0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.240 -0.319 2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.679 1.237 3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.558 2.364 2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.112 0.819 1.485 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.936 0.786 4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.889 1.785 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.388 1.842 2.546 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.864 0.876 5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.374 1.330 4.773 1.00 0.00 H new ATOM 410 N CYS A 43 -9.162 -1.289 -0.905 1.00 0.00 N ATOM 411 CA CYS A 43 -9.198 -1.586 -2.324 1.00 0.00 C ATOM 412 C CYS A 43 -10.646 -1.820 -2.743 1.00 0.00 C ATOM 413 O CYS A 43 -11.362 -2.607 -2.116 1.00 0.00 O ATOM 414 CB CYS A 43 -8.329 -2.804 -2.665 1.00 0.00 C ATOM 415 SG CYS A 43 -8.837 -4.341 -1.866 1.00 0.00 S ATOM 0 H CYS A 43 -9.361 -2.085 -0.300 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.789 -0.738 -2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.341 -2.951 -3.745 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.298 -2.588 -2.384 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.108 -4.290 -1.596 1.00 0.00 H new ATOM 421 N PRO A 44 -11.104 -1.124 -3.793 1.00 0.00 N ATOM 422 CA PRO A 44 -12.497 -1.202 -4.274 1.00 0.00 C ATOM 423 C PRO A 44 -12.865 -2.564 -4.875 1.00 0.00 C ATOM 424 O PRO A 44 -13.873 -2.693 -5.569 1.00 0.00 O ATOM 425 CB PRO A 44 -12.569 -0.101 -5.343 1.00 0.00 C ATOM 426 CG PRO A 44 -11.382 0.764 -5.082 1.00 0.00 C ATOM 427 CD PRO A 44 -10.322 -0.166 -4.580 1.00 0.00 C ATOM 0 HA PRO A 44 -13.204 -1.074 -3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.537 -0.523 -6.348 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.496 0.466 -5.264 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.060 1.275 -5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.611 1.535 -4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.785 -0.650 -5.395 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.580 0.352 -3.972 1.00 0.00 H new ATOM 435 N LYS A 45 -12.043 -3.572 -4.609 1.00 0.00 N ATOM 436 CA LYS A 45 -12.359 -4.940 -4.991 1.00 0.00 C ATOM 437 C LYS A 45 -13.335 -5.534 -3.979 1.00 0.00 C ATOM 438 O LYS A 45 -14.025 -6.516 -4.264 1.00 0.00 O ATOM 439 CB LYS A 45 -11.083 -5.797 -5.050 1.00 0.00 C ATOM 440 CG LYS A 45 -11.336 -7.242 -5.460 1.00 0.00 C ATOM 441 CD LYS A 45 -10.112 -8.117 -5.247 1.00 0.00 C ATOM 442 CE LYS A 45 -10.428 -9.582 -5.515 1.00 0.00 C ATOM 443 NZ LYS A 45 -9.318 -10.486 -5.110 1.00 0.00 N ATOM 0 H LYS A 45 -11.150 -3.465 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.814 -4.933 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.385 -5.345 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.602 -5.785 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.171 -7.641 -4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.627 -7.275 -6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.308 -7.789 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.753 -8.001 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.334 -9.860 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.634 -9.718 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.669 -11.463 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.553 -10.432 -5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.955 -10.195 -4.180 1.00 0.00 H new ATOM 457 N CYS A 46 -13.372 -4.914 -2.794 1.00 0.00 N ATOM 458 CA CYS A 46 -14.225 -5.345 -1.684 1.00 0.00 C ATOM 459 C CYS A 46 -13.730 -6.664 -1.094 1.00 0.00 C ATOM 460 O CYS A 46 -13.202 -6.698 0.021 1.00 0.00 O ATOM 461 CB CYS A 46 -15.686 -5.468 -2.131 1.00 0.00 C ATOM 462 SG CYS A 46 -16.330 -3.983 -2.941 1.00 0.00 S ATOM 0 H CYS A 46 -12.806 -4.093 -2.578 1.00 0.00 H new ATOM 0 HA CYS A 46 -14.170 -4.583 -0.906 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -15.777 -6.312 -2.815 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -16.304 -5.694 -1.262 1.00 0.00 H new ATOM 0 HG CYS A 46 -17.568 -4.179 -3.286 1.00 0.00 H new ATOM 468 N GLN A 47 -13.870 -7.738 -1.855 1.00 0.00 N ATOM 469 CA GLN A 47 -13.484 -9.063 -1.395 1.00 0.00 C ATOM 470 C GLN A 47 -11.981 -9.268 -1.542 1.00 0.00 C ATOM 471 O GLN A 47 -11.516 -9.998 -2.419 1.00 0.00 O ATOM 472 CB GLN A 47 -14.261 -10.129 -2.160 1.00 0.00 C ATOM 473 CG GLN A 47 -15.768 -9.958 -2.041 1.00 0.00 C ATOM 474 CD GLN A 47 -16.261 -10.091 -0.614 1.00 0.00 C ATOM 475 OE1 GLN A 47 -15.684 -10.824 0.189 1.00 0.00 O ATOM 476 NE2 GLN A 47 -17.320 -9.377 -0.281 1.00 0.00 N ATOM 0 H GLN A 47 -14.251 -7.717 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 47 -13.729 -9.152 -0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -13.978 -10.094 -3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.981 -11.114 -1.787 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.050 -8.979 -2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.264 -10.703 -2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.772 -8.781 -0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.687 -9.422 0.670 1.00 0.00 H new ATOM 485 N ASN A 48 -11.245 -8.595 -0.671 1.00 0.00 N ATOM 486 CA ASN A 48 -9.786 -8.641 -0.631 1.00 0.00 C ATOM 487 C ASN A 48 -9.324 -7.705 0.468 1.00 0.00 C ATOM 488 O ASN A 48 -8.254 -7.878 1.051 1.00 0.00 O ATOM 489 CB ASN A 48 -9.173 -8.194 -1.960 1.00 0.00 C ATOM 490 CG ASN A 48 -7.814 -8.824 -2.216 1.00 0.00 C ATOM 491 OD1 ASN A 48 -7.720 -9.863 -2.870 1.00 0.00 O ATOM 492 ND2 ASN A 48 -6.755 -8.207 -1.713 1.00 0.00 N ATOM 0 H ASN A 48 -11.650 -7.989 0.043 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.466 -9.666 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.850 -8.454 -2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.073 -7.109 -1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.822 -8.591 -1.863 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.873 -7.348 -1.176 1.00 0.00 H new ATOM 499 N ASN A 49 -10.168 -6.697 0.719 1.00 0.00 N ATOM 500 CA ASN A 49 -9.977 -5.721 1.791 1.00 0.00 C ATOM 501 C ASN A 49 -8.817 -4.780 1.485 1.00 0.00 C ATOM 502 O ASN A 49 -9.026 -3.644 1.053 1.00 0.00 O ATOM 503 CB ASN A 49 -9.760 -6.415 3.140 1.00 0.00 C ATOM 504 CG ASN A 49 -10.029 -5.494 4.314 1.00 0.00 C ATOM 505 OD1 ASN A 49 -9.941 -4.274 4.200 1.00 0.00 O ATOM 506 ND2 ASN A 49 -10.367 -6.075 5.453 1.00 0.00 N ATOM 0 H ASN A 49 -11.015 -6.537 0.173 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.889 -5.127 1.854 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.413 -7.285 3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.735 -6.781 3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.565 -5.506 6.276 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.429 -7.092 5.508 1.00 0.00 H new ATOM 513 N SER A 50 -7.603 -5.270 1.671 1.00 0.00 N ATOM 514 CA SER A 50 -6.411 -4.456 1.517 1.00 0.00 C ATOM 515 C SER A 50 -5.672 -4.821 0.231 1.00 0.00 C ATOM 516 O SER A 50 -5.940 -5.859 -0.376 1.00 0.00 O ATOM 517 CB SER A 50 -5.499 -4.676 2.725 1.00 0.00 C ATOM 518 OG SER A 50 -6.221 -4.540 3.938 1.00 0.00 O ATOM 0 H SER A 50 -7.417 -6.238 1.932 1.00 0.00 H new ATOM 0 HA SER A 50 -6.699 -3.406 1.457 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.053 -5.669 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.680 -3.957 2.703 1.00 0.00 H new ATOM 0 HG SER A 50 -5.732 -4.984 4.662 1.00 0.00 H new ATOM 524 N ILE A 51 -4.748 -3.958 -0.186 1.00 0.00 N ATOM 525 CA ILE A 51 -3.925 -4.223 -1.363 1.00 0.00 C ATOM 526 C ILE A 51 -2.656 -4.974 -0.975 1.00 0.00 C ATOM 527 O ILE A 51 -1.805 -5.232 -1.824 1.00 0.00 O ATOM 528 CB ILE A 51 -3.516 -2.927 -2.099 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.823 -1.951 -1.141 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.717 -2.274 -2.770 1.00 0.00 C ATOM 531 CD1 ILE A 51 -2.234 -0.743 -1.837 1.00 0.00 C ATOM 0 H ILE A 51 -4.551 -3.069 0.274 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.536 -4.828 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.805 -3.195 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.541 -1.616 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.030 -2.477 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.399 -1.365 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.149 -2.964 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.464 -2.025 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.759 -0.094 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.492 -1.069 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.026 -0.194 -2.347 1.00 0.00 H new ATOM 543 N ALA A 52 -2.543 -5.315 0.311 1.00 0.00 N ATOM 544 CA ALA A 52 -1.353 -5.975 0.851 1.00 0.00 C ATOM 545 C ALA A 52 -1.010 -7.226 0.063 1.00 0.00 C ATOM 546 O ALA A 52 0.137 -7.422 -0.334 1.00 0.00 O ATOM 547 CB ALA A 52 -1.564 -6.311 2.316 1.00 0.00 C ATOM 0 H ALA A 52 -3.271 -5.142 1.004 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.513 -5.286 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.673 -6.802 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.750 -5.395 2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.420 -6.978 2.417 1.00 0.00 H new ATOM 553 N ASP A 53 -2.007 -8.067 -0.147 1.00 0.00 N ATOM 554 CA ASP A 53 -1.877 -9.203 -1.045 1.00 0.00 C ATOM 555 C ASP A 53 -2.966 -9.130 -2.096 1.00 0.00 C ATOM 556 O ASP A 53 -4.023 -9.751 -1.970 1.00 0.00 O ATOM 557 CB ASP A 53 -1.951 -10.532 -0.292 1.00 0.00 C ATOM 558 CG ASP A 53 -0.583 -11.089 0.049 1.00 0.00 C ATOM 559 OD1 ASP A 53 0.421 -10.637 -0.544 1.00 0.00 O ATOM 560 OD2 ASP A 53 -0.505 -11.998 0.901 1.00 0.00 O ATOM 0 H ASP A 53 -2.922 -7.984 0.295 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.898 -9.158 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.521 -10.393 0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.494 -11.258 -0.897 1.00 0.00 H new ATOM 565 N SER A 54 -2.708 -8.346 -3.121 1.00 0.00 N ATOM 566 CA SER A 54 -3.698 -8.077 -4.140 1.00 0.00 C ATOM 567 C SER A 54 -3.333 -8.756 -5.457 1.00 0.00 C ATOM 568 O SER A 54 -2.157 -8.951 -5.768 1.00 0.00 O ATOM 569 CB SER A 54 -3.826 -6.570 -4.323 1.00 0.00 C ATOM 570 OG SER A 54 -2.546 -5.962 -4.403 1.00 0.00 O ATOM 0 H SER A 54 -1.813 -7.881 -3.270 1.00 0.00 H new ATOM 0 HA SER A 54 -4.657 -8.486 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.393 -6.356 -5.229 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.385 -6.144 -3.490 1.00 0.00 H new ATOM 0 HG SER A 54 -2.256 -5.691 -3.507 1.00 0.00 H new ATOM 576 N ASN A 55 -4.356 -9.118 -6.221 1.00 0.00 N ATOM 577 CA ASN A 55 -4.167 -9.836 -7.477 1.00 0.00 C ATOM 578 C ASN A 55 -4.083 -8.862 -8.644 1.00 0.00 C ATOM 579 O ASN A 55 -3.811 -9.257 -9.777 1.00 0.00 O ATOM 580 CB ASN A 55 -5.338 -10.794 -7.719 1.00 0.00 C ATOM 581 CG ASN A 55 -5.854 -11.424 -6.442 1.00 0.00 C ATOM 582 OD1 ASN A 55 -6.721 -10.858 -5.772 1.00 0.00 O ATOM 583 ND2 ASN A 55 -5.332 -12.587 -6.093 1.00 0.00 N ATOM 0 H ASN A 55 -5.331 -8.925 -5.992 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.236 -10.398 -7.406 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.150 -10.253 -8.206 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.023 -11.580 -8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.645 -13.051 -5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.617 -13.021 -6.677 1.00 0.00 H new ATOM 590 N SER A 56 -4.312 -7.586 -8.367 1.00 0.00 N ATOM 591 CA SER A 56 -4.411 -6.597 -9.423 1.00 0.00 C ATOM 592 C SER A 56 -3.054 -5.978 -9.723 1.00 0.00 C ATOM 593 O SER A 56 -2.270 -5.680 -8.819 1.00 0.00 O ATOM 594 CB SER A 56 -5.416 -5.512 -9.040 1.00 0.00 C ATOM 595 OG SER A 56 -5.518 -4.521 -10.048 1.00 0.00 O ATOM 0 H SER A 56 -4.432 -7.216 -7.424 1.00 0.00 H new ATOM 0 HA SER A 56 -4.760 -7.099 -10.325 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.394 -5.963 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.113 -5.048 -8.101 1.00 0.00 H new ATOM 0 HG SER A 56 -6.170 -3.842 -9.774 1.00 0.00 H new ATOM 601 N MET A 57 -2.796 -5.798 -11.012 1.00 0.00 N ATOM 602 CA MET A 57 -1.578 -5.162 -11.495 1.00 0.00 C ATOM 603 C MET A 57 -1.496 -3.747 -10.957 1.00 0.00 C ATOM 604 O MET A 57 -0.446 -3.290 -10.514 1.00 0.00 O ATOM 605 CB MET A 57 -1.576 -5.104 -13.025 1.00 0.00 C ATOM 606 CG MET A 57 -2.275 -6.274 -13.686 1.00 0.00 C ATOM 607 SD MET A 57 -3.692 -5.763 -14.677 1.00 0.00 S ATOM 608 CE MET A 57 -4.822 -5.192 -13.407 1.00 0.00 C ATOM 0 H MET A 57 -3.430 -6.091 -11.756 1.00 0.00 H new ATOM 0 HA MET A 57 -0.724 -5.747 -11.153 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.057 -4.179 -13.344 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.545 -5.065 -13.376 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.565 -6.806 -14.320 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.606 -6.975 -12.920 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.590 -4.564 -13.859 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.292 -6.050 -12.926 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.272 -4.615 -12.663 1.00 0.00 H new ATOM 618 N ILE A 58 -2.635 -3.070 -10.985 1.00 0.00 N ATOM 619 CA ILE A 58 -2.719 -1.683 -10.561 1.00 0.00 C ATOM 620 C ILE A 58 -2.667 -1.604 -9.030 1.00 0.00 C ATOM 621 O ILE A 58 -2.150 -0.645 -8.465 1.00 0.00 O ATOM 622 CB ILE A 58 -3.996 -1.003 -11.149 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.092 -0.797 -10.106 1.00 0.00 C ATOM 624 CG2 ILE A 58 -4.541 -1.823 -12.310 1.00 0.00 C ATOM 625 CD1 ILE A 58 -4.922 0.477 -9.312 1.00 0.00 C ATOM 0 H ILE A 58 -3.521 -3.465 -11.300 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.863 -1.131 -10.950 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.692 -0.016 -11.498 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.061 -0.781 -10.604 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.099 -1.646 -9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.431 -1.339 -12.711 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.784 -1.896 -13.091 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.798 -2.823 -11.960 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.732 0.565 -8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.967 0.454 -8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.944 1.332 -9.987 1.00 0.00 H new ATOM 637 N ALA A 59 -3.181 -2.637 -8.365 1.00 0.00 N ATOM 638 CA ALA A 59 -3.078 -2.745 -6.912 1.00 0.00 C ATOM 639 C ALA A 59 -1.609 -2.838 -6.510 1.00 0.00 C ATOM 640 O ALA A 59 -1.192 -2.318 -5.475 1.00 0.00 O ATOM 641 CB ALA A 59 -3.854 -3.961 -6.430 1.00 0.00 C ATOM 0 H ALA A 59 -3.673 -3.411 -8.810 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.508 -1.859 -6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.774 -4.037 -5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.902 -3.858 -6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.442 -4.860 -6.888 1.00 0.00 H new ATOM 647 N THR A 60 -0.831 -3.494 -7.358 1.00 0.00 N ATOM 648 CA THR A 60 0.608 -3.576 -7.186 1.00 0.00 C ATOM 649 C THR A 60 1.267 -2.244 -7.550 1.00 0.00 C ATOM 650 O THR A 60 2.215 -1.805 -6.897 1.00 0.00 O ATOM 651 CB THR A 60 1.187 -4.702 -8.057 1.00 0.00 C ATOM 652 OG1 THR A 60 0.601 -5.953 -7.670 1.00 0.00 O ATOM 653 CG2 THR A 60 2.696 -4.766 -7.922 1.00 0.00 C ATOM 0 H THR A 60 -1.180 -3.983 -8.182 1.00 0.00 H new ATOM 0 HA THR A 60 0.817 -3.796 -6.139 1.00 0.00 H new ATOM 0 HB THR A 60 0.950 -4.497 -9.101 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.328 -5.989 -7.981 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.083 -5.570 -8.547 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.130 -3.818 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.961 -4.956 -6.882 1.00 0.00 H new ATOM 661 N ASP A 61 0.745 -1.616 -8.594 1.00 0.00 N ATOM 662 CA ASP A 61 1.180 -0.284 -9.020 1.00 0.00 C ATOM 663 C ASP A 61 1.150 0.686 -7.844 1.00 0.00 C ATOM 664 O ASP A 61 2.115 1.402 -7.579 1.00 0.00 O ATOM 665 CB ASP A 61 0.252 0.243 -10.120 1.00 0.00 C ATOM 666 CG ASP A 61 0.886 1.347 -10.940 1.00 0.00 C ATOM 667 OD1 ASP A 61 1.641 1.033 -11.882 1.00 0.00 O ATOM 668 OD2 ASP A 61 0.622 2.530 -10.658 1.00 0.00 O ATOM 0 H ASP A 61 0.006 -2.013 -9.174 1.00 0.00 H new ATOM 0 HA ASP A 61 2.198 -0.362 -9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.027 -0.579 -10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.667 0.614 -9.667 1.00 0.00 H new ATOM 673 N LEU A 62 0.027 0.685 -7.139 1.00 0.00 N ATOM 674 CA LEU A 62 -0.170 1.537 -5.973 1.00 0.00 C ATOM 675 C LEU A 62 0.799 1.168 -4.852 1.00 0.00 C ATOM 676 O LEU A 62 1.262 2.025 -4.104 1.00 0.00 O ATOM 677 CB LEU A 62 -1.607 1.394 -5.473 1.00 0.00 C ATOM 678 CG LEU A 62 -2.693 1.693 -6.501 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.062 1.452 -5.894 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.572 3.121 -7.007 1.00 0.00 C ATOM 0 H LEU A 62 -0.774 0.093 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 62 0.021 2.569 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.747 0.376 -5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.745 2.060 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.566 1.023 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.832 1.668 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.143 0.411 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.197 2.103 -5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.356 3.315 -7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.677 3.813 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.597 3.260 -7.473 1.00 0.00 H new ATOM 692 N ARG A 63 1.104 -0.115 -4.741 1.00 0.00 N ATOM 693 CA ARG A 63 2.017 -0.597 -3.713 1.00 0.00 C ATOM 694 C ARG A 63 3.435 -0.093 -3.950 1.00 0.00 C ATOM 695 O ARG A 63 4.216 0.053 -3.011 1.00 0.00 O ATOM 696 CB ARG A 63 1.986 -2.121 -3.630 1.00 0.00 C ATOM 697 CG ARG A 63 0.740 -2.651 -2.939 1.00 0.00 C ATOM 698 CD ARG A 63 0.830 -4.143 -2.677 1.00 0.00 C ATOM 699 NE ARG A 63 0.690 -4.933 -3.903 1.00 0.00 N ATOM 700 CZ ARG A 63 0.801 -6.264 -3.957 1.00 0.00 C ATOM 701 NH1 ARG A 63 0.987 -6.966 -2.848 1.00 0.00 N ATOM 702 NH2 ARG A 63 0.706 -6.901 -5.118 1.00 0.00 N ATOM 0 H ARG A 63 0.733 -0.844 -5.351 1.00 0.00 H new ATOM 0 HA ARG A 63 1.680 -0.198 -2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.041 -2.536 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.869 -2.469 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.596 -2.125 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.134 -2.443 -3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.788 -4.370 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.053 -4.433 -1.970 1.00 0.00 H new ATOM 0 HE ARG A 63 0.495 -4.435 -4.772 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.046 -6.491 -1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.071 -7.981 -2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.547 -6.375 -5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.792 -7.917 -5.151 1.00 0.00 H new ATOM 716 N GLN A 64 3.768 0.171 -5.208 1.00 0.00 N ATOM 717 CA GLN A 64 5.057 0.764 -5.539 1.00 0.00 C ATOM 718 C GLN A 64 5.161 2.158 -4.933 1.00 0.00 C ATOM 719 O GLN A 64 6.232 2.573 -4.494 1.00 0.00 O ATOM 720 CB GLN A 64 5.260 0.820 -7.053 1.00 0.00 C ATOM 721 CG GLN A 64 5.227 -0.546 -7.719 1.00 0.00 C ATOM 722 CD GLN A 64 5.571 -0.492 -9.194 1.00 0.00 C ATOM 723 OE1 GLN A 64 6.328 0.372 -9.638 1.00 0.00 O ATOM 724 NE2 GLN A 64 5.025 -1.419 -9.962 1.00 0.00 N ATOM 0 H GLN A 64 3.167 -0.015 -6.011 1.00 0.00 H new ATOM 0 HA GLN A 64 5.844 0.137 -5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.486 1.449 -7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.217 1.297 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.928 -1.209 -7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.234 -0.979 -7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.403 -2.117 -9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.226 -1.436 -10.962 1.00 0.00 H new ATOM 733 N LYS A 65 4.032 2.862 -4.886 1.00 0.00 N ATOM 734 CA LYS A 65 3.973 4.169 -4.242 1.00 0.00 C ATOM 735 C LYS A 65 4.292 4.027 -2.763 1.00 0.00 C ATOM 736 O LYS A 65 5.062 4.810 -2.201 1.00 0.00 O ATOM 737 CB LYS A 65 2.591 4.796 -4.409 1.00 0.00 C ATOM 738 CG LYS A 65 2.452 6.178 -3.781 1.00 0.00 C ATOM 739 CD LYS A 65 2.952 7.263 -4.719 1.00 0.00 C ATOM 740 CE LYS A 65 4.431 7.508 -4.527 1.00 0.00 C ATOM 741 NZ LYS A 65 5.048 8.193 -5.692 1.00 0.00 N ATOM 0 H LYS A 65 3.148 2.548 -5.286 1.00 0.00 H new ATOM 0 HA LYS A 65 4.708 4.819 -4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.363 4.868 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.847 4.132 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.407 6.363 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.014 6.214 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.759 6.973 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.401 8.186 -4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.583 8.111 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.935 6.556 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.628 8.990 -5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.648 7.521 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.300 8.548 -6.322 1.00 0.00 H new ATOM 755 N VAL A 66 3.695 3.013 -2.146 1.00 0.00 N ATOM 756 CA VAL A 66 3.944 2.693 -0.749 1.00 0.00 C ATOM 757 C VAL A 66 5.443 2.520 -0.488 1.00 0.00 C ATOM 758 O VAL A 66 5.960 2.995 0.522 1.00 0.00 O ATOM 759 CB VAL A 66 3.169 1.421 -0.322 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.556 1.007 1.080 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.668 1.660 -0.407 1.00 0.00 C ATOM 0 H VAL A 66 3.026 2.392 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 66 3.584 3.528 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 66 3.433 0.614 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.001 0.112 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.625 0.797 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.321 1.813 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.138 0.757 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.392 2.482 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.397 1.913 -1.432 1.00 0.00 H new ATOM 771 N TYR A 67 6.139 1.876 -1.419 1.00 0.00 N ATOM 772 CA TYR A 67 7.575 1.663 -1.284 1.00 0.00 C ATOM 773 C TYR A 67 8.345 2.979 -1.437 1.00 0.00 C ATOM 774 O TYR A 67 9.247 3.269 -0.649 1.00 0.00 O ATOM 775 CB TYR A 67 8.073 0.634 -2.305 1.00 0.00 C ATOM 776 CG TYR A 67 9.557 0.360 -2.203 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.078 -0.356 -1.133 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.437 0.828 -3.172 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.433 -0.599 -1.029 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.793 0.586 -3.077 1.00 0.00 C ATOM 781 CZ TYR A 67 12.287 -0.126 -2.003 1.00 0.00 C ATOM 782 OH TYR A 67 13.639 -0.362 -1.899 1.00 0.00 O ATOM 0 H TYR A 67 5.733 1.493 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 67 7.759 1.274 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.528 -0.299 -2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.844 0.989 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.412 -0.729 -0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.054 1.389 -4.012 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.822 -1.156 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.464 0.952 -3.840 1.00 0.00 H new ATOM 0 HH TYR A 67 13.789 -1.190 -1.396 1.00 0.00 H new ATOM 792 N GLU A 68 7.997 3.769 -2.454 1.00 0.00 N ATOM 793 CA GLU A 68 8.639 5.070 -2.664 1.00 0.00 C ATOM 794 C GLU A 68 8.491 5.959 -1.435 1.00 0.00 C ATOM 795 O GLU A 68 9.452 6.567 -0.969 1.00 0.00 O ATOM 796 CB GLU A 68 8.039 5.796 -3.867 1.00 0.00 C ATOM 797 CG GLU A 68 8.128 5.026 -5.168 1.00 0.00 C ATOM 798 CD GLU A 68 7.789 5.893 -6.359 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.596 6.193 -6.565 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.718 6.303 -7.087 1.00 0.00 O ATOM 0 H GLU A 68 7.280 3.535 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 68 9.695 4.875 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.992 6.015 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.547 6.753 -3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.135 4.626 -5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.448 4.174 -5.133 1.00 0.00 H new ATOM 807 N LEU A 69 7.281 6.018 -0.908 1.00 0.00 N ATOM 808 CA LEU A 69 6.972 6.874 0.226 1.00 0.00 C ATOM 809 C LEU A 69 7.792 6.498 1.458 1.00 0.00 C ATOM 810 O LEU A 69 8.104 7.357 2.290 1.00 0.00 O ATOM 811 CB LEU A 69 5.480 6.800 0.525 1.00 0.00 C ATOM 812 CG LEU A 69 4.590 7.413 -0.551 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.136 7.320 -0.145 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.977 8.862 -0.794 1.00 0.00 C ATOM 0 H LEU A 69 6.487 5.477 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 69 7.239 7.899 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.200 5.755 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.286 7.306 1.471 1.00 0.00 H new ATOM 0 HG LEU A 69 4.730 6.855 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.512 7.761 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.862 6.274 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.984 7.858 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.333 9.286 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.860 9.429 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.015 8.911 -1.121 1.00 0.00 H new ATOM 826 N MET A 70 8.148 5.222 1.565 1.00 0.00 N ATOM 827 CA MET A 70 9.000 4.754 2.656 1.00 0.00 C ATOM 828 C MET A 70 10.329 5.494 2.642 1.00 0.00 C ATOM 829 O MET A 70 10.751 6.060 3.652 1.00 0.00 O ATOM 830 CB MET A 70 9.286 3.255 2.541 1.00 0.00 C ATOM 831 CG MET A 70 8.060 2.367 2.597 1.00 0.00 C ATOM 832 SD MET A 70 8.474 0.627 2.401 1.00 0.00 S ATOM 833 CE MET A 70 6.837 -0.082 2.407 1.00 0.00 C ATOM 0 H MET A 70 7.861 4.493 0.911 1.00 0.00 H new ATOM 0 HA MET A 70 8.466 4.947 3.586 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.808 3.070 1.602 1.00 0.00 H new ATOM 0 HB3 MET A 70 9.963 2.966 3.345 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.551 2.513 3.550 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.362 2.663 1.814 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.817 -0.956 1.756 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.573 -0.379 3.422 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.120 0.655 2.046 1.00 0.00 H new ATOM 843 N GLN A 71 10.979 5.509 1.481 1.00 0.00 N ATOM 844 CA GLN A 71 12.299 6.108 1.354 1.00 0.00 C ATOM 845 C GLN A 71 12.206 7.626 1.281 1.00 0.00 C ATOM 846 O GLN A 71 13.195 8.323 1.502 1.00 0.00 O ATOM 847 CB GLN A 71 13.042 5.544 0.137 1.00 0.00 C ATOM 848 CG GLN A 71 12.202 5.482 -1.124 1.00 0.00 C ATOM 849 CD GLN A 71 13.020 5.159 -2.356 1.00 0.00 C ATOM 850 OE1 GLN A 71 13.535 6.051 -3.028 1.00 0.00 O ATOM 851 NE2 GLN A 71 13.145 3.878 -2.659 1.00 0.00 N ATOM 0 H GLN A 71 10.611 5.112 0.616 1.00 0.00 H new ATOM 0 HA GLN A 71 12.871 5.851 2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.922 6.158 -0.055 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.398 4.541 0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.425 4.728 -1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.699 6.438 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.701 3.170 -2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.685 3.598 -3.478 1.00 0.00 H new ATOM 860 N GLU A 72 11.018 8.144 0.981 1.00 0.00 N ATOM 861 CA GLU A 72 10.795 9.583 1.039 1.00 0.00 C ATOM 862 C GLU A 72 10.760 10.049 2.486 1.00 0.00 C ATOM 863 O GLU A 72 11.124 11.180 2.795 1.00 0.00 O ATOM 864 CB GLU A 72 9.493 9.988 0.349 1.00 0.00 C ATOM 865 CG GLU A 72 9.485 9.736 -1.145 1.00 0.00 C ATOM 866 CD GLU A 72 8.339 10.433 -1.848 1.00 0.00 C ATOM 867 OE1 GLU A 72 8.304 11.675 -1.842 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.455 9.737 -2.396 1.00 0.00 O ATOM 0 H GLU A 72 10.205 7.596 0.699 1.00 0.00 H new ATOM 0 HA GLU A 72 11.622 10.059 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.667 9.441 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.312 11.048 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.429 10.076 -1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.420 8.663 -1.328 1.00 0.00 H new ATOM 875 N GLY A 73 10.297 9.170 3.367 1.00 0.00 N ATOM 876 CA GLY A 73 10.260 9.491 4.775 1.00 0.00 C ATOM 877 C GLY A 73 8.874 9.890 5.218 1.00 0.00 C ATOM 878 O GLY A 73 8.712 10.676 6.149 1.00 0.00 O ATOM 0 H GLY A 73 9.947 8.242 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.594 8.630 5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.957 10.303 4.982 1.00 0.00 H new ATOM 882 N LYS A 74 7.866 9.365 4.530 1.00 0.00 N ATOM 883 CA LYS A 74 6.482 9.633 4.886 1.00 0.00 C ATOM 884 C LYS A 74 6.137 8.886 6.166 1.00 0.00 C ATOM 885 O LYS A 74 6.793 7.909 6.523 1.00 0.00 O ATOM 886 CB LYS A 74 5.537 9.178 3.774 1.00 0.00 C ATOM 887 CG LYS A 74 5.903 9.698 2.395 1.00 0.00 C ATOM 888 CD LYS A 74 5.564 11.169 2.239 1.00 0.00 C ATOM 889 CE LYS A 74 6.761 11.966 1.760 1.00 0.00 C ATOM 890 NZ LYS A 74 7.746 12.206 2.845 1.00 0.00 N ATOM 0 H LYS A 74 7.984 8.752 3.723 1.00 0.00 H new ATOM 0 HA LYS A 74 6.364 10.707 5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.523 8.088 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.525 9.504 4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.969 9.550 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.374 9.121 1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.743 11.281 1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.218 11.567 3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.246 11.433 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.423 12.922 1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.377 12.988 2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.244 12.454 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.309 11.345 3.000 1.00 0.00 H new ATOM 904 N SER A 75 5.106 9.339 6.839 1.00 0.00 N ATOM 905 CA SER A 75 4.616 8.670 8.032 1.00 0.00 C ATOM 906 C SER A 75 3.587 7.626 7.619 1.00 0.00 C ATOM 907 O SER A 75 3.144 7.635 6.475 1.00 0.00 O ATOM 908 CB SER A 75 4.008 9.692 8.991 1.00 0.00 C ATOM 909 OG SER A 75 4.955 10.696 9.330 1.00 0.00 O ATOM 0 H SER A 75 4.583 10.176 6.582 1.00 0.00 H new ATOM 0 HA SER A 75 5.437 8.175 8.550 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.133 10.152 8.532 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.666 9.189 9.895 1.00 0.00 H new ATOM 0 HG SER A 75 4.543 11.340 9.943 1.00 0.00 H new ATOM 915 N LYS A 76 3.206 6.737 8.525 1.00 0.00 N ATOM 916 CA LYS A 76 2.312 5.635 8.173 1.00 0.00 C ATOM 917 C LYS A 76 1.026 6.144 7.535 1.00 0.00 C ATOM 918 O LYS A 76 0.682 5.758 6.416 1.00 0.00 O ATOM 919 CB LYS A 76 1.992 4.774 9.391 1.00 0.00 C ATOM 920 CG LYS A 76 2.934 3.590 9.584 1.00 0.00 C ATOM 921 CD LYS A 76 4.355 4.010 9.945 1.00 0.00 C ATOM 922 CE LYS A 76 5.208 4.287 8.716 1.00 0.00 C ATOM 923 NZ LYS A 76 6.602 4.643 9.090 1.00 0.00 N ATOM 0 H LYS A 76 3.497 6.753 9.502 1.00 0.00 H new ATOM 0 HA LYS A 76 2.834 5.018 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.025 5.400 10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.972 4.401 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.541 2.945 10.370 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.958 2.999 8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.320 4.904 10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.823 3.225 10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.216 3.408 8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.766 5.100 8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.156 4.826 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.595 5.496 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.031 3.857 9.618 1.00 0.00 H new ATOM 937 N LYS A 77 0.329 7.020 8.241 1.00 0.00 N ATOM 938 CA LYS A 77 -0.914 7.591 7.733 1.00 0.00 C ATOM 939 C LYS A 77 -0.622 8.510 6.561 1.00 0.00 C ATOM 940 O LYS A 77 -1.435 8.665 5.661 1.00 0.00 O ATOM 941 CB LYS A 77 -1.645 8.349 8.839 1.00 0.00 C ATOM 942 CG LYS A 77 -1.712 7.565 10.135 1.00 0.00 C ATOM 943 CD LYS A 77 -2.275 6.168 9.905 1.00 0.00 C ATOM 944 CE LYS A 77 -2.293 5.339 11.180 1.00 0.00 C ATOM 945 NZ LYS A 77 -3.335 5.802 12.130 1.00 0.00 N ATOM 0 H LYS A 77 0.600 7.352 9.166 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.559 6.781 7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.141 9.299 9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.657 8.583 8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.715 7.491 10.570 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.335 8.097 10.853 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.288 6.247 9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.678 5.657 9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.470 4.293 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.316 5.391 11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.313 5.210 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.153 6.792 12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.271 5.728 11.682 1.00 0.00 H new ATOM 959 N GLU A 78 0.550 9.113 6.590 1.00 0.00 N ATOM 960 CA GLU A 78 1.002 9.968 5.502 1.00 0.00 C ATOM 961 C GLU A 78 1.129 9.179 4.197 1.00 0.00 C ATOM 962 O GLU A 78 0.740 9.669 3.146 1.00 0.00 O ATOM 963 CB GLU A 78 2.335 10.620 5.865 1.00 0.00 C ATOM 964 CG GLU A 78 2.900 11.526 4.789 1.00 0.00 C ATOM 965 CD GLU A 78 1.999 12.702 4.479 1.00 0.00 C ATOM 966 OE1 GLU A 78 1.656 13.457 5.404 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.605 12.860 3.303 1.00 0.00 O ATOM 0 H GLU A 78 1.213 9.028 7.360 1.00 0.00 H new ATOM 0 HA GLU A 78 0.257 10.749 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.206 11.199 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.062 9.837 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.875 11.895 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.059 10.947 3.880 1.00 0.00 H new ATOM 974 N ILE A 79 1.671 7.962 4.264 1.00 0.00 N ATOM 975 CA ILE A 79 1.767 7.117 3.076 1.00 0.00 C ATOM 976 C ILE A 79 0.378 6.874 2.483 1.00 0.00 C ATOM 977 O ILE A 79 0.153 7.112 1.299 1.00 0.00 O ATOM 978 CB ILE A 79 2.451 5.745 3.353 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.975 5.856 3.260 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.967 4.697 2.359 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.701 5.869 4.590 1.00 0.00 C ATOM 0 H ILE A 79 2.045 7.545 5.116 1.00 0.00 H new ATOM 0 HA ILE A 79 2.395 7.658 2.368 1.00 0.00 H new ATOM 0 HB ILE A 79 2.180 5.444 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.349 5.021 2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.225 6.768 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.455 3.745 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.887 4.579 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.212 5.016 1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.774 5.950 4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.363 6.720 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.489 4.946 5.129 1.00 0.00 H new ATOM 993 N VAL A 80 -0.556 6.421 3.313 1.00 0.00 N ATOM 994 CA VAL A 80 -1.896 6.108 2.835 1.00 0.00 C ATOM 995 C VAL A 80 -2.653 7.378 2.442 1.00 0.00 C ATOM 996 O VAL A 80 -3.434 7.376 1.491 1.00 0.00 O ATOM 997 CB VAL A 80 -2.706 5.280 3.866 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.639 5.890 5.254 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.145 5.150 3.424 1.00 0.00 C ATOM 0 H VAL A 80 -0.411 6.264 4.310 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.778 5.490 1.945 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.256 4.289 3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.219 5.281 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.601 5.928 5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.049 6.900 5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.700 4.566 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.590 6.141 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.185 4.649 2.457 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.406 8.465 3.160 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.993 9.757 2.821 1.00 0.00 C ATOM 1011 C ASP A 81 -2.450 10.238 1.485 1.00 0.00 C ATOM 1012 O ASP A 81 -3.178 10.788 0.667 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.700 10.781 3.917 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.229 12.164 3.598 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -2.491 12.959 2.977 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -4.395 12.454 3.941 1.00 0.00 O ATOM 0 H ASP A 81 -1.803 8.479 3.982 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.074 9.642 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.140 10.438 4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.623 10.838 4.073 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.168 9.998 1.267 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.521 10.298 -0.004 1.00 0.00 C ATOM 1023 C TYR A 82 -1.218 9.523 -1.109 1.00 0.00 C ATOM 1024 O TYR A 82 -1.514 10.056 -2.182 1.00 0.00 O ATOM 1025 CB TYR A 82 0.950 9.891 0.059 1.00 0.00 C ATOM 1026 CG TYR A 82 1.827 10.561 -0.971 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.772 10.198 -2.310 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.683 11.582 -0.602 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.559 10.835 -3.252 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.468 12.229 -1.535 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.479 11.739 -2.870 1.00 0.00 C ATOM 1032 OH TYR A 82 4.176 12.506 -3.796 1.00 0.00 O ATOM 0 H TYR A 82 -0.545 9.590 1.964 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.586 11.367 -0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.336 10.121 1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.021 8.811 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.105 9.407 -2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.738 11.879 0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.434 10.605 -4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.061 13.088 -1.257 1.00 0.00 H new ATOM 0 HH TYR A 82 4.796 13.102 -3.326 1.00 0.00 H new ATOM 1042 N MET A 83 -1.481 8.258 -0.815 1.00 0.00 N ATOM 1043 CA MET A 83 -2.202 7.380 -1.721 1.00 0.00 C ATOM 1044 C MET A 83 -3.569 7.954 -2.050 1.00 0.00 C ATOM 1045 O MET A 83 -3.900 8.156 -3.211 1.00 0.00 O ATOM 1046 CB MET A 83 -2.382 6.002 -1.089 1.00 0.00 C ATOM 1047 CG MET A 83 -1.083 5.282 -0.797 1.00 0.00 C ATOM 1048 SD MET A 83 -0.232 4.765 -2.295 1.00 0.00 S ATOM 1049 CE MET A 83 -1.485 3.736 -3.049 1.00 0.00 C ATOM 0 H MET A 83 -1.200 7.813 0.059 1.00 0.00 H new ATOM 0 HA MET A 83 -1.619 7.291 -2.638 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.942 6.110 -0.160 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.985 5.385 -1.755 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.430 5.936 -0.219 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.287 4.408 -0.178 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.067 2.753 -3.266 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.328 3.629 -2.366 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.826 4.198 -3.976 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.356 8.225 -1.017 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.732 8.675 -1.201 1.00 0.00 C ATOM 1061 C VAL A 84 -5.797 10.067 -1.820 1.00 0.00 C ATOM 1062 O VAL A 84 -6.740 10.391 -2.537 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.539 8.640 0.122 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.582 7.229 0.660 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -5.959 9.567 1.180 1.00 0.00 C ATOM 0 H VAL A 84 -4.066 8.141 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.191 7.971 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.546 8.989 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.151 7.211 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.060 6.576 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.567 6.881 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.560 9.505 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.935 9.269 1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.966 10.592 0.809 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.788 10.878 -1.548 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.737 12.237 -2.065 1.00 0.00 C ATOM 1077 C ALA A 85 -4.472 12.261 -3.571 1.00 0.00 C ATOM 1078 O ALA A 85 -5.024 13.089 -4.290 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.670 13.026 -1.323 1.00 0.00 C ATOM 0 H ALA A 85 -3.989 10.618 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.710 12.700 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.634 14.044 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.910 13.052 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.700 12.549 -1.464 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.614 11.364 -4.044 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.257 11.326 -5.463 1.00 0.00 C ATOM 1087 C ARG A 86 -4.057 10.268 -6.220 1.00 0.00 C ATOM 1088 O ARG A 86 -4.596 10.525 -7.296 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.756 11.062 -5.636 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.891 12.310 -5.537 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.914 12.895 -4.139 1.00 0.00 C ATOM 1092 NE ARG A 86 -0.264 14.202 -4.080 1.00 0.00 N ATOM 1093 CZ ARG A 86 -0.803 15.276 -3.505 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -2.017 15.212 -2.977 1.00 0.00 N ATOM 1095 NH2 ARG A 86 -0.138 16.421 -3.474 1.00 0.00 N ATOM 0 H ARG A 86 -3.153 10.656 -3.472 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.502 12.302 -5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.434 10.348 -4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.590 10.593 -6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.135 12.065 -5.813 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.244 13.055 -6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.947 12.988 -3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.415 12.211 -3.452 1.00 0.00 H new ATOM 0 HE ARG A 86 0.658 14.298 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.542 14.338 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.426 16.037 -2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.791 16.483 -3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.554 17.241 -3.033 1.00 0.00 H new ATOM 1109 N TYR A 87 -4.142 9.085 -5.638 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.736 7.934 -6.298 1.00 0.00 C ATOM 1111 C TYR A 87 -6.131 7.650 -5.752 1.00 0.00 C ATOM 1112 O TYR A 87 -6.566 6.501 -5.712 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.832 6.715 -6.099 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.432 6.896 -6.653 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -2.210 6.938 -8.024 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.334 7.029 -5.805 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.938 7.107 -8.536 1.00 0.00 C ATOM 1118 CE2 TYR A 87 -0.056 7.199 -6.311 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.135 7.237 -7.679 1.00 0.00 C ATOM 1120 OH TYR A 87 1.401 7.405 -8.191 1.00 0.00 O ATOM 0 H TYR A 87 -3.802 8.894 -4.695 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.831 8.150 -7.362 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.766 6.493 -5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.293 5.850 -6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.046 6.837 -8.701 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.482 6.999 -4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.784 7.137 -9.605 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.785 7.301 -5.641 1.00 0.00 H new ATOM 0 HH TYR A 87 1.939 7.935 -7.566 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.842 8.703 -5.371 1.00 0.00 N ATOM 1131 CA GLY A 88 -8.124 8.541 -4.706 1.00 0.00 C ATOM 1132 C GLY A 88 -9.221 7.971 -5.596 1.00 0.00 C ATOM 1133 O GLY A 88 -10.341 7.758 -5.139 1.00 0.00 O ATOM 0 H GLY A 88 -6.554 9.671 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.994 7.886 -3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.448 9.509 -4.324 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.913 7.730 -6.864 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.871 7.097 -7.765 1.00 0.00 C ATOM 1139 C ASN A 89 -9.754 5.582 -7.689 1.00 0.00 C ATOM 1140 O ASN A 89 -10.612 4.853 -8.184 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.667 7.556 -9.214 1.00 0.00 C ATOM 1142 CG ASN A 89 -10.099 8.991 -9.450 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -10.979 9.512 -8.765 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -9.507 9.626 -10.447 1.00 0.00 N ATOM 0 H ASN A 89 -8.016 7.960 -7.290 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.868 7.400 -7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.614 7.452 -9.477 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.228 6.900 -9.879 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.775 10.584 -10.673 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.782 9.158 -10.991 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.686 5.117 -7.061 1.00 0.00 N ATOM 1152 CA PHE A 90 -8.426 3.686 -6.952 1.00 0.00 C ATOM 1153 C PHE A 90 -8.197 3.283 -5.501 1.00 0.00 C ATOM 1154 O PHE A 90 -8.273 2.106 -5.155 1.00 0.00 O ATOM 1155 CB PHE A 90 -7.204 3.300 -7.787 1.00 0.00 C ATOM 1156 CG PHE A 90 -7.314 3.672 -9.237 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -8.046 2.890 -10.115 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -6.685 4.809 -9.721 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -8.148 3.233 -11.450 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -6.784 5.157 -11.054 1.00 0.00 C ATOM 1161 CZ PHE A 90 -7.517 4.368 -11.919 1.00 0.00 C ATOM 0 H PHE A 90 -7.983 5.708 -6.618 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.302 3.159 -7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.322 3.781 -7.365 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.049 2.224 -7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.543 2.002 -9.752 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.111 5.429 -9.048 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.720 2.614 -12.125 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.289 6.045 -11.419 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.596 4.639 -12.961 1.00 0.00 H new ATOM 1171 N VAL A 91 -7.907 4.260 -4.655 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.604 3.989 -3.259 1.00 0.00 C ATOM 1173 C VAL A 91 -8.485 4.851 -2.354 1.00 0.00 C ATOM 1174 O VAL A 91 -8.965 5.907 -2.771 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.104 4.251 -2.938 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.255 4.216 -4.194 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -5.910 5.574 -2.235 1.00 0.00 C ATOM 0 H VAL A 91 -7.875 5.247 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.810 2.935 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.782 3.450 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.213 4.403 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.342 3.237 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.599 4.983 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.851 5.723 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.272 6.381 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.467 5.573 -1.298 1.00 0.00 H new ATOM 1187 N THR A 92 -8.713 4.394 -1.130 1.00 0.00 N ATOM 1188 CA THR A 92 -9.480 5.163 -0.158 1.00 0.00 C ATOM 1189 C THR A 92 -9.054 4.821 1.272 1.00 0.00 C ATOM 1190 O THR A 92 -8.834 3.655 1.600 1.00 0.00 O ATOM 1191 CB THR A 92 -10.993 4.906 -0.327 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.423 5.327 -1.628 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.796 5.639 0.739 1.00 0.00 C ATOM 0 H THR A 92 -8.378 3.494 -0.786 1.00 0.00 H new ATOM 0 HA THR A 92 -9.278 6.219 -0.340 1.00 0.00 H new ATOM 0 HB THR A 92 -11.166 3.836 -0.216 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.664 5.708 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.858 5.440 0.596 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.492 5.292 1.726 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.614 6.711 0.659 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.924 5.841 2.116 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.538 5.635 3.502 1.00 0.00 C ATOM 1203 C TYR A 93 -9.774 5.599 4.386 1.00 0.00 C ATOM 1204 O TYR A 93 -10.404 6.626 4.644 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.579 6.736 3.964 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.012 6.507 5.355 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.794 5.218 5.828 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -6.682 7.571 6.187 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.271 4.995 7.085 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -6.157 7.354 7.450 1.00 0.00 C ATOM 1211 CZ TYR A 93 -5.955 6.065 7.893 1.00 0.00 C ATOM 1212 OH TYR A 93 -5.430 5.843 9.151 1.00 0.00 O ATOM 0 H TYR A 93 -9.081 6.816 1.861 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.021 4.679 3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.756 6.811 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.102 7.692 3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.039 4.375 5.199 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.838 8.583 5.843 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.110 3.986 7.434 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.907 8.191 8.085 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.128 4.913 9.220 1.00 0.00 H new ATOM 1222 N ASP A 94 -10.108 4.403 4.838 1.00 0.00 N ATOM 1223 CA ASP A 94 -11.301 4.163 5.633 1.00 0.00 C ATOM 1224 C ASP A 94 -11.127 2.878 6.423 1.00 0.00 C ATOM 1225 O ASP A 94 -10.253 2.071 6.091 1.00 0.00 O ATOM 1226 CB ASP A 94 -12.532 4.031 4.728 1.00 0.00 C ATOM 1227 CG ASP A 94 -13.456 5.230 4.792 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.879 5.604 5.905 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -13.745 5.824 3.732 1.00 0.00 O ATOM 0 H ASP A 94 -9.555 3.564 4.663 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.447 5.005 6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.204 3.889 3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.088 3.137 5.011 1.00 0.00 H new ATOM 1234 N PRO A 95 -11.916 2.678 7.493 1.00 0.00 N ATOM 1235 CA PRO A 95 -12.014 1.382 8.161 1.00 0.00 C ATOM 1236 C PRO A 95 -12.267 0.284 7.130 1.00 0.00 C ATOM 1237 O PRO A 95 -13.026 0.486 6.179 1.00 0.00 O ATOM 1238 CB PRO A 95 -13.218 1.540 9.107 1.00 0.00 C ATOM 1239 CG PRO A 95 -13.843 2.853 8.763 1.00 0.00 C ATOM 1240 CD PRO A 95 -12.762 3.684 8.141 1.00 0.00 C ATOM 0 HA PRO A 95 -11.106 1.103 8.695 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.928 0.723 8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.900 1.520 10.149 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.676 2.718 8.072 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.243 3.338 9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.163 4.399 7.423 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.211 4.257 8.887 1.00 0.00 H new