USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 612 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 20 THR OG1 : rot 105:sc= 0.861 USER MOD Set 1.2: A 23 CYS SG : rot -42:sc= -1.38! USER MOD Set 2.1: A 8 GLN :FLIP amide:sc= -0.988! F(o=-2.3,f=-0.99!) USER MOD Set 2.2: A 22 MET CE :methyl -141:sc=-0.00026 (180deg=-1.27) USER MOD Single : A 1 MET CE :methyl -148:sc= -0.408 (180deg=-2.09!) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0164 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -110:sc= 1.04 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.3) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 47:sc= 1.33 USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0795) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= -0.423 (180deg=-1.08) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 2:sc= 0.709 USER MOD Single : A 59 THR OG1 : rot -80:sc= -0.656 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -157:sc= -0.0265 (180deg=-0.243) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 161:sc= -0.0711 USER MOD Single : A 75 HIS : no HD1:sc= -0.789 X(o=-0.79,f=-1) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0315 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.938 7.481 -6.478 1.00 0.00 N ATOM 2 CA MET A 1 -5.269 6.320 -5.836 1.00 0.00 C ATOM 3 C MET A 1 -5.293 6.444 -4.316 1.00 0.00 C ATOM 4 O MET A 1 -5.362 7.546 -3.774 1.00 0.00 O ATOM 5 CB MET A 1 -3.825 6.252 -6.337 1.00 0.00 C ATOM 6 CG MET A 1 -3.214 4.864 -6.242 1.00 0.00 C ATOM 7 SD MET A 1 -3.644 3.820 -7.649 1.00 0.00 S ATOM 8 CE MET A 1 -5.063 2.942 -6.998 1.00 0.00 C ATOM 0 H1 MET A 1 -6.665 7.141 -7.139 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.384 8.072 -5.748 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.234 8.044 -6.997 1.00 0.00 H new ATOM 0 HA MET A 1 -5.802 5.407 -6.101 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.793 6.584 -7.375 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.216 6.948 -5.761 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.129 4.952 -6.177 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.550 4.385 -5.322 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.101 1.942 -7.429 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.978 2.867 -5.914 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.974 3.483 -7.254 1.00 0.00 H new ATOM 20 N ARG A 2 -5.237 5.304 -3.633 1.00 0.00 N ATOM 21 CA ARG A 2 -5.253 5.289 -2.174 1.00 0.00 C ATOM 22 C ARG A 2 -4.549 4.049 -1.631 1.00 0.00 C ATOM 23 O ARG A 2 -4.469 3.024 -2.304 1.00 0.00 O ATOM 24 CB ARG A 2 -6.692 5.339 -1.652 1.00 0.00 C ATOM 25 CG ARG A 2 -7.683 4.562 -2.506 1.00 0.00 C ATOM 26 CD ARG A 2 -8.561 5.491 -3.332 1.00 0.00 C ATOM 27 NE ARG A 2 -9.979 5.317 -3.029 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.916 6.218 -3.312 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.589 7.360 -3.907 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.183 5.979 -3.002 1.00 0.00 N ATOM 0 H ARG A 2 -5.180 4.382 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.717 6.172 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.714 4.944 -0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.012 6.379 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.142 3.887 -3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.310 3.943 -1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.274 6.525 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.391 5.303 -4.392 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.269 4.452 -2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.616 7.549 -4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.311 8.048 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.440 5.104 -2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.900 6.671 -3.219 1.00 0.00 H new ATOM 44 N ILE A 3 -4.044 4.154 -0.406 1.00 0.00 N ATOM 45 CA ILE A 3 -3.346 3.048 0.244 1.00 0.00 C ATOM 46 C ILE A 3 -4.159 1.758 0.181 1.00 0.00 C ATOM 47 O ILE A 3 -3.602 0.662 0.234 1.00 0.00 O ATOM 48 CB ILE A 3 -3.037 3.386 1.717 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.321 2.213 2.410 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.316 3.774 2.450 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.243 1.250 3.134 1.00 0.00 C ATOM 0 H ILE A 3 -4.105 5.000 0.161 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.412 2.897 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.362 4.241 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.752 1.659 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.602 2.614 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.083 4.010 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.760 4.646 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.021 2.943 2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.653 0.456 3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.794 1.785 3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.946 0.815 2.423 1.00 0.00 H new ATOM 63 N ASP A 4 -5.475 1.891 0.072 1.00 0.00 N ATOM 64 CA ASP A 4 -6.353 0.728 0.010 1.00 0.00 C ATOM 65 C ASP A 4 -6.252 0.029 -1.343 1.00 0.00 C ATOM 66 O ASP A 4 -6.011 -1.173 -1.410 1.00 0.00 O ATOM 67 CB ASP A 4 -7.801 1.140 0.278 1.00 0.00 C ATOM 68 CG ASP A 4 -7.948 1.912 1.574 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.166 1.272 2.624 1.00 0.00 O ATOM 70 OD2 ASP A 4 -7.843 3.156 1.540 1.00 0.00 O ATOM 0 H ASP A 4 -5.957 2.789 0.025 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.032 0.027 0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.162 1.751 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.429 0.250 0.314 1.00 0.00 H new ATOM 75 N LYS A 5 -6.453 0.784 -2.418 1.00 0.00 N ATOM 76 CA LYS A 5 -6.396 0.226 -3.768 1.00 0.00 C ATOM 77 C LYS A 5 -4.990 0.299 -4.368 1.00 0.00 C ATOM 78 O LYS A 5 -4.760 -0.187 -5.474 1.00 0.00 O ATOM 79 CB LYS A 5 -7.382 0.962 -4.677 1.00 0.00 C ATOM 80 CG LYS A 5 -8.081 0.056 -5.679 1.00 0.00 C ATOM 81 CD LYS A 5 -9.261 0.757 -6.332 1.00 0.00 C ATOM 82 CE LYS A 5 -10.428 -0.195 -6.544 1.00 0.00 C ATOM 83 NZ LYS A 5 -11.726 0.419 -6.144 1.00 0.00 N ATOM 0 H LYS A 5 -6.657 1.783 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.668 -0.827 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.133 1.455 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.850 1.745 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.372 -0.256 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.426 -0.848 -5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.580 1.592 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.952 1.175 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.472 -0.487 -7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.264 -1.105 -5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.496 -0.262 -6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.693 0.674 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.896 1.273 -6.712 1.00 0.00 H new ATOM 97 N PHE A 6 -4.059 0.925 -3.655 1.00 0.00 N ATOM 98 CA PHE A 6 -2.692 1.072 -4.152 1.00 0.00 C ATOM 99 C PHE A 6 -1.849 -0.183 -3.932 1.00 0.00 C ATOM 100 O PHE A 6 -1.438 -0.839 -4.890 1.00 0.00 O ATOM 101 CB PHE A 6 -2.013 2.271 -3.487 1.00 0.00 C ATOM 102 CG PHE A 6 -0.680 2.613 -4.090 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.588 3.014 -5.414 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.479 2.533 -3.335 1.00 0.00 C ATOM 105 CE1 PHE A 6 0.636 3.329 -5.972 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.706 2.848 -3.889 1.00 0.00 C ATOM 107 CZ PHE A 6 1.785 3.246 -5.209 1.00 0.00 C ATOM 0 H PHE A 6 -4.223 1.337 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.763 1.234 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.670 3.138 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.880 2.061 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.483 3.081 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.423 2.221 -2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.695 3.640 -7.005 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.602 2.783 -3.290 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.743 3.492 -5.644 1.00 0.00 H new ATOM 117 N LEU A 7 -1.573 -0.501 -2.671 1.00 0.00 N ATOM 118 CA LEU A 7 -0.754 -1.666 -2.338 1.00 0.00 C ATOM 119 C LEU A 7 -1.538 -2.967 -2.474 1.00 0.00 C ATOM 120 O LEU A 7 -0.954 -4.050 -2.502 1.00 0.00 O ATOM 121 CB LEU A 7 -0.206 -1.537 -0.916 1.00 0.00 C ATOM 122 CG LEU A 7 -1.265 -1.413 0.180 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.707 -2.788 0.658 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.732 -0.589 1.342 1.00 0.00 C ATOM 0 H LEU A 7 -1.902 0.029 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 7 0.074 -1.698 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.415 -2.407 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.444 -0.663 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.133 -0.902 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.461 -2.677 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.129 -3.346 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.848 -3.328 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.498 -0.510 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.152 -1.074 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.468 0.408 0.990 1.00 0.00 H new ATOM 136 N GLN A 8 -2.857 -2.860 -2.548 1.00 0.00 N ATOM 137 CA GLN A 8 -3.709 -4.034 -2.670 1.00 0.00 C ATOM 138 C GLN A 8 -3.949 -4.399 -4.134 1.00 0.00 C ATOM 139 O GLN A 8 -4.314 -5.533 -4.445 1.00 0.00 O ATOM 140 CB GLN A 8 -5.036 -3.783 -1.962 1.00 0.00 C ATOM 141 CG GLN A 8 -4.876 -3.452 -0.487 1.00 0.00 C ATOM 142 CD GLN A 8 -6.177 -3.569 0.284 1.00 0.00 C ATOM 143 OE1 GLN A 8 -6.429 -4.748 0.842 1.00 0.00 O flip ATOM 144 NE2 GLN A 8 -6.946 -2.613 0.378 1.00 0.00 N flip ATOM 0 H GLN A 8 -3.360 -1.973 -2.526 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.201 -4.875 -2.199 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.555 -2.962 -2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.667 -4.666 -2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.136 -4.121 -0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.489 -2.438 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.713 -1.725 -0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.817 -2.708 0.901 1.00 0.00 H new ATOM 153 N SER A 9 -3.741 -3.438 -5.029 1.00 0.00 N ATOM 154 CA SER A 9 -3.935 -3.671 -6.455 1.00 0.00 C ATOM 155 C SER A 9 -2.657 -4.200 -7.100 1.00 0.00 C ATOM 156 O SER A 9 -2.688 -5.167 -7.860 1.00 0.00 O ATOM 157 CB SER A 9 -4.373 -2.382 -7.152 1.00 0.00 C ATOM 158 OG SER A 9 -3.351 -1.401 -7.100 1.00 0.00 O ATOM 0 H SER A 9 -3.439 -2.493 -4.792 1.00 0.00 H new ATOM 0 HA SER A 9 -4.717 -4.421 -6.569 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.625 -2.594 -8.191 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.276 -1.997 -6.677 1.00 0.00 H new ATOM 0 HG SER A 9 -3.625 -0.674 -6.503 1.00 0.00 H new ATOM 164 N VAL A 10 -1.535 -3.557 -6.791 1.00 0.00 N ATOM 165 CA VAL A 10 -0.245 -3.960 -7.340 1.00 0.00 C ATOM 166 C VAL A 10 0.053 -5.423 -7.033 1.00 0.00 C ATOM 167 O VAL A 10 0.760 -6.095 -7.785 1.00 0.00 O ATOM 168 CB VAL A 10 0.897 -3.089 -6.785 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.834 -1.686 -7.372 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.843 -3.042 -5.266 1.00 0.00 C ATOM 0 H VAL A 10 -1.493 -2.754 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.306 -3.824 -8.420 1.00 0.00 H new ATOM 0 HB VAL A 10 1.846 -3.538 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.649 -1.086 -6.968 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.927 -1.741 -8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.119 -1.225 -7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.658 -2.422 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.110 -2.619 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.943 -4.051 -4.867 1.00 0.00 H new ATOM 180 N GLY A 11 -0.489 -5.914 -5.923 1.00 0.00 N ATOM 181 CA GLY A 11 -0.268 -7.294 -5.535 1.00 0.00 C ATOM 182 C GLY A 11 0.614 -7.415 -4.308 1.00 0.00 C ATOM 183 O GLY A 11 1.531 -8.237 -4.273 1.00 0.00 O ATOM 0 H GLY A 11 -1.078 -5.379 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.228 -7.771 -5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.191 -7.833 -6.364 1.00 0.00 H new ATOM 187 N LEU A 12 0.337 -6.594 -3.300 1.00 0.00 N ATOM 188 CA LEU A 12 1.110 -6.612 -2.065 1.00 0.00 C ATOM 189 C LEU A 12 0.341 -7.321 -0.955 1.00 0.00 C ATOM 190 O LEU A 12 0.934 -7.960 -0.086 1.00 0.00 O ATOM 191 CB LEU A 12 1.456 -5.184 -1.637 1.00 0.00 C ATOM 192 CG LEU A 12 2.914 -4.964 -1.231 1.00 0.00 C ATOM 193 CD1 LEU A 12 3.123 -3.538 -0.745 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.324 -5.961 -0.157 1.00 0.00 C ATOM 0 H LEU A 12 -0.418 -5.908 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 12 2.034 -7.161 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.217 -4.507 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.816 -4.907 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 12 3.544 -5.124 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.166 -3.400 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.869 -2.841 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.484 -3.350 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.364 -5.790 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.689 -5.833 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.213 -6.975 -0.540 1.00 0.00 H new ATOM 206 N VAL A 13 -0.982 -7.205 -0.992 1.00 0.00 N ATOM 207 CA VAL A 13 -1.832 -7.835 0.010 1.00 0.00 C ATOM 208 C VAL A 13 -2.290 -9.217 -0.447 1.00 0.00 C ATOM 209 O VAL A 13 -2.390 -9.484 -1.645 1.00 0.00 O ATOM 210 CB VAL A 13 -3.068 -6.970 0.326 1.00 0.00 C ATOM 211 CG1 VAL A 13 -3.968 -6.844 -0.895 1.00 0.00 C ATOM 212 CG2 VAL A 13 -3.837 -7.549 1.503 1.00 0.00 C ATOM 0 H VAL A 13 -1.488 -6.680 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.232 -7.937 0.914 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.725 -5.971 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.833 -6.229 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.413 -6.378 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.303 -7.834 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.706 -6.925 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.165 -8.560 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.191 -7.577 2.381 1.00 0.00 H new ATOM 337 N THR A 20 -11.610 -4.097 3.723 1.00 0.00 N ATOM 338 CA THR A 20 -10.397 -3.452 4.214 1.00 0.00 C ATOM 339 C THR A 20 -10.247 -3.658 5.719 1.00 0.00 C ATOM 340 O THR A 20 -10.987 -3.072 6.511 1.00 0.00 O ATOM 341 CB THR A 20 -10.420 -1.958 3.891 1.00 0.00 C ATOM 342 OG1 THR A 20 -11.398 -1.292 4.671 1.00 0.00 O ATOM 343 CG2 THR A 20 -10.716 -1.662 2.438 1.00 0.00 C ATOM 0 HA THR A 20 -9.543 -3.909 3.714 1.00 0.00 H new ATOM 0 HB THR A 20 -9.417 -1.599 4.121 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.957 -0.782 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.717 -0.584 2.279 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.952 -2.120 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.693 -2.068 2.176 1.00 0.00 H new ATOM 351 N ASP A 21 -9.290 -4.493 6.107 1.00 0.00 N ATOM 352 CA ASP A 21 -9.049 -4.777 7.518 1.00 0.00 C ATOM 353 C ASP A 21 -7.871 -3.965 8.048 1.00 0.00 C ATOM 354 O ASP A 21 -7.818 -3.632 9.231 1.00 0.00 O ATOM 355 CB ASP A 21 -8.786 -6.270 7.719 1.00 0.00 C ATOM 356 CG ASP A 21 -9.937 -7.131 7.236 1.00 0.00 C ATOM 357 OD1 ASP A 21 -9.949 -7.487 6.039 1.00 0.00 O ATOM 358 OD2 ASP A 21 -10.827 -7.446 8.054 1.00 0.00 O ATOM 0 H ASP A 21 -8.668 -4.985 5.465 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.940 -4.491 8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.878 -6.551 7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.609 -6.466 8.777 1.00 0.00 H new ATOM 363 N MET A 22 -6.927 -3.652 7.166 1.00 0.00 N ATOM 364 CA MET A 22 -5.748 -2.880 7.548 1.00 0.00 C ATOM 365 C MET A 22 -6.146 -1.546 8.171 1.00 0.00 C ATOM 366 O MET A 22 -5.614 -1.150 9.208 1.00 0.00 O ATOM 367 CB MET A 22 -4.854 -2.641 6.330 1.00 0.00 C ATOM 368 CG MET A 22 -3.788 -3.708 6.138 1.00 0.00 C ATOM 369 SD MET A 22 -4.456 -5.243 5.467 1.00 0.00 S ATOM 370 CE MET A 22 -4.572 -4.830 3.728 1.00 0.00 C ATOM 0 H MET A 22 -6.955 -3.921 6.182 1.00 0.00 H new ATOM 0 HA MET A 22 -5.194 -3.454 8.291 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.476 -2.596 5.436 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.370 -1.670 6.430 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.016 -3.329 5.468 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.308 -3.913 7.095 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.487 -5.253 3.314 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.588 -3.746 3.612 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.712 -5.239 3.199 1.00 0.00 H new ATOM 380 N CYS A 23 -7.082 -0.855 7.530 1.00 0.00 N ATOM 381 CA CYS A 23 -7.551 0.437 8.020 1.00 0.00 C ATOM 382 C CYS A 23 -8.241 0.294 9.374 1.00 0.00 C ATOM 383 O CYS A 23 -8.260 1.230 10.173 1.00 0.00 O ATOM 384 CB CYS A 23 -8.508 1.071 7.008 1.00 0.00 C ATOM 385 SG CYS A 23 -10.069 0.182 6.806 1.00 0.00 S ATOM 0 H CYS A 23 -7.531 -1.168 6.669 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.684 1.085 8.146 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.723 2.093 7.319 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.009 1.130 6.041 1.00 0.00 H new ATOM 0 HG CYS A 23 -9.838 -1.097 6.765 1.00 0.00 H new ATOM 391 N ASN A 24 -8.809 -0.882 9.624 1.00 0.00 N ATOM 392 CA ASN A 24 -9.503 -1.142 10.880 1.00 0.00 C ATOM 393 C ASN A 24 -8.521 -1.553 11.974 1.00 0.00 C ATOM 394 O ASN A 24 -8.515 -0.981 13.064 1.00 0.00 O ATOM 395 CB ASN A 24 -10.557 -2.234 10.688 1.00 0.00 C ATOM 396 CG ASN A 24 -11.857 -1.914 11.398 1.00 0.00 C ATOM 397 OD1 ASN A 24 -12.848 -1.545 10.768 1.00 0.00 O ATOM 398 ND2 ASN A 24 -11.860 -2.054 12.719 1.00 0.00 N ATOM 0 H ASN A 24 -8.802 -1.668 8.974 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.996 -0.220 11.189 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.750 -2.365 9.623 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.167 -3.181 11.060 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.707 -1.853 13.251 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.016 -2.363 13.201 1.00 0.00 H new ATOM 405 N VAL A 25 -7.693 -2.549 11.675 1.00 0.00 N ATOM 406 CA VAL A 25 -6.707 -3.037 12.634 1.00 0.00 C ATOM 407 C VAL A 25 -5.769 -1.921 13.079 1.00 0.00 C ATOM 408 O VAL A 25 -5.263 -1.932 14.201 1.00 0.00 O ATOM 409 CB VAL A 25 -5.872 -4.189 12.044 1.00 0.00 C ATOM 410 CG1 VAL A 25 -6.750 -5.401 11.772 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.163 -3.740 10.776 1.00 0.00 C ATOM 0 H VAL A 25 -7.685 -3.034 10.778 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.263 -3.404 13.497 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.115 -4.475 12.774 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.142 -6.204 11.355 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.206 -5.736 12.704 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.532 -5.132 11.062 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.578 -4.567 10.374 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.901 -3.425 10.038 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.501 -2.905 11.006 1.00 0.00 H new ATOM 421 N GLY A 26 -5.539 -0.958 12.193 1.00 0.00 N ATOM 422 CA GLY A 26 -4.661 0.152 12.514 1.00 0.00 C ATOM 423 C GLY A 26 -3.303 0.028 11.851 1.00 0.00 C ATOM 424 O GLY A 26 -2.286 0.411 12.428 1.00 0.00 O ATOM 0 H GLY A 26 -5.945 -0.926 11.258 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.131 1.085 12.202 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.531 0.207 13.595 1.00 0.00 H new ATOM 428 N ALA A 27 -3.288 -0.509 10.636 1.00 0.00 N ATOM 429 CA ALA A 27 -2.046 -0.681 9.893 1.00 0.00 C ATOM 430 C ALA A 27 -1.847 0.449 8.890 1.00 0.00 C ATOM 431 O ALA A 27 -0.718 0.857 8.614 1.00 0.00 O ATOM 432 CB ALA A 27 -2.040 -2.027 9.183 1.00 0.00 C ATOM 0 H ALA A 27 -4.122 -0.832 10.145 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.219 -0.652 10.602 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.107 -2.143 8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.129 -2.827 9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.880 -2.076 8.490 1.00 0.00 H new ATOM 438 N VAL A 28 -2.950 0.954 8.348 1.00 0.00 N ATOM 439 CA VAL A 28 -2.898 2.039 7.377 1.00 0.00 C ATOM 440 C VAL A 28 -2.346 3.313 8.008 1.00 0.00 C ATOM 441 O VAL A 28 -2.981 3.912 8.877 1.00 0.00 O ATOM 442 CB VAL A 28 -4.292 2.329 6.786 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.215 3.428 5.738 1.00 0.00 C ATOM 444 CG2 VAL A 28 -4.895 1.064 6.197 1.00 0.00 C ATOM 0 H VAL A 28 -3.892 0.628 8.566 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.233 1.718 6.575 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.940 2.675 7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.210 3.616 5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.830 4.340 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.550 3.117 4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.879 1.288 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.247 0.686 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.992 0.310 6.978 1.00 0.00 H new ATOM 454 N TRP A 29 -1.163 3.720 7.565 1.00 0.00 N ATOM 455 CA TRP A 29 -0.524 4.923 8.084 1.00 0.00 C ATOM 456 C TRP A 29 0.180 5.683 6.966 1.00 0.00 C ATOM 457 O TRP A 29 1.231 5.265 6.482 1.00 0.00 O ATOM 458 CB TRP A 29 0.476 4.564 9.184 1.00 0.00 C ATOM 459 CG TRP A 29 -0.168 4.320 10.515 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.035 3.316 10.834 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.004 5.094 11.708 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.414 3.418 12.150 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.788 4.502 12.709 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.753 6.231 12.027 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.854 5.008 14.005 1.00 0.00 C ATOM 466 CZ3 TRP A 29 0.688 6.732 13.314 1.00 0.00 C ATOM 467 CH2 TRP A 29 -0.111 6.121 14.289 1.00 0.00 C ATOM 0 H TRP A 29 -0.626 3.234 6.847 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.298 5.564 8.507 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.028 3.672 8.887 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.202 5.371 9.282 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.374 2.552 10.150 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.056 2.790 12.633 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.371 6.709 11.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.469 4.539 14.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.263 7.609 13.572 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.141 6.537 15.285 1.00 0.00 H new ATOM 478 N LEU A 30 -0.412 6.799 6.557 1.00 0.00 N ATOM 479 CA LEU A 30 0.150 7.619 5.490 1.00 0.00 C ATOM 480 C LEU A 30 1.176 8.608 6.036 1.00 0.00 C ATOM 481 O LEU A 30 0.876 9.398 6.931 1.00 0.00 O ATOM 482 CB LEU A 30 -0.964 8.373 4.761 1.00 0.00 C ATOM 483 CG LEU A 30 -0.809 8.450 3.242 1.00 0.00 C ATOM 484 CD1 LEU A 30 -2.168 8.407 2.563 1.00 0.00 C ATOM 485 CD2 LEU A 30 -0.054 9.711 2.846 1.00 0.00 C ATOM 0 H LEU A 30 -1.283 7.157 6.949 1.00 0.00 H new ATOM 0 HA LEU A 30 0.655 6.956 4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.916 7.894 4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.015 9.387 5.157 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.233 7.586 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.037 8.463 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.674 7.476 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.770 9.251 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.047 9.749 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.603 10.587 3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.936 9.701 3.302 1.00 0.00 H new ATOM 497 N ASN A 31 2.387 8.560 5.487 1.00 0.00 N ATOM 498 CA ASN A 31 3.460 9.454 5.912 1.00 0.00 C ATOM 499 C ASN A 31 3.657 9.398 7.425 1.00 0.00 C ATOM 500 O ASN A 31 3.932 10.414 8.064 1.00 0.00 O ATOM 501 CB ASN A 31 3.156 10.890 5.470 1.00 0.00 C ATOM 502 CG ASN A 31 4.105 11.375 4.391 1.00 0.00 C ATOM 503 OD1 ASN A 31 4.651 10.581 3.625 1.00 0.00 O ATOM 504 ND2 ASN A 31 4.306 12.687 4.327 1.00 0.00 N ATOM 0 H ASN A 31 2.650 7.910 4.746 1.00 0.00 H new ATOM 0 HA ASN A 31 4.385 9.123 5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.132 10.945 5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.220 11.554 6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.934 13.073 3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.832 13.308 4.983 1.00 0.00 H new ATOM 511 N GLY A 32 3.516 8.205 7.992 1.00 0.00 N ATOM 512 CA GLY A 32 3.682 8.042 9.424 1.00 0.00 C ATOM 513 C GLY A 32 2.524 8.624 10.211 1.00 0.00 C ATOM 514 O GLY A 32 2.696 9.061 11.349 1.00 0.00 O ATOM 0 H GLY A 32 3.290 7.349 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.780 6.982 9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.608 8.524 9.737 1.00 0.00 H new ATOM 518 N SER A 33 1.343 8.630 9.603 1.00 0.00 N ATOM 519 CA SER A 33 0.151 9.162 10.254 1.00 0.00 C ATOM 520 C SER A 33 -1.067 8.298 9.944 1.00 0.00 C ATOM 521 O SER A 33 -1.187 7.747 8.850 1.00 0.00 O ATOM 522 CB SER A 33 -0.103 10.601 9.802 1.00 0.00 C ATOM 523 OG SER A 33 1.066 11.392 9.938 1.00 0.00 O ATOM 0 H SER A 33 1.185 8.273 8.661 1.00 0.00 H new ATOM 0 HA SER A 33 0.319 9.151 11.331 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.431 10.607 8.762 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.910 11.034 10.393 1.00 0.00 H new ATOM 0 HG SER A 33 0.878 12.307 9.641 1.00 0.00 H new ATOM 529 N CYS A 34 -1.968 8.182 10.915 1.00 0.00 N ATOM 530 CA CYS A 34 -3.177 7.382 10.749 1.00 0.00 C ATOM 531 C CYS A 34 -3.961 7.825 9.517 1.00 0.00 C ATOM 532 O CYS A 34 -4.071 9.017 9.233 1.00 0.00 O ATOM 533 CB CYS A 34 -4.057 7.488 11.996 1.00 0.00 C ATOM 534 SG CYS A 34 -4.046 6.008 13.035 1.00 0.00 S ATOM 0 H CYS A 34 -1.883 8.633 11.826 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.879 6.343 10.610 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.725 8.339 12.591 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.082 7.695 11.688 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.821 5.608 13.207 1.00 0.00 H new ATOM 540 N ALA A 35 -4.506 6.856 8.789 1.00 0.00 N ATOM 541 CA ALA A 35 -5.281 7.145 7.588 1.00 0.00 C ATOM 542 C ALA A 35 -6.347 6.080 7.352 1.00 0.00 C ATOM 543 O ALA A 35 -6.053 4.885 7.344 1.00 0.00 O ATOM 544 CB ALA A 35 -4.363 7.251 6.380 1.00 0.00 C ATOM 0 H ALA A 35 -4.425 5.863 9.010 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.785 8.101 7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.955 7.467 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.643 8.053 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.832 6.309 6.242 1.00 0.00 H new ATOM 550 N LYS A 36 -7.584 6.523 7.157 1.00 0.00 N ATOM 551 CA LYS A 36 -8.695 5.609 6.918 1.00 0.00 C ATOM 552 C LYS A 36 -8.506 4.858 5.605 1.00 0.00 C ATOM 553 O LYS A 36 -7.418 4.857 5.028 1.00 0.00 O ATOM 554 CB LYS A 36 -10.018 6.377 6.898 1.00 0.00 C ATOM 555 CG LYS A 36 -11.160 5.639 7.579 1.00 0.00 C ATOM 556 CD LYS A 36 -11.540 6.291 8.899 1.00 0.00 C ATOM 557 CE LYS A 36 -10.678 5.780 10.042 1.00 0.00 C ATOM 558 NZ LYS A 36 -11.058 4.399 10.451 1.00 0.00 N ATOM 0 H LYS A 36 -7.843 7.510 7.160 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.719 4.882 7.730 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.876 7.341 7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.294 6.582 5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.027 5.621 6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.871 4.603 7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.432 7.372 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.589 6.091 9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.631 5.794 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.773 6.451 10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.595 4.164 11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.090 4.343 10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.755 3.725 9.720 1.00 0.00 H new ATOM 572 N ALA A 37 -9.573 4.217 5.135 1.00 0.00 N ATOM 573 CA ALA A 37 -9.525 3.464 3.890 1.00 0.00 C ATOM 574 C ALA A 37 -10.036 4.299 2.720 1.00 0.00 C ATOM 575 O ALA A 37 -10.568 3.763 1.748 1.00 0.00 O ATOM 576 CB ALA A 37 -10.335 2.184 4.020 1.00 0.00 C ATOM 0 H ALA A 37 -10.481 4.205 5.600 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.485 3.207 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.292 1.629 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.923 1.573 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.372 2.431 4.248 1.00 0.00 H new ATOM 582 N SER A 38 -9.870 5.613 2.821 1.00 0.00 N ATOM 583 CA SER A 38 -10.312 6.524 1.772 1.00 0.00 C ATOM 584 C SER A 38 -9.389 7.735 1.679 1.00 0.00 C ATOM 585 O SER A 38 -9.809 8.817 1.270 1.00 0.00 O ATOM 586 CB SER A 38 -11.748 6.984 2.038 1.00 0.00 C ATOM 587 OG SER A 38 -12.536 6.901 0.864 1.00 0.00 O ATOM 0 H SER A 38 -9.432 6.072 3.620 1.00 0.00 H new ATOM 0 HA SER A 38 -10.278 5.989 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.191 6.369 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.742 8.011 2.404 1.00 0.00 H new ATOM 0 HG SER A 38 -13.449 7.199 1.061 1.00 0.00 H new ATOM 593 N LYS A 39 -8.131 7.546 2.062 1.00 0.00 N ATOM 594 CA LYS A 39 -7.152 8.626 2.022 1.00 0.00 C ATOM 595 C LYS A 39 -6.264 8.509 0.787 1.00 0.00 C ATOM 596 O LYS A 39 -5.566 7.512 0.603 1.00 0.00 O ATOM 597 CB LYS A 39 -6.292 8.611 3.287 1.00 0.00 C ATOM 598 CG LYS A 39 -7.100 8.540 4.572 1.00 0.00 C ATOM 599 CD LYS A 39 -7.991 9.760 4.737 1.00 0.00 C ATOM 600 CE LYS A 39 -9.105 9.505 5.740 1.00 0.00 C ATOM 601 NZ LYS A 39 -8.658 9.745 7.139 1.00 0.00 N ATOM 0 H LYS A 39 -7.766 6.657 2.403 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.692 9.571 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.615 7.758 3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.673 9.508 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.713 7.638 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.425 8.463 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.391 10.608 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.423 10.030 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.952 10.152 5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.454 8.477 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.307 9.268 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.697 9.368 7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.657 10.767 7.333 1.00 0.00 H new ATOM 615 N GLU A 40 -6.295 9.537 -0.056 1.00 0.00 N ATOM 616 CA GLU A 40 -5.491 9.550 -1.273 1.00 0.00 C ATOM 617 C GLU A 40 -4.003 9.524 -0.942 1.00 0.00 C ATOM 618 O GLU A 40 -3.597 9.881 0.163 1.00 0.00 O ATOM 619 CB GLU A 40 -5.817 10.788 -2.112 1.00 0.00 C ATOM 620 CG GLU A 40 -5.543 12.099 -1.392 1.00 0.00 C ATOM 621 CD GLU A 40 -6.314 13.261 -1.985 1.00 0.00 C ATOM 622 OE1 GLU A 40 -7.466 13.490 -1.558 1.00 0.00 O ATOM 623 OE2 GLU A 40 -5.767 13.944 -2.877 1.00 0.00 O ATOM 0 H GLU A 40 -6.867 10.370 0.081 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.733 8.656 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.232 10.758 -3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.867 10.754 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.805 11.993 -0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.476 12.316 -1.434 1.00 0.00 H new ATOM 630 N VAL A 41 -3.194 9.099 -1.908 1.00 0.00 N ATOM 631 CA VAL A 41 -1.750 9.028 -1.717 1.00 0.00 C ATOM 632 C VAL A 41 -1.012 9.759 -2.833 1.00 0.00 C ATOM 633 O VAL A 41 -1.613 10.163 -3.828 1.00 0.00 O ATOM 634 CB VAL A 41 -1.262 7.567 -1.662 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.861 6.846 -0.463 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.601 6.839 -2.954 1.00 0.00 C ATOM 0 H VAL A 41 -3.514 8.799 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.532 9.511 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.178 7.572 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.504 5.816 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.560 7.353 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.948 6.852 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.248 5.809 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.681 6.845 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.117 7.341 -3.792 1.00 0.00 H new ATOM 646 N LYS A 42 0.295 9.927 -2.659 1.00 0.00 N ATOM 647 CA LYS A 42 1.116 10.610 -3.652 1.00 0.00 C ATOM 648 C LYS A 42 2.410 9.845 -3.907 1.00 0.00 C ATOM 649 O LYS A 42 2.669 8.817 -3.281 1.00 0.00 O ATOM 650 CB LYS A 42 1.435 12.032 -3.188 1.00 0.00 C ATOM 651 CG LYS A 42 0.385 13.054 -3.592 1.00 0.00 C ATOM 652 CD LYS A 42 0.713 14.434 -3.044 1.00 0.00 C ATOM 653 CE LYS A 42 0.235 15.533 -3.980 1.00 0.00 C ATOM 654 NZ LYS A 42 0.087 16.836 -3.276 1.00 0.00 N ATOM 0 H LYS A 42 0.808 9.600 -1.840 1.00 0.00 H new ATOM 0 HA LYS A 42 0.552 10.656 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.536 12.037 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.399 12.332 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.319 13.099 -4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.592 12.738 -3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.247 14.559 -2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.790 14.522 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.942 15.643 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.721 15.246 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.240 17.559 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.607 16.738 -2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.005 17.123 -2.880 1.00 0.00 H new ATOM 668 N ALA A 43 3.220 10.351 -4.829 1.00 0.00 N ATOM 669 CA ALA A 43 4.487 9.715 -5.166 1.00 0.00 C ATOM 670 C ALA A 43 5.565 10.073 -4.151 1.00 0.00 C ATOM 671 O ALA A 43 5.498 11.113 -3.497 1.00 0.00 O ATOM 672 CB ALA A 43 4.923 10.116 -6.567 1.00 0.00 C ATOM 0 H ALA A 43 3.021 11.201 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 43 4.343 8.635 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.871 9.633 -6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.166 9.804 -7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.045 11.198 -6.614 1.00 0.00 H new ATOM 678 N GLY A 44 6.561 9.202 -4.022 1.00 0.00 N ATOM 679 CA GLY A 44 7.641 9.443 -3.084 1.00 0.00 C ATOM 680 C GLY A 44 7.148 9.583 -1.657 1.00 0.00 C ATOM 681 O GLY A 44 7.712 10.342 -0.869 1.00 0.00 O ATOM 0 H GLY A 44 6.639 8.333 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.356 8.622 -3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.173 10.350 -3.372 1.00 0.00 H new ATOM 685 N ASP A 45 6.092 8.848 -1.323 1.00 0.00 N ATOM 686 CA ASP A 45 5.522 8.894 0.018 1.00 0.00 C ATOM 687 C ASP A 45 5.808 7.601 0.775 1.00 0.00 C ATOM 688 O ASP A 45 6.154 6.584 0.175 1.00 0.00 O ATOM 689 CB ASP A 45 4.012 9.133 -0.054 1.00 0.00 C ATOM 690 CG ASP A 45 3.654 10.603 0.040 1.00 0.00 C ATOM 691 OD1 ASP A 45 4.484 11.385 0.550 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.544 10.973 -0.396 1.00 0.00 O ATOM 0 H ASP A 45 5.614 8.214 -1.963 1.00 0.00 H new ATOM 0 HA ASP A 45 5.988 9.720 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.627 8.727 -0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.522 8.590 0.754 1.00 0.00 H new ATOM 697 N THR A 46 5.665 7.648 2.095 1.00 0.00 N ATOM 698 CA THR A 46 5.910 6.481 2.933 1.00 0.00 C ATOM 699 C THR A 46 4.608 5.757 3.259 1.00 0.00 C ATOM 700 O THR A 46 3.578 6.387 3.499 1.00 0.00 O ATOM 701 CB THR A 46 6.615 6.894 4.225 1.00 0.00 C ATOM 702 OG1 THR A 46 7.565 7.914 3.974 1.00 0.00 O ATOM 703 CG2 THR A 46 7.336 5.750 4.903 1.00 0.00 C ATOM 0 H THR A 46 5.380 8.483 2.608 1.00 0.00 H new ATOM 0 HA THR A 46 6.553 5.798 2.378 1.00 0.00 H new ATOM 0 HB THR A 46 5.824 7.247 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.004 8.166 4.813 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.815 6.110 5.813 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.621 4.967 5.155 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.093 5.347 4.230 1.00 0.00 H new ATOM 711 N ILE A 47 4.663 4.430 3.267 1.00 0.00 N ATOM 712 CA ILE A 47 3.492 3.615 3.565 1.00 0.00 C ATOM 713 C ILE A 47 3.766 2.682 4.741 1.00 0.00 C ATOM 714 O ILE A 47 4.403 1.641 4.584 1.00 0.00 O ATOM 715 CB ILE A 47 3.064 2.779 2.342 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.838 3.687 1.131 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.806 1.981 2.653 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.678 4.644 1.301 1.00 0.00 C ATOM 0 H ILE A 47 5.509 3.895 3.070 1.00 0.00 H new ATOM 0 HA ILE A 47 2.683 4.297 3.825 1.00 0.00 H new ATOM 0 HB ILE A 47 3.864 2.077 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.746 4.260 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.662 3.068 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.520 1.398 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.999 1.310 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.997 2.664 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.577 5.256 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.760 4.078 1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.861 5.288 2.161 1.00 0.00 H new ATOM 730 N SER A 48 3.282 3.062 5.919 1.00 0.00 N ATOM 731 CA SER A 48 3.479 2.260 7.121 1.00 0.00 C ATOM 732 C SER A 48 2.461 1.127 7.198 1.00 0.00 C ATOM 733 O SER A 48 1.363 1.227 6.651 1.00 0.00 O ATOM 734 CB SER A 48 3.378 3.140 8.369 1.00 0.00 C ATOM 735 OG SER A 48 4.662 3.526 8.826 1.00 0.00 O ATOM 0 H SER A 48 2.751 3.920 6.067 1.00 0.00 H new ATOM 0 HA SER A 48 4.476 1.822 7.073 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.786 4.028 8.145 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.855 2.599 9.158 1.00 0.00 H new ATOM 0 HG SER A 48 4.570 4.089 9.623 1.00 0.00 H new ATOM 741 N LEU A 49 2.835 0.050 7.881 1.00 0.00 N ATOM 742 CA LEU A 49 1.958 -1.104 8.033 1.00 0.00 C ATOM 743 C LEU A 49 2.230 -1.821 9.352 1.00 0.00 C ATOM 744 O LEU A 49 3.359 -2.227 9.628 1.00 0.00 O ATOM 745 CB LEU A 49 2.147 -2.073 6.864 1.00 0.00 C ATOM 746 CG LEU A 49 1.328 -1.746 5.613 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.174 -0.983 4.605 1.00 0.00 C ATOM 748 CD2 LEU A 49 0.773 -3.018 4.990 1.00 0.00 C ATOM 0 H LEU A 49 3.741 -0.047 8.339 1.00 0.00 H new ATOM 0 HA LEU A 49 0.927 -0.749 8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.203 -2.091 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.886 -3.077 7.198 1.00 0.00 H new ATOM 0 HG LEU A 49 0.490 -1.114 5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.575 -0.759 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.522 -0.052 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.032 -1.590 4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.194 -2.765 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.596 -3.676 4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.131 -3.526 5.710 1.00 0.00 H new ATOM 760 N HIS A 50 1.189 -1.973 10.161 1.00 0.00 N ATOM 761 CA HIS A 50 1.314 -2.641 11.452 1.00 0.00 C ATOM 762 C HIS A 50 0.979 -4.124 11.333 1.00 0.00 C ATOM 763 O HIS A 50 -0.113 -4.492 10.902 1.00 0.00 O ATOM 764 CB HIS A 50 0.398 -1.979 12.483 1.00 0.00 C ATOM 765 CG HIS A 50 0.748 -2.318 13.899 1.00 0.00 C ATOM 766 ND1 HIS A 50 0.164 -3.359 14.591 1.00 0.00 N ATOM 767 CD2 HIS A 50 1.631 -1.748 14.754 1.00 0.00 C ATOM 768 CE1 HIS A 50 0.670 -3.413 15.811 1.00 0.00 C ATOM 769 NE2 HIS A 50 1.562 -2.448 15.933 1.00 0.00 N ATOM 0 H HIS A 50 0.248 -1.643 9.947 1.00 0.00 H new ATOM 0 HA HIS A 50 2.348 -2.547 11.783 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.442 -0.897 12.355 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.631 -2.281 12.289 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.269 -0.902 14.547 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.400 -4.125 16.577 1.00 0.00 H new ATOM 0 HE2 HIS A 50 2.112 -2.253 16.770 1.00 0.00 H new ATOM 778 N TYR A 51 1.928 -4.971 11.718 1.00 0.00 N ATOM 779 CA TYR A 51 1.734 -6.414 11.656 1.00 0.00 C ATOM 780 C TYR A 51 2.203 -7.081 12.945 1.00 0.00 C ATOM 781 O TYR A 51 2.934 -6.484 13.735 1.00 0.00 O ATOM 782 CB TYR A 51 2.488 -7.001 10.461 1.00 0.00 C ATOM 783 CG TYR A 51 1.733 -6.895 9.156 1.00 0.00 C ATOM 784 CD1 TYR A 51 1.479 -5.658 8.576 1.00 0.00 C ATOM 785 CD2 TYR A 51 1.274 -8.032 8.503 1.00 0.00 C ATOM 786 CE1 TYR A 51 0.788 -5.558 7.382 1.00 0.00 C ATOM 787 CE2 TYR A 51 0.584 -7.940 7.308 1.00 0.00 C ATOM 788 CZ TYR A 51 0.343 -6.701 6.753 1.00 0.00 C ATOM 789 OH TYR A 51 -0.344 -6.605 5.565 1.00 0.00 O ATOM 0 H TYR A 51 2.839 -4.683 12.076 1.00 0.00 H new ATOM 0 HA TYR A 51 0.668 -6.607 11.534 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.445 -6.490 10.360 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.707 -8.050 10.660 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.827 -4.760 9.065 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.459 -9.004 8.936 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.598 -4.589 6.945 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.236 -8.834 6.812 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.586 -7.502 5.253 1.00 0.00 H new ATOM 799 N LEU A 52 1.780 -8.324 13.150 1.00 0.00 N ATOM 800 CA LEU A 52 2.157 -9.073 14.343 1.00 0.00 C ATOM 801 C LEU A 52 3.668 -9.275 14.403 1.00 0.00 C ATOM 802 O LEU A 52 4.261 -9.277 15.482 1.00 0.00 O ATOM 803 CB LEU A 52 1.448 -10.429 14.365 1.00 0.00 C ATOM 804 CG LEU A 52 1.633 -11.277 13.105 1.00 0.00 C ATOM 805 CD1 LEU A 52 2.781 -12.257 13.287 1.00 0.00 C ATOM 806 CD2 LEU A 52 0.348 -12.017 12.766 1.00 0.00 C ATOM 0 H LEU A 52 1.176 -8.834 12.505 1.00 0.00 H new ATOM 0 HA LEU A 52 1.850 -8.497 15.216 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.809 -10.997 15.223 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.382 -10.262 14.519 1.00 0.00 H new ATOM 0 HG LEU A 52 1.876 -10.613 12.275 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.898 -12.852 12.381 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.702 -11.707 13.482 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.567 -12.916 14.129 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.499 -12.615 11.867 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.075 -12.670 13.595 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.452 -11.297 12.593 1.00 0.00 H new ATOM 818 N LYS A 53 4.284 -9.444 13.239 1.00 0.00 N ATOM 819 CA LYS A 53 5.726 -9.646 13.159 1.00 0.00 C ATOM 820 C LYS A 53 6.470 -8.324 13.321 1.00 0.00 C ATOM 821 O LYS A 53 7.587 -8.288 13.837 1.00 0.00 O ATOM 822 CB LYS A 53 6.100 -10.295 11.825 1.00 0.00 C ATOM 823 CG LYS A 53 5.598 -9.527 10.614 1.00 0.00 C ATOM 824 CD LYS A 53 6.300 -9.974 9.341 1.00 0.00 C ATOM 825 CE LYS A 53 5.684 -11.247 8.780 1.00 0.00 C ATOM 826 NZ LYS A 53 6.610 -12.408 8.894 1.00 0.00 N ATOM 0 H LYS A 53 3.807 -9.445 12.337 1.00 0.00 H new ATOM 0 HA LYS A 53 6.020 -10.310 13.972 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.185 -10.383 11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.696 -11.307 11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.523 -9.674 10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.761 -8.460 10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.242 -9.181 8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.357 -10.141 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.758 -11.467 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.422 -11.093 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.154 -13.256 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.483 -12.209 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.840 -12.571 9.895 1.00 0.00 H new ATOM 840 N GLY A 54 5.844 -7.240 12.877 1.00 0.00 N ATOM 841 CA GLY A 54 6.463 -5.931 12.981 1.00 0.00 C ATOM 842 C GLY A 54 6.059 -5.005 11.851 1.00 0.00 C ATOM 843 O GLY A 54 5.279 -5.384 10.977 1.00 0.00 O ATOM 0 H GLY A 54 4.919 -7.244 12.447 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.188 -5.478 13.933 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.547 -6.045 12.983 1.00 0.00 H new ATOM 847 N ILE A 55 6.592 -3.787 11.867 1.00 0.00 N ATOM 848 CA ILE A 55 6.283 -2.804 10.836 1.00 0.00 C ATOM 849 C ILE A 55 7.257 -2.912 9.666 1.00 0.00 C ATOM 850 O ILE A 55 8.441 -3.188 9.856 1.00 0.00 O ATOM 851 CB ILE A 55 6.327 -1.369 11.396 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.487 -1.272 12.672 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.833 -0.376 10.354 1.00 0.00 C ATOM 854 CD1 ILE A 55 6.239 -1.672 13.922 1.00 0.00 C ATOM 0 H ILE A 55 7.240 -3.458 12.583 1.00 0.00 H new ATOM 0 HA ILE A 55 5.273 -3.018 10.486 1.00 0.00 H new ATOM 0 HB ILE A 55 7.360 -1.122 11.642 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.129 -0.249 12.785 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.608 -1.908 12.568 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.871 0.632 10.766 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.468 -0.431 9.470 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.806 -0.618 10.079 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.582 -1.579 14.787 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.574 -2.705 13.830 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.103 -1.021 14.051 1.00 0.00 H new ATOM 866 N GLU A 56 6.750 -2.690 8.458 1.00 0.00 N ATOM 867 CA GLU A 56 7.575 -2.763 7.258 1.00 0.00 C ATOM 868 C GLU A 56 7.944 -1.367 6.768 1.00 0.00 C ATOM 869 O GLU A 56 9.108 -1.089 6.474 1.00 0.00 O ATOM 870 CB GLU A 56 6.841 -3.526 6.155 1.00 0.00 C ATOM 871 CG GLU A 56 6.685 -5.011 6.443 1.00 0.00 C ATOM 872 CD GLU A 56 5.234 -5.431 6.581 1.00 0.00 C ATOM 873 OE1 GLU A 56 4.374 -4.824 5.908 1.00 0.00 O ATOM 874 OE2 GLU A 56 4.958 -6.364 7.362 1.00 0.00 O ATOM 0 H GLU A 56 5.772 -2.458 8.284 1.00 0.00 H new ATOM 0 HA GLU A 56 8.492 -3.295 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.854 -3.086 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.381 -3.401 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.150 -5.583 5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.219 -5.257 7.361 1.00 0.00 H new ATOM 881 N GLU A 57 6.949 -0.491 6.683 1.00 0.00 N ATOM 882 CA GLU A 57 7.169 0.876 6.229 1.00 0.00 C ATOM 883 C GLU A 57 7.704 0.899 4.802 1.00 0.00 C ATOM 884 O GLU A 57 8.915 0.849 4.581 1.00 0.00 O ATOM 885 CB GLU A 57 8.144 1.595 7.164 1.00 0.00 C ATOM 886 CG GLU A 57 7.944 3.101 7.212 1.00 0.00 C ATOM 887 CD GLU A 57 8.776 3.766 8.291 1.00 0.00 C ATOM 888 OE1 GLU A 57 9.211 3.060 9.226 1.00 0.00 O ATOM 889 OE2 GLU A 57 8.994 4.992 8.202 1.00 0.00 O ATOM 0 H GLU A 57 5.981 -0.704 6.923 1.00 0.00 H new ATOM 0 HA GLU A 57 6.211 1.395 6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.034 1.190 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.164 1.383 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.203 3.529 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.890 3.318 7.385 1.00 0.00 H new ATOM 896 N TYR A 58 6.795 0.976 3.836 1.00 0.00 N ATOM 897 CA TYR A 58 7.174 1.007 2.429 1.00 0.00 C ATOM 898 C TYR A 58 7.272 2.442 1.925 1.00 0.00 C ATOM 899 O TYR A 58 7.045 3.392 2.677 1.00 0.00 O ATOM 900 CB TYR A 58 6.164 0.226 1.584 1.00 0.00 C ATOM 901 CG TYR A 58 5.974 -1.205 2.037 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.268 -1.498 3.197 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.499 -2.261 1.304 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.091 -2.804 3.614 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.326 -3.570 1.713 1.00 0.00 C ATOM 906 CZ TYR A 58 5.622 -3.836 2.869 1.00 0.00 C ATOM 907 OH TYR A 58 5.448 -5.138 3.280 1.00 0.00 O ATOM 0 H TYR A 58 5.790 1.018 4.002 1.00 0.00 H new ATOM 0 HA TYR A 58 8.153 0.538 2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.203 0.739 1.615 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.493 0.229 0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.851 -0.692 3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.052 -2.056 0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.540 -3.015 4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.740 -4.380 1.131 1.00 0.00 H new ATOM 0 HH TYR A 58 4.903 -5.154 4.094 1.00 0.00 H new ATOM 917 N THR A 59 7.609 2.595 0.650 1.00 0.00 N ATOM 918 CA THR A 59 7.736 3.915 0.045 1.00 0.00 C ATOM 919 C THR A 59 7.238 3.901 -1.396 1.00 0.00 C ATOM 920 O THR A 59 7.686 3.096 -2.211 1.00 0.00 O ATOM 921 CB THR A 59 9.193 4.381 0.089 1.00 0.00 C ATOM 922 OG1 THR A 59 9.680 4.377 1.419 1.00 0.00 O ATOM 923 CG2 THR A 59 9.393 5.774 -0.468 1.00 0.00 C ATOM 0 H THR A 59 7.799 1.820 0.014 1.00 0.00 H new ATOM 0 HA THR A 59 7.122 4.611 0.617 1.00 0.00 H new ATOM 0 HB THR A 59 9.741 3.675 -0.535 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.373 5.184 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.448 6.042 -0.407 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.072 5.799 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.804 6.485 0.111 1.00 0.00 H new ATOM 931 N ILE A 60 6.309 4.799 -1.703 1.00 0.00 N ATOM 932 CA ILE A 60 5.750 4.890 -3.046 1.00 0.00 C ATOM 933 C ILE A 60 6.740 5.539 -4.008 1.00 0.00 C ATOM 934 O ILE A 60 7.134 6.691 -3.826 1.00 0.00 O ATOM 935 CB ILE A 60 4.437 5.698 -3.056 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.485 5.184 -1.973 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.781 5.622 -4.427 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.841 6.288 -1.164 1.00 0.00 C ATOM 0 H ILE A 60 5.927 5.474 -1.040 1.00 0.00 H new ATOM 0 HA ILE A 60 5.542 3.871 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 60 4.668 6.741 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.704 4.584 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.034 4.524 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.855 6.197 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.457 6.032 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.560 4.582 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.179 5.852 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.615 6.874 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.264 6.935 -1.825 1.00 0.00 H new ATOM 950 N LEU A 61 7.137 4.791 -5.030 1.00 0.00 N ATOM 951 CA LEU A 61 8.081 5.293 -6.022 1.00 0.00 C ATOM 952 C LEU A 61 7.384 6.202 -7.029 1.00 0.00 C ATOM 953 O LEU A 61 8.018 7.054 -7.654 1.00 0.00 O ATOM 954 CB LEU A 61 8.753 4.127 -6.750 1.00 0.00 C ATOM 955 CG LEU A 61 9.427 3.099 -5.840 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.097 2.012 -6.666 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.438 3.776 -4.928 1.00 0.00 C ATOM 0 H LEU A 61 6.821 3.835 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 61 8.841 5.876 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.005 3.617 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.500 4.528 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 61 8.661 2.635 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.571 1.290 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.349 1.506 -7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.852 2.460 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.908 3.029 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.201 4.268 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.931 4.517 -4.310 1.00 0.00 H new ATOM 969 N GLN A 62 6.074 6.019 -7.183 1.00 0.00 N ATOM 970 CA GLN A 62 5.292 6.824 -8.115 1.00 0.00 C ATOM 971 C GLN A 62 3.826 6.401 -8.096 1.00 0.00 C ATOM 972 O GLN A 62 3.473 5.379 -7.511 1.00 0.00 O ATOM 973 CB GLN A 62 5.856 6.697 -9.533 1.00 0.00 C ATOM 974 CG GLN A 62 5.884 8.011 -10.296 1.00 0.00 C ATOM 975 CD GLN A 62 5.822 7.814 -11.798 1.00 0.00 C ATOM 976 OE1 GLN A 62 6.826 7.498 -12.437 1.00 0.00 O ATOM 977 NE2 GLN A 62 4.639 8.001 -12.371 1.00 0.00 N ATOM 0 H GLN A 62 5.533 5.320 -6.674 1.00 0.00 H new ATOM 0 HA GLN A 62 5.356 7.866 -7.801 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.868 6.297 -9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.258 5.976 -10.090 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.044 8.629 -9.979 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.794 8.555 -10.042 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.833 8.262 -11.803 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.536 7.883 -13.379 1.00 0.00 H new ATOM 986 N ILE A 63 2.977 7.195 -8.742 1.00 0.00 N ATOM 987 CA ILE A 63 1.550 6.902 -8.798 1.00 0.00 C ATOM 988 C ILE A 63 1.079 6.731 -10.241 1.00 0.00 C ATOM 989 O ILE A 63 0.709 7.703 -10.899 1.00 0.00 O ATOM 990 CB ILE A 63 0.721 8.013 -8.129 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.290 8.341 -6.747 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.738 7.596 -8.023 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.305 7.158 -5.803 1.00 0.00 C ATOM 0 H ILE A 63 3.253 8.045 -9.233 1.00 0.00 H new ATOM 0 HA ILE A 63 1.398 5.969 -8.255 1.00 0.00 H new ATOM 0 HB ILE A 63 0.777 8.910 -8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.307 8.717 -6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.702 9.143 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.310 8.393 -7.548 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.136 7.408 -9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.814 6.688 -7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.721 7.464 -4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.287 6.795 -5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.917 6.362 -6.227 1.00 0.00 H new ATOM 1005 N PRO A 64 1.087 5.488 -10.753 1.00 0.00 N ATOM 1006 CA PRO A 64 0.658 5.198 -12.126 1.00 0.00 C ATOM 1007 C PRO A 64 -0.847 5.363 -12.317 1.00 0.00 C ATOM 1008 O PRO A 64 -1.339 5.377 -13.446 1.00 0.00 O ATOM 1009 CB PRO A 64 1.063 3.736 -12.323 1.00 0.00 C ATOM 1010 CG PRO A 64 1.078 3.159 -10.950 1.00 0.00 C ATOM 1011 CD PRO A 64 1.513 4.271 -10.037 1.00 0.00 C ATOM 0 HA PRO A 64 1.110 5.882 -12.844 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.355 3.212 -12.965 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.042 3.657 -12.797 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.091 2.789 -10.672 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.764 2.314 -10.890 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.040 4.195 -9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.590 4.258 -9.873 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.573 5.488 -11.211 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.022 5.651 -11.264 1.00 0.00 C ATOM 1021 C ALA A 65 -3.683 4.449 -11.928 1.00 0.00 C ATOM 1022 O ALA A 65 -4.662 4.592 -12.660 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.382 6.931 -12.005 1.00 0.00 C ATOM 0 H ALA A 65 -1.183 5.480 -10.269 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.394 5.720 -10.242 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.466 7.040 -12.037 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.946 7.786 -11.488 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.992 6.885 -13.022 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.138 3.265 -11.669 1.00 0.00 N ATOM 1030 CA LEU A 66 -3.674 2.035 -12.243 1.00 0.00 C ATOM 1031 C LEU A 66 -4.726 1.419 -11.326 1.00 0.00 C ATOM 1032 O LEU A 66 -4.946 1.891 -10.211 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.544 1.033 -12.494 1.00 0.00 C ATOM 1034 CG LEU A 66 -2.151 0.854 -13.960 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -1.248 1.989 -14.414 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -1.468 -0.489 -14.168 1.00 0.00 C ATOM 0 H LEU A 66 -2.326 3.131 -11.066 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.149 2.281 -13.192 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.665 1.353 -11.935 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.842 0.064 -12.093 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.058 0.876 -14.564 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.979 1.844 -15.460 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.772 2.938 -14.303 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.344 2.000 -13.805 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.195 -0.600 -15.217 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.570 -0.540 -13.552 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.149 -1.291 -13.884 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.372 0.361 -11.806 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.402 -0.322 -11.031 1.00 0.00 C ATOM 1050 C LYS A 67 -5.914 -1.688 -10.560 1.00 0.00 C ATOM 1051 O LYS A 67 -6.345 -2.189 -9.522 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.675 -0.482 -11.865 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.373 0.833 -12.167 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.844 0.622 -12.492 1.00 0.00 C ATOM 1055 CE LYS A 67 -10.114 0.779 -13.979 1.00 0.00 C ATOM 1056 NZ LYS A 67 -9.913 2.182 -14.435 1.00 0.00 N ATOM 0 H LYS A 67 -5.201 -0.042 -12.727 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.624 0.286 -10.154 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.424 -0.975 -12.804 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.366 -1.138 -11.336 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.281 1.500 -11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.880 1.323 -13.007 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.150 -0.373 -12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.447 1.338 -11.934 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.454 0.117 -14.540 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.136 0.469 -14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.456 2.345 -15.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.240 2.837 -13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.903 2.345 -14.620 1.00 0.00 H new ATOM 1070 N ASN A 68 -5.012 -2.288 -11.332 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.466 -3.597 -10.992 1.00 0.00 C ATOM 1072 C ASN A 68 -3.205 -3.886 -11.800 1.00 0.00 C ATOM 1073 O ASN A 68 -3.278 -4.317 -12.951 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.508 -4.688 -11.245 1.00 0.00 C ATOM 1075 CG ASN A 68 -5.110 -6.019 -10.639 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -4.260 -6.729 -11.175 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -5.724 -6.365 -9.513 1.00 0.00 N ATOM 0 H ASN A 68 -4.645 -1.889 -12.196 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.205 -3.591 -9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.466 -4.375 -10.830 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.650 -4.809 -12.319 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.496 -7.250 -9.059 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.423 -5.746 -9.102 1.00 0.00 H new ATOM 1084 N VAL A 69 -2.049 -3.646 -11.191 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.773 -3.880 -11.855 1.00 0.00 C ATOM 1086 C VAL A 69 -0.390 -5.358 -11.804 1.00 0.00 C ATOM 1087 O VAL A 69 -0.483 -5.993 -10.753 1.00 0.00 O ATOM 1088 CB VAL A 69 0.355 -3.049 -11.214 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.630 -3.153 -12.037 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.072 -1.598 -11.060 1.00 0.00 C ATOM 0 H VAL A 69 -1.970 -3.290 -10.239 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.896 -3.573 -12.894 1.00 0.00 H new ATOM 0 HB VAL A 69 0.558 -3.451 -10.221 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.415 -2.559 -11.568 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.945 -4.195 -12.089 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.445 -2.779 -13.044 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.738 -1.027 -10.606 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.305 -1.181 -12.040 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.955 -1.544 -10.424 1.00 0.00 H new ATOM 1100 N PRO A 70 0.047 -5.930 -12.942 1.00 0.00 N ATOM 1101 CA PRO A 70 0.442 -7.338 -13.013 1.00 0.00 C ATOM 1102 C PRO A 70 1.816 -7.585 -12.400 1.00 0.00 C ATOM 1103 O PRO A 70 2.372 -6.719 -11.725 1.00 0.00 O ATOM 1104 CB PRO A 70 0.468 -7.615 -14.515 1.00 0.00 C ATOM 1105 CG PRO A 70 0.806 -6.302 -15.131 1.00 0.00 C ATOM 1106 CD PRO A 70 0.191 -5.250 -14.244 1.00 0.00 C ATOM 0 HA PRO A 70 -0.236 -7.985 -12.456 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.209 -8.374 -14.766 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.496 -7.982 -14.868 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.886 -6.171 -15.199 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.412 -6.235 -16.145 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.828 -4.369 -14.167 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.772 -4.915 -14.629 1.00 0.00 H new ATOM 1114 N ARG A 71 2.361 -8.774 -12.640 1.00 0.00 N ATOM 1115 CA ARG A 71 3.671 -9.134 -12.111 1.00 0.00 C ATOM 1116 C ARG A 71 4.784 -8.639 -13.030 1.00 0.00 C ATOM 1117 O ARG A 71 5.303 -9.391 -13.854 1.00 0.00 O ATOM 1118 CB ARG A 71 3.775 -10.651 -11.938 1.00 0.00 C ATOM 1119 CG ARG A 71 4.602 -11.071 -10.735 1.00 0.00 C ATOM 1120 CD ARG A 71 4.134 -12.405 -10.176 1.00 0.00 C ATOM 1121 NE ARG A 71 5.032 -12.909 -9.139 1.00 0.00 N ATOM 1122 CZ ARG A 71 6.187 -13.520 -9.391 1.00 0.00 C ATOM 1123 NH1 ARG A 71 6.588 -13.706 -10.643 1.00 0.00 N ATOM 1124 NH2 ARG A 71 6.944 -13.946 -8.389 1.00 0.00 N ATOM 0 H ARG A 71 1.916 -9.503 -13.197 1.00 0.00 H new ATOM 0 HA ARG A 71 3.786 -8.655 -11.139 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.772 -11.067 -11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.214 -11.082 -12.838 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.651 -11.143 -11.021 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.534 -10.307 -9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.131 -12.294 -9.764 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.068 -13.134 -10.984 1.00 0.00 H new ATOM 0 HE ARG A 71 4.757 -12.785 -8.165 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.010 -13.380 -11.417 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.474 -14.175 -10.830 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.641 -13.805 -7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.829 -14.414 -8.582 1.00 0.00 H new ATOM 1138 N LYS A 72 5.145 -7.368 -12.882 1.00 0.00 N ATOM 1139 CA LYS A 72 6.198 -6.773 -13.699 1.00 0.00 C ATOM 1140 C LYS A 72 6.490 -5.344 -13.253 1.00 0.00 C ATOM 1141 O LYS A 72 7.647 -4.933 -13.170 1.00 0.00 O ATOM 1142 CB LYS A 72 5.794 -6.790 -15.176 1.00 0.00 C ATOM 1143 CG LYS A 72 6.440 -7.915 -15.969 1.00 0.00 C ATOM 1144 CD LYS A 72 7.543 -7.396 -16.878 1.00 0.00 C ATOM 1145 CE LYS A 72 8.870 -7.296 -16.143 1.00 0.00 C ATOM 1146 NZ LYS A 72 9.927 -6.673 -16.985 1.00 0.00 N ATOM 0 H LYS A 72 4.725 -6.731 -12.205 1.00 0.00 H new ATOM 0 HA LYS A 72 7.104 -7.365 -13.571 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.710 -6.882 -15.247 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.063 -5.836 -15.629 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.851 -8.655 -15.283 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.682 -8.421 -16.567 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.650 -8.059 -17.736 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.266 -6.416 -17.265 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.738 -6.709 -15.234 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.191 -8.292 -15.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.815 -6.624 -16.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.072 -7.246 -17.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.633 -5.713 -17.257 1.00 0.00 H new ATOM 1160 N ASP A 73 5.433 -4.590 -12.968 1.00 0.00 N ATOM 1161 CA ASP A 73 5.575 -3.205 -12.531 1.00 0.00 C ATOM 1162 C ASP A 73 5.186 -3.046 -11.062 1.00 0.00 C ATOM 1163 O ASP A 73 5.515 -2.041 -10.431 1.00 0.00 O ATOM 1164 CB ASP A 73 4.715 -2.285 -13.398 1.00 0.00 C ATOM 1165 CG ASP A 73 5.400 -1.910 -14.698 1.00 0.00 C ATOM 1166 OD1 ASP A 73 6.249 -2.696 -15.170 1.00 0.00 O ATOM 1167 OD2 ASP A 73 5.089 -0.830 -15.244 1.00 0.00 O ATOM 0 H ASP A 73 4.468 -4.915 -13.032 1.00 0.00 H new ATOM 0 HA ASP A 73 6.623 -2.926 -12.640 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.768 -2.778 -13.618 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.480 -1.379 -12.840 1.00 0.00 H new ATOM 1172 N THR A 74 4.483 -4.039 -10.521 1.00 0.00 N ATOM 1173 CA THR A 74 4.051 -4.002 -9.127 1.00 0.00 C ATOM 1174 C THR A 74 5.229 -3.746 -8.191 1.00 0.00 C ATOM 1175 O THR A 74 5.067 -3.161 -7.120 1.00 0.00 O ATOM 1176 CB THR A 74 3.365 -5.316 -8.751 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.102 -5.363 -7.359 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.180 -6.540 -9.106 1.00 0.00 C ATOM 0 H THR A 74 4.201 -4.878 -11.027 1.00 0.00 H new ATOM 0 HA THR A 74 3.342 -3.181 -9.017 1.00 0.00 H new ATOM 0 HB THR A 74 2.441 -5.336 -9.329 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.414 -6.038 -7.179 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.635 -7.437 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.358 -6.559 -10.181 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.134 -6.507 -8.581 1.00 0.00 H new ATOM 1186 N HIS A 75 6.414 -4.187 -8.600 1.00 0.00 N ATOM 1187 CA HIS A 75 7.616 -4.004 -7.795 1.00 0.00 C ATOM 1188 C HIS A 75 8.415 -2.794 -8.271 1.00 0.00 C ATOM 1189 O HIS A 75 9.634 -2.742 -8.111 1.00 0.00 O ATOM 1190 CB HIS A 75 8.490 -5.259 -7.852 1.00 0.00 C ATOM 1191 CG HIS A 75 8.995 -5.577 -9.224 1.00 0.00 C ATOM 1192 ND1 HIS A 75 10.289 -5.326 -9.627 1.00 0.00 N ATOM 1193 CD2 HIS A 75 8.372 -6.131 -10.292 1.00 0.00 C ATOM 1194 CE1 HIS A 75 10.441 -5.710 -10.882 1.00 0.00 C ATOM 1195 NE2 HIS A 75 9.292 -6.203 -11.308 1.00 0.00 N ATOM 0 H HIS A 75 6.568 -4.673 -9.483 1.00 0.00 H new ATOM 0 HA HIS A 75 7.307 -3.829 -6.764 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.340 -5.130 -7.182 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.917 -6.108 -7.479 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.343 -6.456 -10.336 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.350 -5.634 -11.461 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.117 -6.577 -12.241 1.00 0.00 H new ATOM 1204 N LEU A 76 7.720 -1.822 -8.856 1.00 0.00 N ATOM 1205 CA LEU A 76 8.368 -0.613 -9.353 1.00 0.00 C ATOM 1206 C LEU A 76 7.628 0.646 -8.897 1.00 0.00 C ATOM 1207 O LEU A 76 7.958 1.753 -9.322 1.00 0.00 O ATOM 1208 CB LEU A 76 8.445 -0.648 -10.881 1.00 0.00 C ATOM 1209 CG LEU A 76 9.770 -1.159 -11.451 1.00 0.00 C ATOM 1210 CD1 LEU A 76 9.529 -2.004 -12.693 1.00 0.00 C ATOM 1211 CD2 LEU A 76 10.695 0.007 -11.770 1.00 0.00 C ATOM 0 H LEU A 76 6.710 -1.848 -8.997 1.00 0.00 H new ATOM 0 HA LEU A 76 9.376 -0.580 -8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.639 -1.278 -11.256 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.267 0.358 -11.262 1.00 0.00 H new ATOM 0 HG LEU A 76 10.249 -1.786 -10.699 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.483 -2.358 -13.083 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.903 -2.858 -12.436 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.028 -1.402 -13.451 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.633 -0.373 -12.174 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.220 0.658 -12.504 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.895 0.572 -10.860 1.00 0.00 H new ATOM 1223 N TYR A 77 6.629 0.474 -8.034 1.00 0.00 N ATOM 1224 CA TYR A 77 5.852 1.604 -7.533 1.00 0.00 C ATOM 1225 C TYR A 77 5.927 1.703 -6.009 1.00 0.00 C ATOM 1226 O TYR A 77 5.600 2.741 -5.433 1.00 0.00 O ATOM 1227 CB TYR A 77 4.394 1.478 -7.976 1.00 0.00 C ATOM 1228 CG TYR A 77 4.204 1.602 -9.472 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.564 2.763 -10.144 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.665 0.556 -10.212 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.392 2.880 -11.509 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.491 0.665 -11.578 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.856 1.828 -12.222 1.00 0.00 C ATOM 1234 OH TYR A 77 3.684 1.941 -13.583 1.00 0.00 O ATOM 0 H TYR A 77 6.340 -0.433 -7.669 1.00 0.00 H new ATOM 0 HA TYR A 77 6.280 2.515 -7.952 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.005 0.514 -7.647 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.804 2.247 -7.478 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.986 3.588 -9.589 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.378 -0.357 -9.711 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.676 3.791 -12.016 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.071 -0.157 -12.139 1.00 0.00 H new ATOM 0 HH TYR A 77 3.297 1.112 -13.934 1.00 0.00 H new ATOM 1244 N ILE A 78 6.356 0.624 -5.359 1.00 0.00 N ATOM 1245 CA ILE A 78 6.466 0.603 -3.905 1.00 0.00 C ATOM 1246 C ILE A 78 7.531 -0.391 -3.451 1.00 0.00 C ATOM 1247 O ILE A 78 7.628 -1.499 -3.981 1.00 0.00 O ATOM 1248 CB ILE A 78 5.120 0.243 -3.244 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.236 0.313 -1.719 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.664 -1.140 -3.685 1.00 0.00 C ATOM 1251 CD1 ILE A 78 3.934 0.034 -1.002 1.00 0.00 C ATOM 0 H ILE A 78 6.632 -0.245 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 78 6.755 1.607 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 78 4.372 0.969 -3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.986 -0.405 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.593 1.303 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.713 -1.378 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.542 -1.155 -4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.410 -1.879 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.090 0.100 0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.187 0.767 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.585 -0.967 -1.257 1.00 0.00 H new ATOM 1263 N ALA A 79 8.328 0.011 -2.465 1.00 0.00 N ATOM 1264 CA ALA A 79 9.384 -0.845 -1.939 1.00 0.00 C ATOM 1265 C ALA A 79 9.484 -0.722 -0.421 1.00 0.00 C ATOM 1266 O ALA A 79 9.217 0.339 0.143 1.00 0.00 O ATOM 1267 CB ALA A 79 10.716 -0.498 -2.586 1.00 0.00 C ATOM 0 H ALA A 79 8.262 0.924 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 79 9.134 -1.878 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.495 -1.145 -2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.645 -0.642 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.963 0.542 -2.375 1.00 0.00 H new ATOM 1273 N PRO A 80 9.871 -1.812 0.265 1.00 0.00 N ATOM 1274 CA PRO A 80 10.004 -1.820 1.725 1.00 0.00 C ATOM 1275 C PRO A 80 11.218 -1.030 2.201 1.00 0.00 C ATOM 1276 O PRO A 80 12.360 -1.450 2.009 1.00 0.00 O ATOM 1277 CB PRO A 80 10.170 -3.304 2.056 1.00 0.00 C ATOM 1278 CG PRO A 80 10.771 -3.898 0.830 1.00 0.00 C ATOM 1279 CD PRO A 80 10.209 -3.121 -0.329 1.00 0.00 C ATOM 0 HA PRO A 80 9.150 -1.352 2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.815 -3.447 2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.212 -3.767 2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.858 -3.828 0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.522 -4.956 0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.936 -3.020 -1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.331 -3.609 -0.751 1.00 0.00 H new ATOM 1287 N LYS A 81 10.965 0.116 2.823 1.00 0.00 N ATOM 1288 CA LYS A 81 12.038 0.965 3.328 1.00 0.00 C ATOM 1289 C LYS A 81 12.625 0.392 4.614 1.00 0.00 C ATOM 1290 O LYS A 81 11.990 -0.416 5.293 1.00 0.00 O ATOM 1291 CB LYS A 81 11.521 2.384 3.577 1.00 0.00 C ATOM 1292 CG LYS A 81 12.521 3.468 3.208 1.00 0.00 C ATOM 1293 CD LYS A 81 12.010 4.849 3.586 1.00 0.00 C ATOM 1294 CE LYS A 81 13.146 5.852 3.700 1.00 0.00 C ATOM 1295 NZ LYS A 81 12.645 7.242 3.881 1.00 0.00 N ATOM 0 H LYS A 81 10.026 0.479 2.990 1.00 0.00 H new ATOM 0 HA LYS A 81 12.825 1.000 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.606 2.535 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.258 2.487 4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.468 3.278 3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.719 3.433 2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.295 5.191 2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.476 4.793 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.784 5.584 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.764 5.803 2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.451 7.895 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.057 7.508 3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.076 7.296 4.750 1.00 0.00 H new