USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 742 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= -0.0907 USER MOD Set 2.1: A 8 THR OG1 : rot 31:sc= -0.63 USER MOD Set 2.2: A 86 ASN : amide:sc= -1.3 X(o=-1.9,f=-1.8) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 145:sc= -2 (180deg=-5.48!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 62:sc= 0.0993 USER MOD Single : A 51 THR OG1 : rot -25:sc= 1.1 USER MOD Single : A 58 ASN : amide:sc= -3.63! C(o=-3.6!,f=-6.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0631) USER MOD Single : A 70 THR OG1 : rot 36:sc= 0.0142 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= 0.231 (180deg=-0.0709) USER MOD Single : A 91 SER OG : rot 100:sc= -0.0646 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -19.456 -2.722 -0.544 1.00 0.00 N ATOM 60 CA GLY A 7 -20.301 -1.841 0.241 1.00 0.00 C ATOM 61 C GLY A 7 -19.600 -0.550 0.617 1.00 0.00 C ATOM 62 O GLY A 7 -20.095 0.541 0.330 1.00 0.00 O ATOM 0 HA2 GLY A 7 -21.204 -1.610 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.616 -2.357 1.148 1.00 0.00 H new ATOM 66 N THR A 8 -18.445 -0.672 1.263 1.00 0.00 N ATOM 67 CA THR A 8 -17.677 0.494 1.682 1.00 0.00 C ATOM 68 C THR A 8 -16.808 1.017 0.544 1.00 0.00 C ATOM 69 O THR A 8 -16.596 0.330 -0.455 1.00 0.00 O ATOM 70 CB THR A 8 -16.779 0.170 2.891 1.00 0.00 C ATOM 71 OG1 THR A 8 -16.195 -1.128 2.734 1.00 0.00 O ATOM 72 CG2 THR A 8 -17.576 0.220 4.186 1.00 0.00 C ATOM 0 H THR A 8 -18.021 -1.567 1.508 1.00 0.00 H new ATOM 0 HA THR A 8 -18.397 1.261 1.968 1.00 0.00 H new ATOM 0 HB THR A 8 -15.989 0.920 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.064 -1.315 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.921 -0.012 5.026 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.995 1.218 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.384 -0.510 4.144 1.00 0.00 H new ATOM 80 N SER A 9 -16.306 2.238 0.702 1.00 0.00 N ATOM 81 CA SER A 9 -15.461 2.855 -0.314 1.00 0.00 C ATOM 82 C SER A 9 -13.994 2.505 -0.087 1.00 0.00 C ATOM 83 O SER A 9 -13.548 2.291 1.041 1.00 0.00 O ATOM 84 CB SER A 9 -15.643 4.374 -0.305 1.00 0.00 C ATOM 85 OG SER A 9 -16.944 4.735 -0.734 1.00 0.00 O ATOM 0 H SER A 9 -16.470 2.819 1.524 1.00 0.00 H new ATOM 0 HA SER A 9 -15.762 2.466 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.469 4.758 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.901 4.836 -0.956 1.00 0.00 H new ATOM 0 HG SER A 9 -17.035 5.711 -0.717 1.00 0.00 H new ATOM 91 N PRO A 10 -13.224 2.446 -1.183 1.00 0.00 N ATOM 92 CA PRO A 10 -11.795 2.123 -1.131 1.00 0.00 C ATOM 93 C PRO A 10 -10.972 3.237 -0.494 1.00 0.00 C ATOM 94 O PRO A 10 -11.439 4.362 -0.314 1.00 0.00 O ATOM 95 CB PRO A 10 -11.415 1.953 -2.604 1.00 0.00 C ATOM 96 CG PRO A 10 -12.412 2.772 -3.349 1.00 0.00 C ATOM 97 CD PRO A 10 -13.689 2.690 -2.559 1.00 0.00 C ATOM 0 HA PRO A 10 -11.599 1.241 -0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.399 2.298 -2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.458 0.906 -2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.077 3.805 -3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.553 2.390 -4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.266 3.612 -2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.331 1.884 -2.915 1.00 0.00 H new ATOM 105 N PRO A 11 -9.716 2.921 -0.144 1.00 0.00 N ATOM 106 CA PRO A 11 -8.801 3.883 0.478 1.00 0.00 C ATOM 107 C PRO A 11 -8.360 4.974 -0.493 1.00 0.00 C ATOM 108 O PRO A 11 -7.719 4.696 -1.507 1.00 0.00 O ATOM 109 CB PRO A 11 -7.606 3.020 0.891 1.00 0.00 C ATOM 110 CG PRO A 11 -7.640 1.857 -0.038 1.00 0.00 C ATOM 111 CD PRO A 11 -9.093 1.600 -0.329 1.00 0.00 C ATOM 0 HA PRO A 11 -9.269 4.413 1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.670 3.571 0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.689 2.700 1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.091 2.074 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.172 0.983 0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.240 1.225 -1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.514 0.858 0.350 1.00 0.00 H new ATOM 119 N THR A 12 -8.707 6.217 -0.175 1.00 0.00 N ATOM 120 CA THR A 12 -8.348 7.350 -1.019 1.00 0.00 C ATOM 121 C THR A 12 -7.130 8.082 -0.467 1.00 0.00 C ATOM 122 O THR A 12 -6.564 7.686 0.552 1.00 0.00 O ATOM 123 CB THR A 12 -9.516 8.346 -1.150 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.784 8.956 0.117 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.768 7.647 -1.658 1.00 0.00 C ATOM 0 H THR A 12 -9.236 6.465 0.661 1.00 0.00 H new ATOM 0 HA THR A 12 -8.112 6.948 -2.004 1.00 0.00 H new ATOM 0 HB THR A 12 -9.231 9.114 -1.869 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.526 9.589 0.025 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.579 8.370 -1.743 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.569 7.209 -2.636 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.054 6.860 -0.960 1.00 0.00 H new ATOM 133 N LEU A 13 -6.732 9.153 -1.145 1.00 0.00 N ATOM 134 CA LEU A 13 -5.580 9.942 -0.722 1.00 0.00 C ATOM 135 C LEU A 13 -4.343 9.063 -0.573 1.00 0.00 C ATOM 136 O LEU A 13 -3.621 9.152 0.422 1.00 0.00 O ATOM 137 CB LEU A 13 -5.881 10.649 0.601 1.00 0.00 C ATOM 138 CG LEU A 13 -6.677 11.951 0.501 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.259 12.325 1.855 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.799 13.073 -0.033 1.00 0.00 C ATOM 0 H LEU A 13 -7.190 9.495 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.380 10.690 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.430 9.959 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.935 10.862 1.099 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.501 11.799 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.822 13.254 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.922 11.531 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.451 12.459 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.382 13.992 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.955 13.225 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.431 12.807 -1.024 1.00 0.00 H new ATOM 152 N LEU A 14 -4.102 8.216 -1.567 1.00 0.00 N ATOM 153 CA LEU A 14 -2.949 7.322 -1.548 1.00 0.00 C ATOM 154 C LEU A 14 -1.693 8.042 -2.026 1.00 0.00 C ATOM 155 O LEU A 14 -1.596 8.441 -3.187 1.00 0.00 O ATOM 156 CB LEU A 14 -3.214 6.098 -2.427 1.00 0.00 C ATOM 157 CG LEU A 14 -2.281 4.905 -2.216 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.975 5.110 -2.969 1.00 0.00 C ATOM 159 CD2 LEU A 14 -2.015 4.691 -0.733 1.00 0.00 C ATOM 0 H LEU A 14 -4.689 8.129 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.790 6.997 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.238 5.767 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.149 6.404 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.768 4.013 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.323 4.251 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.182 5.213 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.483 6.012 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.349 3.838 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.549 5.583 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.957 4.499 -0.219 1.00 0.00 H new ATOM 171 N THR A 15 -0.730 8.204 -1.123 1.00 0.00 N ATOM 172 CA THR A 15 0.521 8.876 -1.452 1.00 0.00 C ATOM 173 C THR A 15 1.695 8.244 -0.712 1.00 0.00 C ATOM 174 O THR A 15 1.517 7.608 0.327 1.00 0.00 O ATOM 175 CB THR A 15 0.460 10.376 -1.109 1.00 0.00 C ATOM 176 OG1 THR A 15 1.544 11.067 -1.741 1.00 0.00 O ATOM 177 CG2 THR A 15 0.524 10.590 0.396 1.00 0.00 C ATOM 0 H THR A 15 -0.793 7.879 -0.158 1.00 0.00 H new ATOM 0 HA THR A 15 0.668 8.763 -2.526 1.00 0.00 H new ATOM 0 HB THR A 15 -0.487 10.772 -1.476 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.498 12.021 -1.520 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.479 11.657 0.614 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.318 10.087 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.457 10.179 0.783 1.00 0.00 H new ATOM 185 N VAL A 16 2.895 8.423 -1.255 1.00 0.00 N ATOM 186 CA VAL A 16 4.099 7.871 -0.645 1.00 0.00 C ATOM 187 C VAL A 16 4.656 8.811 0.419 1.00 0.00 C ATOM 188 O VAL A 16 5.295 9.814 0.103 1.00 0.00 O ATOM 189 CB VAL A 16 5.190 7.603 -1.699 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.300 6.745 -1.112 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.589 6.943 -2.930 1.00 0.00 C ATOM 0 H VAL A 16 3.059 8.946 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 16 3.814 6.927 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 16 5.622 8.557 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.062 6.566 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.748 7.261 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.887 5.792 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.373 6.761 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.129 5.996 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.833 7.599 -3.362 1.00 0.00 H new ATOM 201 N ASP A 17 4.409 8.479 1.681 1.00 0.00 N ATOM 202 CA ASP A 17 4.887 9.292 2.793 1.00 0.00 C ATOM 203 C ASP A 17 6.395 9.508 2.700 1.00 0.00 C ATOM 204 O ASP A 17 6.863 10.639 2.569 1.00 0.00 O ATOM 205 CB ASP A 17 4.536 8.628 4.126 1.00 0.00 C ATOM 206 CG ASP A 17 4.761 9.550 5.309 1.00 0.00 C ATOM 207 OD1 ASP A 17 3.839 10.324 5.641 1.00 0.00 O ATOM 208 OD2 ASP A 17 5.859 9.498 5.901 1.00 0.00 O ATOM 0 H ASP A 17 3.880 7.652 1.960 1.00 0.00 H new ATOM 0 HA ASP A 17 4.395 10.263 2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.493 8.313 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.139 7.728 4.250 1.00 0.00 H new ATOM 213 N SER A 18 7.149 8.416 2.770 1.00 0.00 N ATOM 214 CA SER A 18 8.604 8.486 2.698 1.00 0.00 C ATOM 215 C SER A 18 9.174 7.256 1.998 1.00 0.00 C ATOM 216 O SER A 18 8.451 6.303 1.707 1.00 0.00 O ATOM 217 CB SER A 18 9.200 8.609 4.102 1.00 0.00 C ATOM 218 OG SER A 18 10.478 9.219 4.062 1.00 0.00 O ATOM 0 H SER A 18 6.777 7.472 2.876 1.00 0.00 H new ATOM 0 HA SER A 18 8.872 9.369 2.118 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.533 9.196 4.733 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.279 7.621 4.555 1.00 0.00 H new ATOM 0 HG SER A 18 10.836 9.288 4.972 1.00 0.00 H new ATOM 224 N VAL A 19 10.475 7.286 1.729 1.00 0.00 N ATOM 225 CA VAL A 19 11.144 6.174 1.064 1.00 0.00 C ATOM 226 C VAL A 19 12.607 6.083 1.482 1.00 0.00 C ATOM 227 O VAL A 19 13.347 7.065 1.413 1.00 0.00 O ATOM 228 CB VAL A 19 11.066 6.309 -0.469 1.00 0.00 C ATOM 229 CG1 VAL A 19 11.934 5.256 -1.142 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.624 6.203 -0.941 1.00 0.00 C ATOM 0 H VAL A 19 11.087 8.068 1.961 1.00 0.00 H new ATOM 0 HA VAL A 19 10.626 5.265 1.368 1.00 0.00 H new ATOM 0 HB VAL A 19 11.444 7.292 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.867 5.366 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.970 5.384 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.588 4.263 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.588 6.301 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.216 5.235 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.033 6.997 -0.486 1.00 0.00 H new ATOM 240 N THR A 20 13.020 4.896 1.916 1.00 0.00 N ATOM 241 CA THR A 20 14.395 4.676 2.346 1.00 0.00 C ATOM 242 C THR A 20 15.032 3.521 1.581 1.00 0.00 C ATOM 243 O THR A 20 14.430 2.458 1.428 1.00 0.00 O ATOM 244 CB THR A 20 14.470 4.380 3.856 1.00 0.00 C ATOM 245 OG1 THR A 20 13.651 5.306 4.578 1.00 0.00 O ATOM 246 CG2 THR A 20 15.905 4.469 4.354 1.00 0.00 C ATOM 0 H THR A 20 12.422 4.072 1.979 1.00 0.00 H new ATOM 0 HA THR A 20 14.943 5.594 2.135 1.00 0.00 H new ATOM 0 HB THR A 20 14.106 3.366 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.703 5.110 5.537 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.933 4.256 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.520 3.742 3.823 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.291 5.472 4.174 1.00 0.00 H new ATOM 254 N ASP A 21 16.253 3.737 1.104 1.00 0.00 N ATOM 255 CA ASP A 21 16.973 2.713 0.356 1.00 0.00 C ATOM 256 C ASP A 21 16.753 1.334 0.971 1.00 0.00 C ATOM 257 O ASP A 21 16.849 0.314 0.288 1.00 0.00 O ATOM 258 CB ASP A 21 18.467 3.035 0.317 1.00 0.00 C ATOM 259 CG ASP A 21 19.152 2.763 1.642 1.00 0.00 C ATOM 260 OD1 ASP A 21 19.201 3.683 2.484 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.640 1.630 1.837 1.00 0.00 O ATOM 0 H ASP A 21 16.765 4.611 1.222 1.00 0.00 H new ATOM 0 HA ASP A 21 16.585 2.703 -0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.943 2.442 -0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.603 4.083 0.049 1.00 0.00 H new ATOM 266 N THR A 22 16.457 1.311 2.267 1.00 0.00 N ATOM 267 CA THR A 22 16.225 0.058 2.976 1.00 0.00 C ATOM 268 C THR A 22 14.766 -0.370 2.874 1.00 0.00 C ATOM 269 O THR A 22 14.462 -1.479 2.435 1.00 0.00 O ATOM 270 CB THR A 22 16.612 0.174 4.462 1.00 0.00 C ATOM 271 OG1 THR A 22 16.075 1.381 5.015 1.00 0.00 O ATOM 272 CG2 THR A 22 18.124 0.161 4.631 1.00 0.00 C ATOM 0 H THR A 22 16.372 2.146 2.847 1.00 0.00 H new ATOM 0 HA THR A 22 16.855 -0.695 2.502 1.00 0.00 H new ATOM 0 HB THR A 22 16.197 -0.684 4.991 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.324 1.447 5.961 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.373 0.244 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.526 -0.772 4.236 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.558 1.001 4.089 1.00 0.00 H new ATOM 280 N THR A 23 13.864 0.518 3.281 1.00 0.00 N ATOM 281 CA THR A 23 12.435 0.232 3.236 1.00 0.00 C ATOM 282 C THR A 23 11.643 1.459 2.800 1.00 0.00 C ATOM 283 O THR A 23 12.141 2.584 2.854 1.00 0.00 O ATOM 284 CB THR A 23 11.914 -0.243 4.605 1.00 0.00 C ATOM 285 OG1 THR A 23 12.007 0.819 5.560 1.00 0.00 O ATOM 286 CG2 THR A 23 12.705 -1.446 5.097 1.00 0.00 C ATOM 0 H THR A 23 14.098 1.441 3.646 1.00 0.00 H new ATOM 0 HA THR A 23 12.294 -0.565 2.506 1.00 0.00 H new ATOM 0 HB THR A 23 10.871 -0.537 4.490 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.672 0.509 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.319 -1.764 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.608 -2.263 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.756 -1.174 5.197 1.00 0.00 H new ATOM 294 N VAL A 24 10.405 1.236 2.370 1.00 0.00 N ATOM 295 CA VAL A 24 9.542 2.325 1.928 1.00 0.00 C ATOM 296 C VAL A 24 8.333 2.475 2.845 1.00 0.00 C ATOM 297 O VAL A 24 7.886 1.510 3.465 1.00 0.00 O ATOM 298 CB VAL A 24 9.053 2.102 0.484 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.233 2.015 -0.472 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.194 0.849 0.400 1.00 0.00 C ATOM 0 H VAL A 24 9.977 0.311 2.318 1.00 0.00 H new ATOM 0 HA VAL A 24 10.138 3.237 1.966 1.00 0.00 H new ATOM 0 HB VAL A 24 8.441 2.955 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.868 1.857 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.803 2.943 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.874 1.182 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.857 0.707 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.780 -0.015 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.329 0.957 1.054 1.00 0.00 H new ATOM 310 N THR A 25 7.806 3.693 2.925 1.00 0.00 N ATOM 311 CA THR A 25 6.649 3.971 3.767 1.00 0.00 C ATOM 312 C THR A 25 5.510 4.574 2.953 1.00 0.00 C ATOM 313 O THR A 25 5.731 5.431 2.098 1.00 0.00 O ATOM 314 CB THR A 25 7.008 4.931 4.916 1.00 0.00 C ATOM 315 OG1 THR A 25 8.215 4.501 5.555 1.00 0.00 O ATOM 316 CG2 THR A 25 5.883 4.997 5.938 1.00 0.00 C ATOM 0 H THR A 25 8.162 4.503 2.417 1.00 0.00 H new ATOM 0 HA THR A 25 6.327 3.018 4.187 1.00 0.00 H new ATOM 0 HB THR A 25 7.155 5.926 4.496 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.437 5.118 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.160 5.681 6.740 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.973 5.353 5.455 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.709 4.004 6.352 1.00 0.00 H new ATOM 324 N MET A 26 4.290 4.122 3.225 1.00 0.00 N ATOM 325 CA MET A 26 3.115 4.619 2.519 1.00 0.00 C ATOM 326 C MET A 26 2.100 5.203 3.496 1.00 0.00 C ATOM 327 O MET A 26 2.203 5.003 4.706 1.00 0.00 O ATOM 328 CB MET A 26 2.470 3.496 1.705 1.00 0.00 C ATOM 329 CG MET A 26 3.353 2.973 0.584 1.00 0.00 C ATOM 330 SD MET A 26 3.779 4.248 -0.618 1.00 0.00 S ATOM 331 CE MET A 26 2.483 4.015 -1.832 1.00 0.00 C ATOM 0 H MET A 26 4.090 3.412 3.930 1.00 0.00 H new ATOM 0 HA MET A 26 3.437 5.410 1.842 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.219 2.672 2.373 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.534 3.858 1.280 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.268 2.561 1.010 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.842 2.156 0.075 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.200 4.980 -2.252 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.844 3.365 -2.629 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.616 3.558 -1.355 1.00 0.00 H new ATOM 341 N ARG A 27 1.121 5.926 2.963 1.00 0.00 N ATOM 342 CA ARG A 27 0.088 6.540 3.788 1.00 0.00 C ATOM 343 C ARG A 27 -1.226 6.654 3.021 1.00 0.00 C ATOM 344 O ARG A 27 -1.231 6.849 1.805 1.00 0.00 O ATOM 345 CB ARG A 27 0.537 7.925 4.259 1.00 0.00 C ATOM 346 CG ARG A 27 0.453 8.992 3.179 1.00 0.00 C ATOM 347 CD ARG A 27 0.667 10.384 3.754 1.00 0.00 C ATOM 348 NE ARG A 27 -0.586 10.991 4.197 1.00 0.00 N ATOM 349 CZ ARG A 27 -0.745 12.297 4.378 1.00 0.00 C ATOM 350 NH1 ARG A 27 0.263 13.129 4.155 1.00 0.00 N ATOM 351 NH2 ARG A 27 -1.915 12.774 4.783 1.00 0.00 N ATOM 0 H ARG A 27 1.021 6.101 1.963 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.073 5.902 4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.078 8.228 5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.565 7.862 4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.202 8.795 2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.521 8.944 2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.359 10.327 4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.132 11.020 3.001 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.382 10.379 4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.164 12.767 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.137 14.132 4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.693 12.137 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.036 13.777 4.922 1.00 0.00 H new ATOM 365 N TRP A 28 -2.337 6.530 3.738 1.00 0.00 N ATOM 366 CA TRP A 28 -3.657 6.619 3.124 1.00 0.00 C ATOM 367 C TRP A 28 -4.712 7.002 4.155 1.00 0.00 C ATOM 368 O TRP A 28 -4.459 6.963 5.360 1.00 0.00 O ATOM 369 CB TRP A 28 -4.027 5.287 2.468 1.00 0.00 C ATOM 370 CG TRP A 28 -4.221 4.174 3.452 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.300 3.978 4.265 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.309 3.104 3.727 1.00 0.00 C ATOM 373 NE1 TRP A 28 -5.115 2.851 5.030 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.902 2.297 4.718 1.00 0.00 C ATOM 375 CE3 TRP A 28 -2.052 2.749 3.232 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.277 1.159 5.221 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.433 1.620 3.732 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.046 0.835 4.718 1.00 0.00 C ATOM 0 H TRP A 28 -2.350 6.368 4.745 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.624 7.396 2.360 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.943 5.416 1.891 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.244 5.007 1.764 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.171 4.615 4.302 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.774 2.487 5.718 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.572 3.347 2.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.747 0.553 5.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.460 1.337 3.357 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.537 -0.043 5.088 1.00 0.00 H new ATOM 389 N ARG A 29 -5.896 7.371 3.676 1.00 0.00 N ATOM 390 CA ARG A 29 -6.989 7.762 4.557 1.00 0.00 C ATOM 391 C ARG A 29 -8.190 6.837 4.377 1.00 0.00 C ATOM 392 O ARG A 29 -8.378 6.222 3.328 1.00 0.00 O ATOM 393 CB ARG A 29 -7.401 9.209 4.283 1.00 0.00 C ATOM 394 CG ARG A 29 -6.636 10.228 5.112 1.00 0.00 C ATOM 395 CD ARG A 29 -7.458 11.485 5.347 1.00 0.00 C ATOM 396 NE ARG A 29 -6.616 12.643 5.636 1.00 0.00 N ATOM 397 CZ ARG A 29 -7.084 13.881 5.752 1.00 0.00 C ATOM 398 NH1 ARG A 29 -8.380 14.120 5.605 1.00 0.00 N ATOM 399 NH2 ARG A 29 -6.255 14.883 6.017 1.00 0.00 N ATOM 0 H ARG A 29 -6.122 7.407 2.682 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.640 7.680 5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.250 9.427 3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.467 9.318 4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.362 9.787 6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.708 10.489 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.067 11.690 4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.144 11.319 6.177 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.614 12.493 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.020 13.352 5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.737 15.071 5.695 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.258 14.703 6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.615 15.833 6.106 1.00 0.00 H new ATOM 413 N PRO A 30 -9.021 6.736 5.425 1.00 0.00 N ATOM 414 CA PRO A 30 -10.217 5.889 5.407 1.00 0.00 C ATOM 415 C PRO A 30 -11.297 6.431 4.478 1.00 0.00 C ATOM 416 O PRO A 30 -11.250 7.578 4.034 1.00 0.00 O ATOM 417 CB PRO A 30 -10.697 5.922 6.861 1.00 0.00 C ATOM 418 CG PRO A 30 -10.168 7.204 7.405 1.00 0.00 C ATOM 419 CD PRO A 30 -8.857 7.441 6.708 1.00 0.00 C ATOM 0 HA PRO A 30 -10.001 4.887 5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.785 5.886 6.920 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.319 5.068 7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.863 8.023 7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.030 7.142 8.485 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.666 8.504 6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.019 7.043 7.281 1.00 0.00 H new ATOM 427 N PRO A 31 -12.296 5.588 4.174 1.00 0.00 N ATOM 428 CA PRO A 31 -13.408 5.961 3.295 1.00 0.00 C ATOM 429 C PRO A 31 -14.336 6.985 3.938 1.00 0.00 C ATOM 430 O PRO A 31 -14.557 6.963 5.149 1.00 0.00 O ATOM 431 CB PRO A 31 -14.143 4.638 3.072 1.00 0.00 C ATOM 432 CG PRO A 31 -13.812 3.814 4.268 1.00 0.00 C ATOM 433 CD PRO A 31 -12.416 4.205 4.667 1.00 0.00 C ATOM 0 HA PRO A 31 -13.061 6.431 2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.218 4.793 2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.814 4.152 2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.516 4.002 5.078 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.868 2.750 4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.276 4.149 5.747 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.671 3.551 4.215 1.00 0.00 H new ATOM 441 N ASP A 32 -14.879 7.881 3.121 1.00 0.00 N ATOM 442 CA ASP A 32 -15.785 8.913 3.610 1.00 0.00 C ATOM 443 C ASP A 32 -16.656 8.378 4.743 1.00 0.00 C ATOM 444 O ASP A 32 -16.791 9.014 5.789 1.00 0.00 O ATOM 445 CB ASP A 32 -16.668 9.428 2.472 1.00 0.00 C ATOM 446 CG ASP A 32 -17.175 10.834 2.724 1.00 0.00 C ATOM 447 OD1 ASP A 32 -17.799 11.059 3.781 1.00 0.00 O ATOM 448 OD2 ASP A 32 -16.948 11.710 1.862 1.00 0.00 O ATOM 0 H ASP A 32 -14.707 7.913 2.116 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.184 9.737 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.102 9.410 1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.517 8.757 2.342 1.00 0.00 H new ATOM 453 N HIS A 33 -17.246 7.207 4.527 1.00 0.00 N ATOM 454 CA HIS A 33 -18.104 6.586 5.530 1.00 0.00 C ATOM 455 C HIS A 33 -18.273 5.096 5.253 1.00 0.00 C ATOM 456 O HIS A 33 -18.283 4.666 4.099 1.00 0.00 O ATOM 457 CB HIS A 33 -19.471 7.271 5.555 1.00 0.00 C ATOM 458 CG HIS A 33 -20.238 7.030 6.819 1.00 0.00 C ATOM 459 ND1 HIS A 33 -21.405 6.296 6.863 1.00 0.00 N ATOM 460 CD2 HIS A 33 -19.998 7.430 8.090 1.00 0.00 C ATOM 461 CE1 HIS A 33 -21.850 6.257 8.107 1.00 0.00 C ATOM 462 NE2 HIS A 33 -21.014 6.937 8.871 1.00 0.00 N ATOM 0 H HIS A 33 -17.146 6.669 3.666 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.628 6.704 6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.333 8.344 5.422 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -20.061 6.918 4.709 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -19.163 8.026 8.427 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -22.745 5.754 8.442 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -21.108 7.074 9.877 1.00 0.00 H new ATOM 471 N ILE A 34 -18.405 4.312 6.319 1.00 0.00 N ATOM 472 CA ILE A 34 -18.574 2.870 6.190 1.00 0.00 C ATOM 473 C ILE A 34 -20.008 2.455 6.499 1.00 0.00 C ATOM 474 O ILE A 34 -20.602 2.915 7.474 1.00 0.00 O ATOM 475 CB ILE A 34 -17.617 2.106 7.124 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.163 2.390 6.743 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.903 0.613 7.067 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.653 3.720 7.254 1.00 0.00 C ATOM 0 H ILE A 34 -18.398 4.652 7.281 1.00 0.00 H new ATOM 0 HA ILE A 34 -18.340 2.615 5.156 1.00 0.00 H new ATOM 0 HB ILE A 34 -17.779 2.449 8.146 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -15.531 1.593 7.135 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.069 2.367 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.219 0.086 7.732 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.930 0.427 7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.765 0.255 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.616 3.854 6.947 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -16.261 4.525 6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.714 3.739 8.342 1.00 0.00 H new ATOM 517 N GLY A 38 -19.263 -3.307 8.449 1.00 0.00 N ATOM 518 CA GLY A 38 -18.139 -2.613 9.049 1.00 0.00 C ATOM 519 C GLY A 38 -16.879 -2.719 8.213 1.00 0.00 C ATOM 520 O GLY A 38 -16.887 -3.320 7.138 1.00 0.00 O ATOM 0 HA2 GLY A 38 -18.395 -1.562 9.184 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.949 -3.024 10.040 1.00 0.00 H new ATOM 524 N LEU A 39 -15.793 -2.134 8.705 1.00 0.00 N ATOM 525 CA LEU A 39 -14.519 -2.164 7.995 1.00 0.00 C ATOM 526 C LEU A 39 -13.474 -2.945 8.785 1.00 0.00 C ATOM 527 O LEU A 39 -13.384 -2.821 10.006 1.00 0.00 O ATOM 528 CB LEU A 39 -14.022 -0.740 7.739 1.00 0.00 C ATOM 529 CG LEU A 39 -12.538 -0.598 7.397 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.302 -0.875 5.920 1.00 0.00 C ATOM 531 CD2 LEU A 39 -12.035 0.789 7.769 1.00 0.00 C ATOM 0 H LEU A 39 -15.769 -1.633 9.593 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.675 -2.665 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.605 -0.315 6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.229 -0.140 8.625 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.979 -1.332 7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.241 -0.769 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.624 -1.889 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.872 -0.165 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.977 0.872 7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.599 1.541 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.168 0.949 8.839 1.00 0.00 H new ATOM 543 N ASP A 40 -12.685 -3.748 8.079 1.00 0.00 N ATOM 544 CA ASP A 40 -11.644 -4.547 8.714 1.00 0.00 C ATOM 545 C ASP A 40 -10.268 -4.179 8.168 1.00 0.00 C ATOM 546 O ASP A 40 -9.875 -4.626 7.091 1.00 0.00 O ATOM 547 CB ASP A 40 -11.910 -6.038 8.495 1.00 0.00 C ATOM 548 CG ASP A 40 -13.349 -6.417 8.786 1.00 0.00 C ATOM 549 OD1 ASP A 40 -13.808 -6.178 9.922 1.00 0.00 O ATOM 550 OD2 ASP A 40 -14.016 -6.952 7.876 1.00 0.00 O ATOM 0 H ASP A 40 -12.747 -3.863 7.067 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.660 -4.336 9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.669 -6.300 7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.247 -6.620 9.135 1.00 0.00 H new ATOM 555 N GLY A 41 -9.539 -3.358 8.919 1.00 0.00 N ATOM 556 CA GLY A 41 -8.216 -2.942 8.493 1.00 0.00 C ATOM 557 C GLY A 41 -8.127 -2.735 6.994 1.00 0.00 C ATOM 558 O GLY A 41 -9.100 -2.329 6.358 1.00 0.00 O ATOM 0 H GLY A 41 -9.841 -2.974 9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.949 -2.015 9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.487 -3.693 8.797 1.00 0.00 H new ATOM 562 N TYR A 42 -6.957 -3.013 6.429 1.00 0.00 N ATOM 563 CA TYR A 42 -6.744 -2.851 4.995 1.00 0.00 C ATOM 564 C TYR A 42 -5.703 -3.842 4.484 1.00 0.00 C ATOM 565 O TYR A 42 -4.861 -4.323 5.243 1.00 0.00 O ATOM 566 CB TYR A 42 -6.300 -1.421 4.683 1.00 0.00 C ATOM 567 CG TYR A 42 -7.016 -0.372 5.503 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.574 -0.038 6.778 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.134 0.284 5.005 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.225 0.919 7.531 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.791 1.244 5.751 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.332 1.558 7.014 1.00 0.00 C ATOM 573 OH TYR A 42 -8.984 2.512 7.760 1.00 0.00 O ATOM 0 H TYR A 42 -6.142 -3.351 6.941 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.688 -3.050 4.488 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.227 -1.336 4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.468 -1.220 3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.707 -0.535 7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.496 0.040 4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.869 1.166 8.520 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.658 1.746 5.348 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.742 2.865 7.249 1.00 0.00 H new ATOM 583 N VAL A 43 -5.765 -4.142 3.191 1.00 0.00 N ATOM 584 CA VAL A 43 -4.828 -5.074 2.576 1.00 0.00 C ATOM 585 C VAL A 43 -3.872 -4.351 1.634 1.00 0.00 C ATOM 586 O VAL A 43 -4.300 -3.615 0.742 1.00 0.00 O ATOM 587 CB VAL A 43 -5.565 -6.178 1.794 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.570 -7.113 1.124 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.497 -6.950 2.715 1.00 0.00 C ATOM 0 H VAL A 43 -6.455 -3.753 2.549 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.259 -5.531 3.386 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.166 -5.708 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.109 -7.886 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.947 -6.546 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.940 -7.578 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.010 -7.726 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.918 -7.410 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.232 -6.268 3.143 1.00 0.00 H new ATOM 599 N LEU A 44 -2.577 -4.564 1.835 1.00 0.00 N ATOM 600 CA LEU A 44 -1.559 -3.932 1.003 1.00 0.00 C ATOM 601 C LEU A 44 -0.675 -4.980 0.335 1.00 0.00 C ATOM 602 O LEU A 44 -0.205 -5.914 0.984 1.00 0.00 O ATOM 603 CB LEU A 44 -0.700 -2.985 1.844 1.00 0.00 C ATOM 604 CG LEU A 44 0.071 -1.915 1.071 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.277 -0.678 1.932 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.409 -2.462 0.593 1.00 0.00 C ATOM 0 H LEU A 44 -2.206 -5.170 2.567 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.064 -3.360 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.345 -2.488 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.015 -3.582 2.411 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.517 -1.631 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.828 0.073 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.692 -0.273 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.843 -0.946 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.944 -1.687 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.002 -2.774 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.240 -3.318 -0.061 1.00 0.00 H new ATOM 618 N GLU A 45 -0.452 -4.817 -0.966 1.00 0.00 N ATOM 619 CA GLU A 45 0.377 -5.749 -1.721 1.00 0.00 C ATOM 620 C GLU A 45 1.352 -5.000 -2.625 1.00 0.00 C ATOM 621 O GLU A 45 1.196 -3.803 -2.867 1.00 0.00 O ATOM 622 CB GLU A 45 -0.500 -6.682 -2.559 1.00 0.00 C ATOM 623 CG GLU A 45 -1.477 -7.502 -1.734 1.00 0.00 C ATOM 624 CD GLU A 45 -2.499 -8.226 -2.590 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.173 -8.556 -3.749 1.00 0.00 O ATOM 626 OE2 GLU A 45 -3.623 -8.461 -2.101 1.00 0.00 O ATOM 0 H GLU A 45 -0.834 -4.049 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 45 0.951 -6.343 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.058 -6.089 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.141 -7.358 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.924 -8.230 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.994 -6.847 -1.033 1.00 0.00 H new ATOM 633 N TYR A 46 2.356 -5.714 -3.122 1.00 0.00 N ATOM 634 CA TYR A 46 3.358 -5.118 -3.997 1.00 0.00 C ATOM 635 C TYR A 46 3.839 -6.123 -5.039 1.00 0.00 C ATOM 636 O TYR A 46 4.001 -7.308 -4.745 1.00 0.00 O ATOM 637 CB TYR A 46 4.545 -4.609 -3.177 1.00 0.00 C ATOM 638 CG TYR A 46 5.382 -5.714 -2.574 1.00 0.00 C ATOM 639 CD1 TYR A 46 4.905 -6.478 -1.517 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.652 -5.996 -3.065 1.00 0.00 C ATOM 641 CE1 TYR A 46 5.667 -7.488 -0.963 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.421 -7.005 -2.518 1.00 0.00 C ATOM 643 CZ TYR A 46 6.924 -7.748 -1.467 1.00 0.00 C ATOM 644 OH TYR A 46 7.687 -8.754 -0.920 1.00 0.00 O ATOM 0 H TYR A 46 2.497 -6.706 -2.934 1.00 0.00 H new ATOM 0 HA TYR A 46 2.896 -4.278 -4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.178 -3.992 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.175 -3.967 -2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.920 -6.279 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.044 -5.416 -3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.281 -8.071 -0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.406 -7.211 -2.911 1.00 0.00 H new ATOM 0 HH TYR A 46 8.545 -8.807 -1.391 1.00 0.00 H new ATOM 654 N CYS A 47 4.067 -5.641 -6.255 1.00 0.00 N ATOM 655 CA CYS A 47 4.529 -6.497 -7.342 1.00 0.00 C ATOM 656 C CYS A 47 5.973 -6.172 -7.712 1.00 0.00 C ATOM 657 O CYS A 47 6.279 -5.063 -8.151 1.00 0.00 O ATOM 658 CB CYS A 47 3.628 -6.334 -8.567 1.00 0.00 C ATOM 659 SG CYS A 47 4.106 -7.358 -9.978 1.00 0.00 S ATOM 0 H CYS A 47 3.940 -4.663 -6.513 1.00 0.00 H new ATOM 0 HA CYS A 47 4.483 -7.531 -7.002 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.603 -6.578 -8.286 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.635 -5.288 -8.873 1.00 0.00 H new ATOM 0 HG CYS A 47 4.018 -8.614 -9.653 1.00 0.00 H new ATOM 665 N PHE A 48 6.858 -7.147 -7.531 1.00 0.00 N ATOM 666 CA PHE A 48 8.271 -6.965 -7.844 1.00 0.00 C ATOM 667 C PHE A 48 8.517 -7.094 -9.344 1.00 0.00 C ATOM 668 O PHE A 48 7.993 -7.997 -9.994 1.00 0.00 O ATOM 669 CB PHE A 48 9.118 -7.989 -7.086 1.00 0.00 C ATOM 670 CG PHE A 48 10.496 -7.496 -6.750 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.729 -6.800 -5.574 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.559 -7.727 -7.609 1.00 0.00 C ATOM 673 CE1 PHE A 48 11.996 -6.345 -5.261 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.828 -7.274 -7.300 1.00 0.00 C ATOM 675 CZ PHE A 48 13.046 -6.581 -6.126 1.00 0.00 C ATOM 0 H PHE A 48 6.622 -8.071 -7.169 1.00 0.00 H new ATOM 0 HA PHE A 48 8.561 -5.962 -7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.604 -8.263 -6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.201 -8.895 -7.686 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.911 -6.611 -4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.394 -8.267 -8.530 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.165 -5.805 -4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.648 -7.462 -7.977 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.036 -6.224 -5.885 1.00 0.00 H new ATOM 685 N GLU A 49 9.319 -6.182 -9.886 1.00 0.00 N ATOM 686 CA GLU A 49 9.633 -6.193 -11.310 1.00 0.00 C ATOM 687 C GLU A 49 10.110 -7.573 -11.751 1.00 0.00 C ATOM 688 O GLU A 49 10.905 -8.216 -11.067 1.00 0.00 O ATOM 689 CB GLU A 49 10.704 -5.147 -11.626 1.00 0.00 C ATOM 690 CG GLU A 49 12.009 -5.367 -10.880 1.00 0.00 C ATOM 691 CD GLU A 49 13.175 -4.633 -11.513 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.039 -3.420 -11.777 1.00 0.00 O ATOM 693 OE2 GLU A 49 14.223 -5.271 -11.746 1.00 0.00 O ATOM 0 H GLU A 49 9.762 -5.428 -9.361 1.00 0.00 H new ATOM 0 HA GLU A 49 8.723 -5.949 -11.859 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.902 -5.155 -12.698 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.317 -4.158 -11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.893 -5.036 -9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.230 -6.434 -10.849 1.00 0.00 H new ATOM 700 N GLY A 50 9.616 -8.024 -12.901 1.00 0.00 N ATOM 701 CA GLY A 50 10.001 -9.325 -13.415 1.00 0.00 C ATOM 702 C GLY A 50 8.965 -10.393 -13.125 1.00 0.00 C ATOM 703 O GLY A 50 8.597 -11.169 -14.008 1.00 0.00 O ATOM 0 H GLY A 50 8.956 -7.511 -13.485 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.155 -9.256 -14.492 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.954 -9.619 -12.975 1.00 0.00 H new ATOM 707 N THR A 51 8.493 -10.435 -11.883 1.00 0.00 N ATOM 708 CA THR A 51 7.495 -11.417 -11.478 1.00 0.00 C ATOM 709 C THR A 51 6.091 -10.967 -11.866 1.00 0.00 C ATOM 710 O THR A 51 5.629 -9.909 -11.440 1.00 0.00 O ATOM 711 CB THR A 51 7.539 -11.668 -9.959 1.00 0.00 C ATOM 712 OG1 THR A 51 7.227 -10.462 -9.253 1.00 0.00 O ATOM 713 CG2 THR A 51 8.910 -12.171 -9.533 1.00 0.00 C ATOM 0 H THR A 51 8.786 -9.800 -11.140 1.00 0.00 H new ATOM 0 HA THR A 51 7.734 -12.344 -12.000 1.00 0.00 H new ATOM 0 HB THR A 51 6.799 -12.431 -9.718 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.449 -9.689 -9.812 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.917 -12.341 -8.456 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.131 -13.105 -10.049 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.666 -11.428 -9.788 1.00 0.00 H new ATOM 721 N GLU A 52 5.418 -11.777 -12.677 1.00 0.00 N ATOM 722 CA GLU A 52 4.066 -11.461 -13.122 1.00 0.00 C ATOM 723 C GLU A 52 3.038 -11.869 -12.071 1.00 0.00 C ATOM 724 O GLU A 52 1.963 -12.371 -12.401 1.00 0.00 O ATOM 725 CB GLU A 52 3.764 -12.164 -14.447 1.00 0.00 C ATOM 726 CG GLU A 52 3.919 -13.674 -14.384 1.00 0.00 C ATOM 727 CD GLU A 52 3.528 -14.356 -15.681 1.00 0.00 C ATOM 728 OE1 GLU A 52 2.323 -14.622 -15.871 1.00 0.00 O ATOM 729 OE2 GLU A 52 4.427 -14.623 -16.506 1.00 0.00 O ATOM 0 H GLU A 52 5.787 -12.656 -13.039 1.00 0.00 H new ATOM 0 HA GLU A 52 4.002 -10.383 -13.268 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.745 -11.924 -14.752 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.428 -11.771 -15.217 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.954 -13.919 -14.147 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.305 -14.065 -13.573 1.00 0.00 H new ATOM 736 N ASP A 53 3.375 -11.649 -10.806 1.00 0.00 N ATOM 737 CA ASP A 53 2.482 -11.993 -9.705 1.00 0.00 C ATOM 738 C ASP A 53 2.551 -10.943 -8.601 1.00 0.00 C ATOM 739 O ASP A 53 3.609 -10.368 -8.343 1.00 0.00 O ATOM 740 CB ASP A 53 2.839 -13.369 -9.141 1.00 0.00 C ATOM 741 CG ASP A 53 1.854 -13.836 -8.087 1.00 0.00 C ATOM 742 OD1 ASP A 53 0.675 -14.056 -8.434 1.00 0.00 O ATOM 743 OD2 ASP A 53 2.262 -13.981 -6.916 1.00 0.00 O ATOM 0 H ASP A 53 4.261 -11.234 -10.516 1.00 0.00 H new ATOM 0 HA ASP A 53 1.463 -12.021 -10.091 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.869 -14.095 -9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.839 -13.333 -8.709 1.00 0.00 H new ATOM 748 N TRP A 54 1.418 -10.698 -7.953 1.00 0.00 N ATOM 749 CA TRP A 54 1.350 -9.716 -6.877 1.00 0.00 C ATOM 750 C TRP A 54 1.644 -10.365 -5.529 1.00 0.00 C ATOM 751 O TRP A 54 0.862 -11.180 -5.039 1.00 0.00 O ATOM 752 CB TRP A 54 -0.029 -9.055 -6.848 1.00 0.00 C ATOM 753 CG TRP A 54 -0.185 -7.964 -7.865 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.797 -8.060 -9.082 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.280 -6.615 -7.752 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.741 -6.851 -9.733 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.086 -5.948 -8.938 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.967 -5.904 -6.765 1.00 0.00 C ATOM 759 CZ2 TRP A 54 0.215 -4.607 -9.160 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.265 -4.573 -6.987 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.889 -3.936 -8.177 1.00 0.00 C ATOM 0 H TRP A 54 0.534 -11.166 -8.154 1.00 0.00 H new ATOM 0 HA TRP A 54 2.106 -8.954 -7.066 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.792 -9.814 -7.020 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.206 -8.644 -5.854 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.257 -8.954 -9.475 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.125 -6.657 -10.658 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.260 -6.386 -5.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.074 -4.114 -10.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.797 -4.015 -6.231 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.136 -2.895 -8.321 1.00 0.00 H new ATOM 772 N ILE A 55 2.775 -9.998 -4.934 1.00 0.00 N ATOM 773 CA ILE A 55 3.170 -10.544 -3.642 1.00 0.00 C ATOM 774 C ILE A 55 2.414 -9.866 -2.504 1.00 0.00 C ATOM 775 O ILE A 55 2.021 -8.705 -2.611 1.00 0.00 O ATOM 776 CB ILE A 55 4.683 -10.387 -3.403 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.472 -11.149 -4.471 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.054 -10.878 -2.012 1.00 0.00 C ATOM 779 CD1 ILE A 55 6.832 -10.552 -4.757 1.00 0.00 C ATOM 0 H ILE A 55 3.433 -9.325 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 55 2.921 -11.605 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 55 4.939 -9.330 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.598 -12.183 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.892 -11.170 -5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.127 -10.760 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.515 -10.296 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.787 -11.930 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.335 -11.142 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.713 -9.527 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.430 -10.555 -3.846 1.00 0.00 H new ATOM 791 N VAL A 56 2.215 -10.600 -1.414 1.00 0.00 N ATOM 792 CA VAL A 56 1.509 -10.069 -0.254 1.00 0.00 C ATOM 793 C VAL A 56 2.480 -9.448 0.744 1.00 0.00 C ATOM 794 O VAL A 56 3.417 -10.101 1.202 1.00 0.00 O ATOM 795 CB VAL A 56 0.692 -11.165 0.456 1.00 0.00 C ATOM 796 CG1 VAL A 56 0.005 -10.604 1.692 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.325 -11.773 -0.499 1.00 0.00 C ATOM 0 H VAL A 56 2.533 -11.564 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 56 0.830 -9.300 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 56 1.374 -11.953 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.567 -11.393 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.756 -10.220 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.666 -9.796 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.894 -12.546 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.004 -10.996 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.194 -12.213 -1.351 1.00 0.00 H new ATOM 807 N ALA A 57 2.248 -8.182 1.077 1.00 0.00 N ATOM 808 CA ALA A 57 3.101 -7.473 2.023 1.00 0.00 C ATOM 809 C ALA A 57 2.728 -7.815 3.461 1.00 0.00 C ATOM 810 O ALA A 57 3.597 -7.977 4.316 1.00 0.00 O ATOM 811 CB ALA A 57 3.009 -5.972 1.794 1.00 0.00 C ATOM 0 H ALA A 57 1.477 -7.627 0.706 1.00 0.00 H new ATOM 0 HA ALA A 57 4.130 -7.792 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.651 -5.455 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.332 -5.738 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.978 -5.646 1.931 1.00 0.00 H new ATOM 817 N ASN A 58 1.429 -7.921 3.721 1.00 0.00 N ATOM 818 CA ASN A 58 0.941 -8.242 5.058 1.00 0.00 C ATOM 819 C ASN A 58 -0.286 -9.147 4.986 1.00 0.00 C ATOM 820 O ASN A 58 -1.242 -8.860 4.266 1.00 0.00 O ATOM 821 CB ASN A 58 0.599 -6.960 5.820 1.00 0.00 C ATOM 822 CG ASN A 58 -0.541 -6.193 5.179 1.00 0.00 C ATOM 823 OD1 ASN A 58 -0.325 -5.360 4.298 1.00 0.00 O ATOM 824 ND2 ASN A 58 -1.763 -6.471 5.619 1.00 0.00 N ATOM 0 H ASN A 58 0.696 -7.789 3.024 1.00 0.00 H new ATOM 0 HA ASN A 58 1.731 -8.772 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.332 -7.211 6.847 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.482 -6.322 5.867 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.569 -5.987 5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.895 -7.169 6.351 1.00 0.00 H new ATOM 831 N LYS A 59 -0.251 -10.242 5.738 1.00 0.00 N ATOM 832 CA LYS A 59 -1.360 -11.189 5.763 1.00 0.00 C ATOM 833 C LYS A 59 -2.483 -10.689 6.666 1.00 0.00 C ATOM 834 O LYS A 59 -3.646 -10.652 6.264 1.00 0.00 O ATOM 835 CB LYS A 59 -0.876 -12.559 6.244 1.00 0.00 C ATOM 836 CG LYS A 59 -1.662 -13.720 5.660 1.00 0.00 C ATOM 837 CD LYS A 59 -2.935 -13.984 6.446 1.00 0.00 C ATOM 838 CE LYS A 59 -2.669 -14.859 7.660 1.00 0.00 C ATOM 839 NZ LYS A 59 -2.804 -16.307 7.340 1.00 0.00 N ATOM 0 H LYS A 59 0.534 -10.496 6.338 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.748 -11.283 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.176 -12.676 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.941 -12.597 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.913 -13.505 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.042 -14.616 5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.369 -13.037 6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.668 -14.468 5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.665 -14.662 8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.365 -14.597 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.615 -16.870 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.769 -16.500 7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.122 -16.564 6.598 1.00 0.00 H new ATOM 853 N ASP A 60 -2.127 -10.303 7.886 1.00 0.00 N ATOM 854 CA ASP A 60 -3.105 -9.803 8.845 1.00 0.00 C ATOM 855 C ASP A 60 -3.652 -8.448 8.407 1.00 0.00 C ATOM 856 O ASP A 60 -3.224 -7.891 7.395 1.00 0.00 O ATOM 857 CB ASP A 60 -2.475 -9.687 10.234 1.00 0.00 C ATOM 858 CG ASP A 60 -2.186 -11.040 10.854 1.00 0.00 C ATOM 859 OD1 ASP A 60 -2.992 -11.971 10.648 1.00 0.00 O ATOM 860 OD2 ASP A 60 -1.153 -11.168 11.544 1.00 0.00 O ATOM 0 H ASP A 60 -1.169 -10.327 8.234 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.932 -10.512 8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.548 -9.118 10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.144 -9.127 10.887 1.00 0.00 H new ATOM 865 N LEU A 61 -4.602 -7.923 9.173 1.00 0.00 N ATOM 866 CA LEU A 61 -5.209 -6.633 8.863 1.00 0.00 C ATOM 867 C LEU A 61 -4.381 -5.489 9.439 1.00 0.00 C ATOM 868 O LEU A 61 -3.923 -5.554 10.580 1.00 0.00 O ATOM 869 CB LEU A 61 -6.635 -6.573 9.414 1.00 0.00 C ATOM 870 CG LEU A 61 -7.528 -7.773 9.096 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.550 -7.986 10.202 1.00 0.00 C ATOM 872 CD2 LEU A 61 -8.222 -7.581 7.755 1.00 0.00 C ATOM 0 H LEU A 61 -4.969 -8.370 10.013 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.240 -6.525 7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.580 -6.463 10.497 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.116 -5.675 9.026 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.901 -8.662 9.034 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.176 -8.844 9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.034 -8.170 11.144 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.174 -7.097 10.297 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.853 -8.444 7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.837 -6.682 7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.473 -7.479 6.969 1.00 0.00 H new ATOM 884 N ILE A 62 -4.195 -4.442 8.643 1.00 0.00 N ATOM 885 CA ILE A 62 -3.425 -3.282 9.075 1.00 0.00 C ATOM 886 C ILE A 62 -4.306 -2.282 9.816 1.00 0.00 C ATOM 887 O ILE A 62 -5.129 -1.595 9.210 1.00 0.00 O ATOM 888 CB ILE A 62 -2.756 -2.574 7.882 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.028 -3.590 7.001 1.00 0.00 C ATOM 890 CG2 ILE A 62 -1.792 -1.504 8.374 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.695 -3.065 5.621 1.00 0.00 C ATOM 0 H ILE A 62 -4.567 -4.373 7.696 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.651 -3.650 9.749 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.529 -2.092 7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.106 -3.895 7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.647 -4.482 6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.327 -1.012 7.519 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.337 -0.767 8.964 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.021 -1.965 8.991 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.180 -3.839 5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.614 -2.787 5.106 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.050 -2.190 5.710 1.00 0.00 H new ATOM 903 N ASP A 63 -4.128 -2.205 11.130 1.00 0.00 N ATOM 904 CA ASP A 63 -4.905 -1.287 11.955 1.00 0.00 C ATOM 905 C ASP A 63 -4.589 0.163 11.599 1.00 0.00 C ATOM 906 O ASP A 63 -5.469 0.918 11.185 1.00 0.00 O ATOM 907 CB ASP A 63 -4.622 -1.535 13.437 1.00 0.00 C ATOM 908 CG ASP A 63 -5.079 -2.907 13.892 1.00 0.00 C ATOM 909 OD1 ASP A 63 -6.301 -3.100 14.062 1.00 0.00 O ATOM 910 OD2 ASP A 63 -4.214 -3.788 14.078 1.00 0.00 O ATOM 0 H ASP A 63 -3.452 -2.767 11.647 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.962 -1.468 11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.553 -1.432 13.622 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.124 -0.772 14.032 1.00 0.00 H new ATOM 915 N LYS A 64 -3.328 0.546 11.766 1.00 0.00 N ATOM 916 CA LYS A 64 -2.894 1.904 11.463 1.00 0.00 C ATOM 917 C LYS A 64 -3.195 2.261 10.010 1.00 0.00 C ATOM 918 O LYS A 64 -3.588 1.404 9.218 1.00 0.00 O ATOM 919 CB LYS A 64 -1.396 2.056 11.736 1.00 0.00 C ATOM 920 CG LYS A 64 -1.033 1.953 13.207 1.00 0.00 C ATOM 921 CD LYS A 64 -1.467 3.189 13.977 1.00 0.00 C ATOM 922 CE LYS A 64 -0.923 3.181 15.397 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.484 4.294 16.213 1.00 0.00 N ATOM 0 H LYS A 64 -2.588 -0.066 12.110 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.446 2.587 12.109 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.855 1.289 11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.062 3.021 11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.505 1.070 13.638 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.044 1.820 13.308 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.120 4.083 13.458 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.556 3.239 14.004 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.159 2.228 15.871 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.164 3.263 15.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.088 4.254 17.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.237 5.204 15.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.519 4.202 16.260 1.00 0.00 H new ATOM 937 N THR A 65 -3.008 3.531 9.666 1.00 0.00 N ATOM 938 CA THR A 65 -3.259 4.001 8.310 1.00 0.00 C ATOM 939 C THR A 65 -1.958 4.145 7.528 1.00 0.00 C ATOM 940 O THR A 65 -1.896 4.868 6.534 1.00 0.00 O ATOM 941 CB THR A 65 -3.997 5.353 8.311 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.374 6.250 9.237 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.461 5.170 8.680 1.00 0.00 C ATOM 0 H THR A 65 -2.683 4.253 10.309 1.00 0.00 H new ATOM 0 HA THR A 65 -3.888 3.253 7.828 1.00 0.00 H new ATOM 0 HB THR A 65 -3.942 5.773 7.307 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.848 7.108 9.231 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.961 6.138 8.674 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.939 4.510 7.956 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.533 4.730 9.675 1.00 0.00 H new ATOM 951 N LYS A 66 -0.920 3.451 7.983 1.00 0.00 N ATOM 952 CA LYS A 66 0.380 3.499 7.325 1.00 0.00 C ATOM 953 C LYS A 66 1.051 2.130 7.344 1.00 0.00 C ATOM 954 O LYS A 66 0.770 1.302 8.212 1.00 0.00 O ATOM 955 CB LYS A 66 1.282 4.530 8.008 1.00 0.00 C ATOM 956 CG LYS A 66 1.133 5.934 7.448 1.00 0.00 C ATOM 957 CD LYS A 66 2.399 6.751 7.648 1.00 0.00 C ATOM 958 CE LYS A 66 2.472 7.331 9.052 1.00 0.00 C ATOM 959 NZ LYS A 66 1.538 8.478 9.227 1.00 0.00 N ATOM 0 H LYS A 66 -0.954 2.848 8.805 1.00 0.00 H new ATOM 0 HA LYS A 66 0.223 3.792 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.057 4.547 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.321 4.216 7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.898 5.880 6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.295 6.434 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.271 6.123 7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.431 7.559 6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.234 6.554 9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.491 7.658 9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.757 8.972 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.644 9.137 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.559 8.127 9.258 1.00 0.00 H new ATOM 973 N PHE A 67 1.939 1.897 6.384 1.00 0.00 N ATOM 974 CA PHE A 67 2.651 0.628 6.291 1.00 0.00 C ATOM 975 C PHE A 67 4.069 0.836 5.770 1.00 0.00 C ATOM 976 O PHE A 67 4.331 1.761 5.000 1.00 0.00 O ATOM 977 CB PHE A 67 1.895 -0.339 5.376 1.00 0.00 C ATOM 978 CG PHE A 67 2.468 -1.727 5.368 1.00 0.00 C ATOM 979 CD1 PHE A 67 2.069 -2.661 6.311 1.00 0.00 C ATOM 980 CD2 PHE A 67 3.404 -2.099 4.417 1.00 0.00 C ATOM 981 CE1 PHE A 67 2.595 -3.939 6.306 1.00 0.00 C ATOM 982 CE2 PHE A 67 3.933 -3.376 4.406 1.00 0.00 C ATOM 983 CZ PHE A 67 3.527 -4.297 5.352 1.00 0.00 C ATOM 0 H PHE A 67 2.183 2.571 5.658 1.00 0.00 H new ATOM 0 HA PHE A 67 2.711 0.199 7.291 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.853 -0.386 5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.902 0.054 4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.339 -2.387 7.058 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.724 -1.383 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.277 -4.657 7.048 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.662 -3.653 3.659 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.938 -5.296 5.346 1.00 0.00 H new ATOM 993 N THR A 68 4.983 -0.031 6.195 1.00 0.00 N ATOM 994 CA THR A 68 6.375 0.058 5.774 1.00 0.00 C ATOM 995 C THR A 68 6.921 -1.312 5.386 1.00 0.00 C ATOM 996 O THR A 68 7.317 -2.099 6.247 1.00 0.00 O ATOM 997 CB THR A 68 7.261 0.655 6.883 1.00 0.00 C ATOM 998 OG1 THR A 68 6.797 1.965 7.228 1.00 0.00 O ATOM 999 CG2 THR A 68 8.714 0.728 6.435 1.00 0.00 C ATOM 0 H THR A 68 4.783 -0.803 6.831 1.00 0.00 H new ATOM 0 HA THR A 68 6.400 0.716 4.905 1.00 0.00 H new ATOM 0 HB THR A 68 7.199 0.006 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.365 2.337 7.935 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.320 1.153 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.073 -0.274 6.200 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.790 1.357 5.548 1.00 0.00 H new ATOM 1007 N ILE A 69 6.940 -1.591 4.087 1.00 0.00 N ATOM 1008 CA ILE A 69 7.439 -2.865 3.587 1.00 0.00 C ATOM 1009 C ILE A 69 8.810 -3.186 4.171 1.00 0.00 C ATOM 1010 O ILE A 69 9.741 -2.384 4.078 1.00 0.00 O ATOM 1011 CB ILE A 69 7.534 -2.868 2.049 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.166 -2.575 1.431 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.070 -4.203 1.555 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.238 -2.134 -0.014 1.00 0.00 C ATOM 0 H ILE A 69 6.615 -0.951 3.362 1.00 0.00 H new ATOM 0 HA ILE A 69 6.726 -3.628 3.900 1.00 0.00 H new ATOM 0 HB ILE A 69 8.226 -2.084 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.546 -3.469 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.671 -1.799 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.132 -4.190 0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.062 -4.374 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.401 -5.003 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.232 -1.944 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.831 -1.222 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.704 -2.918 -0.611 1.00 0.00 H new ATOM 1026 N THR A 70 8.930 -4.366 4.772 1.00 0.00 N ATOM 1027 CA THR A 70 10.188 -4.794 5.371 1.00 0.00 C ATOM 1028 C THR A 70 10.934 -5.756 4.454 1.00 0.00 C ATOM 1029 O THR A 70 10.353 -6.704 3.928 1.00 0.00 O ATOM 1030 CB THR A 70 9.958 -5.475 6.733 1.00 0.00 C ATOM 1031 OG1 THR A 70 8.921 -6.456 6.622 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.584 -4.451 7.794 1.00 0.00 C ATOM 0 H THR A 70 8.171 -5.042 4.857 1.00 0.00 H new ATOM 0 HA THR A 70 10.790 -3.897 5.518 1.00 0.00 H new ATOM 0 HB THR A 70 10.886 -5.962 7.032 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.978 -6.895 5.748 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.427 -4.956 8.747 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.389 -3.723 7.897 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.668 -3.939 7.499 1.00 0.00 H new ATOM 1040 N GLY A 71 12.227 -5.506 4.267 1.00 0.00 N ATOM 1041 CA GLY A 71 13.032 -6.360 3.413 1.00 0.00 C ATOM 1042 C GLY A 71 12.922 -5.984 1.948 1.00 0.00 C ATOM 1043 O GLY A 71 12.193 -6.624 1.189 1.00 0.00 O ATOM 0 H GLY A 71 12.731 -4.727 4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.075 -6.299 3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.721 -7.396 3.543 1.00 0.00 H new ATOM 1047 N LEU A 72 13.645 -4.944 1.551 1.00 0.00 N ATOM 1048 CA LEU A 72 13.625 -4.482 0.167 1.00 0.00 C ATOM 1049 C LEU A 72 15.035 -4.175 -0.326 1.00 0.00 C ATOM 1050 O LEU A 72 15.822 -3.507 0.346 1.00 0.00 O ATOM 1051 CB LEU A 72 12.745 -3.238 0.036 1.00 0.00 C ATOM 1052 CG LEU A 72 11.260 -3.490 -0.227 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.471 -2.195 -0.119 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.061 -4.126 -1.596 1.00 0.00 C ATOM 0 H LEU A 72 14.253 -4.404 2.167 1.00 0.00 H new ATOM 0 HA LEU A 72 13.210 -5.280 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.837 -2.654 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.138 -2.624 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 72 10.889 -4.181 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.416 -2.394 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.587 -1.781 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.843 -1.480 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.998 -4.298 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.449 -3.460 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.594 -5.076 -1.637 1.00 0.00 H new ATOM 1066 N PRO A 73 15.364 -4.671 -1.528 1.00 0.00 N ATOM 1067 CA PRO A 73 16.680 -4.460 -2.138 1.00 0.00 C ATOM 1068 C PRO A 73 16.894 -3.013 -2.568 1.00 0.00 C ATOM 1069 O PRO A 73 15.975 -2.358 -3.060 1.00 0.00 O ATOM 1070 CB PRO A 73 16.656 -5.383 -3.359 1.00 0.00 C ATOM 1071 CG PRO A 73 15.212 -5.532 -3.693 1.00 0.00 C ATOM 1072 CD PRO A 73 14.476 -5.476 -2.383 1.00 0.00 C ATOM 0 HA PRO A 73 17.491 -4.672 -1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.213 -4.953 -4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.112 -6.347 -3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.882 -4.736 -4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.025 -6.476 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.495 -5.013 -2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.314 -6.472 -1.970 1.00 0.00 H new ATOM 1080 N THR A 74 18.114 -2.519 -2.380 1.00 0.00 N ATOM 1081 CA THR A 74 18.449 -1.149 -2.748 1.00 0.00 C ATOM 1082 C THR A 74 18.428 -0.965 -4.261 1.00 0.00 C ATOM 1083 O THR A 74 18.835 -1.854 -5.009 1.00 0.00 O ATOM 1084 CB THR A 74 19.836 -0.747 -2.212 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.898 -0.965 -0.798 1.00 0.00 O ATOM 1086 CG2 THR A 74 20.132 0.713 -2.519 1.00 0.00 C ATOM 0 H THR A 74 18.887 -3.048 -1.975 1.00 0.00 H new ATOM 0 HA THR A 74 17.693 -0.506 -2.297 1.00 0.00 H new ATOM 0 HB THR A 74 20.585 -1.365 -2.707 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.784 -0.708 -0.466 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.117 0.974 -2.131 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.114 0.869 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.378 1.344 -2.049 1.00 0.00 H new ATOM 1094 N ASP A 75 17.952 0.193 -4.704 1.00 0.00 N ATOM 1095 CA ASP A 75 17.880 0.494 -6.129 1.00 0.00 C ATOM 1096 C ASP A 75 16.979 -0.504 -6.851 1.00 0.00 C ATOM 1097 O ASP A 75 17.348 -1.048 -7.891 1.00 0.00 O ATOM 1098 CB ASP A 75 19.279 0.477 -6.748 1.00 0.00 C ATOM 1099 CG ASP A 75 20.035 1.769 -6.504 1.00 0.00 C ATOM 1100 OD1 ASP A 75 20.000 2.270 -5.361 1.00 0.00 O ATOM 1101 OD2 ASP A 75 20.660 2.279 -7.458 1.00 0.00 O ATOM 0 H ASP A 75 17.610 0.938 -4.097 1.00 0.00 H new ATOM 0 HA ASP A 75 17.453 1.490 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.846 -0.357 -6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.196 0.305 -7.821 1.00 0.00 H new ATOM 1106 N ALA A 76 15.797 -0.738 -6.291 1.00 0.00 N ATOM 1107 CA ALA A 76 14.844 -1.670 -6.881 1.00 0.00 C ATOM 1108 C ALA A 76 13.499 -0.995 -7.127 1.00 0.00 C ATOM 1109 O ALA A 76 13.034 -0.196 -6.314 1.00 0.00 O ATOM 1110 CB ALA A 76 14.670 -2.886 -5.984 1.00 0.00 C ATOM 0 H ALA A 76 15.476 -0.295 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 76 15.240 -1.996 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.956 -3.573 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.630 -3.388 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.300 -2.569 -5.009 1.00 0.00 H new ATOM 1116 N LYS A 77 12.876 -1.322 -8.255 1.00 0.00 N ATOM 1117 CA LYS A 77 11.583 -0.749 -8.610 1.00 0.00 C ATOM 1118 C LYS A 77 10.447 -1.692 -8.229 1.00 0.00 C ATOM 1119 O LYS A 77 10.471 -2.876 -8.567 1.00 0.00 O ATOM 1120 CB LYS A 77 11.530 -0.448 -10.109 1.00 0.00 C ATOM 1121 CG LYS A 77 12.096 0.912 -10.478 1.00 0.00 C ATOM 1122 CD LYS A 77 11.609 1.367 -11.844 1.00 0.00 C ATOM 1123 CE LYS A 77 11.941 2.830 -12.095 1.00 0.00 C ATOM 1124 NZ LYS A 77 13.411 3.065 -12.141 1.00 0.00 N ATOM 0 H LYS A 77 13.246 -1.982 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 77 11.461 0.181 -8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.082 -1.219 -10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.495 -0.505 -10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.806 1.644 -9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.185 0.867 -10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.066 0.751 -12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.531 1.220 -11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.493 3.148 -13.036 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.500 3.443 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.596 4.074 -12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.836 2.786 -11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.829 2.500 -12.908 1.00 0.00 H new ATOM 1138 N ILE A 78 9.453 -1.160 -7.525 1.00 0.00 N ATOM 1139 CA ILE A 78 8.307 -1.955 -7.101 1.00 0.00 C ATOM 1140 C ILE A 78 7.018 -1.143 -7.174 1.00 0.00 C ATOM 1141 O ILE A 78 7.049 0.086 -7.252 1.00 0.00 O ATOM 1142 CB ILE A 78 8.488 -2.482 -5.666 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.601 -1.316 -4.681 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.717 -3.375 -5.580 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.266 -0.842 -4.151 1.00 0.00 C ATOM 0 H ILE A 78 9.418 -0.182 -7.236 1.00 0.00 H new ATOM 0 HA ILE A 78 8.240 -2.802 -7.784 1.00 0.00 H new ATOM 0 HB ILE A 78 7.613 -3.075 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.229 -1.618 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.104 -0.483 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.831 -3.740 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.600 -4.221 -6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.602 -2.805 -5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.422 -0.014 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.643 -0.508 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.769 -1.661 -3.631 1.00 0.00 H new ATOM 1157 N PHE A 79 5.886 -1.837 -7.147 1.00 0.00 N ATOM 1158 CA PHE A 79 4.585 -1.181 -7.208 1.00 0.00 C ATOM 1159 C PHE A 79 3.823 -1.358 -5.898 1.00 0.00 C ATOM 1160 O PHE A 79 3.989 -2.360 -5.201 1.00 0.00 O ATOM 1161 CB PHE A 79 3.762 -1.743 -8.370 1.00 0.00 C ATOM 1162 CG PHE A 79 4.425 -1.583 -9.707 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.351 -0.381 -10.393 1.00 0.00 C ATOM 1164 CD2 PHE A 79 5.123 -2.634 -10.279 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.961 -0.231 -11.625 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.736 -2.489 -11.510 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.653 -1.286 -12.184 1.00 0.00 C ATOM 0 H PHE A 79 5.843 -2.854 -7.083 1.00 0.00 H new ATOM 0 HA PHE A 79 4.750 -0.116 -7.369 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.573 -2.802 -8.192 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.793 -1.245 -8.392 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.811 0.448 -9.960 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.189 -3.577 -9.758 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.896 0.711 -12.149 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.279 -3.315 -11.944 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.129 -1.171 -13.147 1.00 0.00 H new ATOM 1177 N VAL A 80 2.988 -0.378 -5.569 1.00 0.00 N ATOM 1178 CA VAL A 80 2.200 -0.425 -4.343 1.00 0.00 C ATOM 1179 C VAL A 80 0.711 -0.297 -4.642 1.00 0.00 C ATOM 1180 O VAL A 80 0.284 0.623 -5.339 1.00 0.00 O ATOM 1181 CB VAL A 80 2.614 0.692 -3.367 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.655 0.754 -2.188 1.00 0.00 C ATOM 1183 CG2 VAL A 80 4.044 0.481 -2.892 1.00 0.00 C ATOM 0 H VAL A 80 2.840 0.458 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 80 2.393 -1.392 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 80 2.567 1.646 -3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.964 1.549 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.647 0.956 -2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.666 -0.199 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.320 1.279 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.120 -0.480 -2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.717 0.492 -3.749 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.076 -1.227 -4.109 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.519 -1.219 -4.319 1.00 0.00 C ATOM 1195 C ARG A 81 -2.261 -1.396 -2.998 1.00 0.00 C ATOM 1196 O ARG A 81 -1.928 -2.270 -2.199 1.00 0.00 O ATOM 1197 CB ARG A 81 -1.919 -2.327 -5.294 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.029 -2.408 -6.524 1.00 0.00 C ATOM 1199 CD ARG A 81 -1.554 -1.532 -7.651 1.00 0.00 C ATOM 1200 NE ARG A 81 -0.636 -1.491 -8.785 1.00 0.00 N ATOM 1201 CZ ARG A 81 0.392 -0.654 -8.869 1.00 0.00 C ATOM 1202 NH1 ARG A 81 0.632 0.207 -7.889 1.00 0.00 N ATOM 1203 NH2 ARG A 81 1.184 -0.677 -9.934 1.00 0.00 N ATOM 0 H ARG A 81 0.262 -1.995 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.795 -0.254 -4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.893 -3.284 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.949 -2.165 -5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.017 -2.099 -6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.969 -3.442 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.522 -1.908 -7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.716 -0.520 -7.279 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.792 -2.141 -9.555 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.027 0.227 -7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.422 0.849 -7.956 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.004 -1.338 -10.690 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.973 -0.034 -9.997 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.270 -0.559 -2.775 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.060 -0.623 -1.552 1.00 0.00 C ATOM 1219 C VAL A 82 -5.553 -0.640 -1.863 1.00 0.00 C ATOM 1220 O VAL A 82 -6.007 -0.010 -2.818 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.754 0.567 -0.623 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.305 0.528 -0.165 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.066 1.882 -1.322 1.00 0.00 C ATOM 0 H VAL A 82 -3.559 0.171 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.786 -1.549 -1.046 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.390 0.491 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.108 1.376 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.119 -0.400 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.648 0.579 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.844 2.712 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.457 1.969 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.121 1.908 -1.594 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.312 -1.365 -1.049 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.755 -1.465 -1.234 1.00 0.00 C ATOM 1235 C LYS A 83 -8.448 -1.830 0.075 1.00 0.00 C ATOM 1236 O LYS A 83 -7.830 -2.391 0.980 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.082 -2.508 -2.305 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.714 -3.926 -1.905 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.598 -4.835 -3.117 1.00 0.00 C ATOM 1240 CE LYS A 83 -6.931 -6.155 -2.762 1.00 0.00 C ATOM 1241 NZ LYS A 83 -5.496 -5.973 -2.408 1.00 0.00 N ATOM 0 H LYS A 83 -5.952 -1.893 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.122 -0.492 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.148 -2.467 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.555 -2.250 -3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.768 -3.918 -1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.468 -4.320 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.590 -5.026 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.023 -4.333 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.456 -6.614 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.013 -6.842 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.016 -6.895 -2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.046 -5.338 -3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.423 -5.558 -1.457 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.734 -1.510 0.168 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.511 -1.808 1.365 1.00 0.00 C ATOM 1257 C ALA A 84 -10.975 -3.261 1.371 1.00 0.00 C ATOM 1258 O ALA A 84 -11.112 -3.883 0.318 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.705 -0.871 1.466 1.00 0.00 C ATOM 0 H ALA A 84 -10.260 -1.044 -0.571 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.869 -1.655 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.276 -1.105 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.355 0.160 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.341 -0.996 0.589 1.00 0.00 H new ATOM 1265 N VAL A 85 -11.215 -3.796 2.564 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.664 -5.176 2.706 1.00 0.00 C ATOM 1267 C VAL A 85 -12.560 -5.338 3.928 1.00 0.00 C ATOM 1268 O VAL A 85 -12.214 -4.907 5.027 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.472 -6.144 2.825 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -10.960 -7.564 3.068 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.604 -6.076 1.577 1.00 0.00 C ATOM 0 H VAL A 85 -11.106 -3.295 3.446 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.232 -5.419 1.808 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.865 -5.843 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.104 -8.234 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.536 -7.597 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.590 -7.880 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.767 -6.766 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.198 -6.351 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.225 -5.062 1.452 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.715 -5.965 3.729 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.663 -6.185 4.815 1.00 0.00 C ATOM 1283 C ASN A 86 -15.400 -7.509 4.634 1.00 0.00 C ATOM 1284 O ASN A 86 -15.301 -8.148 3.588 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.668 -5.034 4.884 1.00 0.00 C ATOM 1286 CG ASN A 86 -16.011 -4.483 3.513 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -17.027 -4.847 2.922 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -15.161 -3.600 3.002 1.00 0.00 N ATOM 0 H ASN A 86 -14.017 -6.330 2.826 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.103 -6.226 5.750 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.579 -5.380 5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.259 -4.235 5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.338 -3.194 2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.331 -3.328 3.528 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.140 -7.913 5.662 1.00 0.00 N ATOM 1296 CA ALA A 87 -16.896 -9.158 5.616 1.00 0.00 C ATOM 1297 C ALA A 87 -17.581 -9.335 4.264 1.00 0.00 C ATOM 1298 O ALA A 87 -17.498 -10.398 3.651 1.00 0.00 O ATOM 1299 CB ALA A 87 -17.922 -9.194 6.738 1.00 0.00 C ATOM 0 H ALA A 87 -16.232 -7.396 6.536 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.197 -9.984 5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.479 -10.130 6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.413 -9.122 7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -18.610 -8.356 6.629 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.257 -8.286 3.807 1.00 0.00 N ATOM 1306 CA ALA A 88 -18.955 -8.326 2.528 1.00 0.00 C ATOM 1307 C ALA A 88 -18.007 -8.714 1.398 1.00 0.00 C ATOM 1308 O ALA A 88 -18.207 -9.726 0.727 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.602 -6.980 2.238 1.00 0.00 C ATOM 0 H ALA A 88 -18.336 -7.398 4.303 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.734 -9.085 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.120 -7.024 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.317 -6.742 3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.834 -6.208 2.200 1.00 0.00 H new ATOM 1315 N GLY A 89 -16.975 -7.902 1.191 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.013 -8.178 0.141 1.00 0.00 C ATOM 1317 C GLY A 89 -14.872 -7.179 0.122 1.00 0.00 C ATOM 1318 O GLY A 89 -14.511 -6.620 1.158 1.00 0.00 O ATOM 0 H GLY A 89 -16.788 -7.058 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.611 -9.182 0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.519 -8.165 -0.824 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.303 -6.955 -1.057 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.197 -6.017 -1.206 1.00 0.00 C ATOM 1324 C ALA A 90 -13.503 -4.973 -2.275 1.00 0.00 C ATOM 1325 O ALA A 90 -14.407 -5.152 -3.090 1.00 0.00 O ATOM 1326 CB ALA A 90 -11.915 -6.763 -1.546 1.00 0.00 C ATOM 0 H ALA A 90 -14.589 -7.410 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.062 -5.498 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.097 -6.050 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.680 -7.466 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.048 -7.308 -2.481 1.00 0.00 H new ATOM 1332 N SER A 91 -12.743 -3.882 -2.264 1.00 0.00 N ATOM 1333 CA SER A 91 -12.937 -2.807 -3.229 1.00 0.00 C ATOM 1334 C SER A 91 -11.875 -2.862 -4.324 1.00 0.00 C ATOM 1335 O SER A 91 -10.869 -3.559 -4.192 1.00 0.00 O ATOM 1336 CB SER A 91 -12.891 -1.448 -2.527 1.00 0.00 C ATOM 1337 OG SER A 91 -13.548 -0.455 -3.295 1.00 0.00 O ATOM 0 H SER A 91 -11.988 -3.720 -1.598 1.00 0.00 H new ATOM 0 HA SER A 91 -13.916 -2.938 -3.689 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.362 -1.525 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.854 -1.156 -2.360 1.00 0.00 H new ATOM 0 HG SER A 91 -14.449 -0.309 -2.939 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.108 -2.123 -5.403 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.173 -2.088 -6.521 1.00 0.00 C ATOM 1345 C GLU A 92 -9.770 -1.719 -6.046 1.00 0.00 C ATOM 1346 O GLU A 92 -9.588 -0.887 -5.158 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.644 -1.088 -7.579 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.483 0.363 -7.160 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.685 1.329 -8.311 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -12.833 1.452 -8.788 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -10.696 1.962 -8.735 1.00 0.00 O ATOM 0 H GLU A 92 -12.936 -1.540 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.139 -3.084 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.085 -1.256 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.693 -1.278 -7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.199 0.591 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.488 0.508 -6.740 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.755 -2.353 -6.651 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.351 -2.109 -6.307 1.00 0.00 C ATOM 1360 C PRO A 93 -6.879 -0.727 -6.746 1.00 0.00 C ATOM 1361 O PRO A 93 -7.167 -0.286 -7.859 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.602 -3.200 -7.076 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.493 -3.536 -8.222 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.899 -3.358 -7.719 1.00 0.00 C ATOM 0 HA PRO A 93 -7.184 -2.137 -5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.631 -2.845 -7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.419 -4.072 -6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.297 -2.883 -9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.326 -4.559 -8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.567 -3.013 -8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.311 -4.293 -7.338 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.151 -0.048 -5.866 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.637 1.283 -6.163 1.00 0.00 C ATOM 1374 C LYS A 94 -4.290 1.200 -6.874 1.00 0.00 C ATOM 1375 O LYS A 94 -3.343 0.601 -6.363 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.496 2.097 -4.875 1.00 0.00 C ATOM 1377 CG LYS A 94 -4.927 3.488 -5.093 1.00 0.00 C ATOM 1378 CD LYS A 94 -5.972 4.436 -5.657 1.00 0.00 C ATOM 1379 CE LYS A 94 -5.680 5.879 -5.276 1.00 0.00 C ATOM 1380 NZ LYS A 94 -4.577 6.457 -6.093 1.00 0.00 N ATOM 0 H LYS A 94 -5.904 -0.398 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.347 1.780 -6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.474 2.184 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.853 1.555 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.551 3.880 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.079 3.432 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.000 4.344 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.958 4.154 -5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.581 6.478 -5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.414 5.929 -4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.409 7.441 -5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.710 5.901 -5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.841 6.433 -7.099 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.210 1.805 -8.054 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.979 1.798 -8.835 1.00 0.00 C ATOM 1396 C TYR A 95 -2.307 3.167 -8.804 1.00 0.00 C ATOM 1397 O TYR A 95 -2.826 4.139 -9.354 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.270 1.393 -10.281 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.453 -0.096 -10.468 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -4.706 -0.683 -10.347 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -2.371 -0.916 -10.765 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -4.877 -2.043 -10.516 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -2.533 -2.277 -10.937 1.00 0.00 C ATOM 1404 CZ TYR A 95 -3.788 -2.836 -10.811 1.00 0.00 C ATOM 1405 OH TYR A 95 -3.954 -4.192 -10.982 1.00 0.00 O ATOM 0 H TYR A 95 -4.983 2.307 -8.491 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.301 1.070 -8.390 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.170 1.906 -10.619 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.452 1.733 -10.916 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.561 -0.065 -10.117 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -1.387 -0.482 -10.863 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.858 -2.483 -10.418 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -1.682 -2.900 -11.169 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.089 -4.604 -11.186 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.148 3.235 -8.158 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.404 4.485 -8.053 1.00 0.00 C ATOM 1417 C TYR A 96 0.019 4.985 -9.431 1.00 0.00 C ATOM 1418 O TYR A 96 -0.040 4.249 -10.416 1.00 0.00 O ATOM 1419 CB TYR A 96 0.828 4.296 -7.166 1.00 0.00 C ATOM 1420 CG TYR A 96 1.453 5.596 -6.713 1.00 0.00 C ATOM 1421 CD1 TYR A 96 2.362 6.271 -7.519 1.00 0.00 C ATOM 1422 CD2 TYR A 96 1.135 6.150 -5.479 1.00 0.00 C ATOM 1423 CE1 TYR A 96 2.936 7.459 -7.109 1.00 0.00 C ATOM 1424 CE2 TYR A 96 1.703 7.337 -5.061 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.603 7.988 -5.879 1.00 0.00 C ATOM 1426 OH TYR A 96 3.172 9.171 -5.467 1.00 0.00 O ATOM 0 H TYR A 96 -0.704 2.440 -7.699 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.058 5.231 -7.601 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.548 3.712 -6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.572 3.715 -7.711 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.624 5.860 -8.483 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.431 5.643 -4.836 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.641 7.970 -7.747 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.444 7.754 -4.099 1.00 0.00 H new ATOM 0 HH TYR A 96 2.831 9.406 -4.579 1.00 0.00 H new ATOM 1436 N SER A 97 0.446 6.242 -9.492 1.00 0.00 N ATOM 1437 CA SER A 97 0.876 6.843 -10.749 1.00 0.00 C ATOM 1438 C SER A 97 2.203 6.249 -11.209 1.00 0.00 C ATOM 1439 O SER A 97 2.248 5.459 -12.151 1.00 0.00 O ATOM 1440 CB SER A 97 1.009 8.360 -10.594 1.00 0.00 C ATOM 1441 OG SER A 97 -0.209 8.937 -10.158 1.00 0.00 O ATOM 0 H SER A 97 0.503 6.864 -8.686 1.00 0.00 H new ATOM 0 HA SER A 97 0.120 6.627 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.799 8.588 -9.879 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.304 8.801 -11.546 1.00 0.00 H new ATOM 0 HG SER A 97 -0.097 9.906 -10.065 1.00 0.00 H new ATOM 1447 N GLN A 98 3.283 6.635 -10.536 1.00 0.00 N ATOM 1448 CA GLN A 98 4.612 6.142 -10.876 1.00 0.00 C ATOM 1449 C GLN A 98 5.062 5.068 -9.891 1.00 0.00 C ATOM 1450 O GLN A 98 4.649 5.042 -8.731 1.00 0.00 O ATOM 1451 CB GLN A 98 5.619 7.293 -10.889 1.00 0.00 C ATOM 1452 CG GLN A 98 6.111 7.687 -9.506 1.00 0.00 C ATOM 1453 CD GLN A 98 7.133 8.806 -9.547 1.00 0.00 C ATOM 1454 OE1 GLN A 98 6.797 9.959 -9.818 1.00 0.00 O ATOM 1455 NE2 GLN A 98 8.389 8.471 -9.276 1.00 0.00 N ATOM 0 H GLN A 98 3.263 7.288 -9.752 1.00 0.00 H new ATOM 0 HA GLN A 98 4.564 5.700 -11.871 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.474 7.010 -11.503 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.160 8.161 -11.363 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.262 7.998 -8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.550 6.816 -9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.623 7.503 -9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.120 9.182 -9.287 1.00 0.00 H new ATOM 1464 N PRO A 99 5.929 4.159 -10.361 1.00 0.00 N ATOM 1465 CA PRO A 99 6.455 3.066 -9.537 1.00 0.00 C ATOM 1466 C PRO A 99 7.409 3.562 -8.456 1.00 0.00 C ATOM 1467 O PRO A 99 8.242 4.436 -8.703 1.00 0.00 O ATOM 1468 CB PRO A 99 7.199 2.188 -10.546 1.00 0.00 C ATOM 1469 CG PRO A 99 7.571 3.114 -11.652 1.00 0.00 C ATOM 1470 CD PRO A 99 6.464 4.129 -11.732 1.00 0.00 C ATOM 0 HA PRO A 99 5.664 2.544 -8.999 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.082 1.731 -10.098 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.567 1.376 -10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.528 3.596 -11.453 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.675 2.575 -12.594 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.836 5.106 -12.040 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.702 3.836 -12.454 1.00 0.00 H new ATOM 1478 N ILE A 100 7.283 3.000 -7.259 1.00 0.00 N ATOM 1479 CA ILE A 100 8.137 3.385 -6.141 1.00 0.00 C ATOM 1480 C ILE A 100 9.497 2.702 -6.228 1.00 0.00 C ATOM 1481 O ILE A 100 9.584 1.488 -6.420 1.00 0.00 O ATOM 1482 CB ILE A 100 7.485 3.037 -4.790 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.067 3.607 -4.721 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.331 3.567 -3.642 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.050 2.791 -5.489 1.00 0.00 C ATOM 0 H ILE A 100 6.598 2.277 -7.038 1.00 0.00 H new ATOM 0 HA ILE A 100 8.271 4.465 -6.203 1.00 0.00 H new ATOM 0 HB ILE A 100 7.425 1.952 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.759 3.668 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.074 4.625 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.857 3.313 -2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.323 3.118 -3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.419 4.650 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.067 3.253 -5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.334 2.751 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.015 1.780 -5.084 1.00 0.00 H new ATOM 1497 N LEU A 101 10.558 3.488 -6.082 1.00 0.00 N ATOM 1498 CA LEU A 101 11.916 2.959 -6.142 1.00 0.00 C ATOM 1499 C LEU A 101 12.609 3.083 -4.789 1.00 0.00 C ATOM 1500 O LEU A 101 13.025 4.171 -4.390 1.00 0.00 O ATOM 1501 CB LEU A 101 12.725 3.696 -7.211 1.00 0.00 C ATOM 1502 CG LEU A 101 14.194 3.291 -7.339 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.318 1.936 -8.017 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.973 4.348 -8.108 1.00 0.00 C ATOM 0 H LEU A 101 10.504 4.494 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 101 11.856 1.903 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.241 3.541 -8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.680 4.764 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 101 14.618 3.212 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.371 1.665 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.795 1.184 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.878 1.986 -9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.016 4.043 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.548 4.459 -9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.913 5.300 -7.580 1.00 0.00 H new ATOM 1516 N VAL A 102 12.731 1.961 -4.087 1.00 0.00 N ATOM 1517 CA VAL A 102 13.376 1.943 -2.780 1.00 0.00 C ATOM 1518 C VAL A 102 14.732 2.638 -2.826 1.00 0.00 C ATOM 1519 O VAL A 102 15.755 2.011 -3.103 1.00 0.00 O ATOM 1520 CB VAL A 102 13.567 0.503 -2.267 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.250 -0.353 -3.323 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.362 0.500 -0.971 1.00 0.00 C ATOM 0 H VAL A 102 12.391 1.052 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 102 12.719 2.480 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 102 12.585 0.075 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.377 -1.367 -2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.637 -0.377 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.226 0.071 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.487 -0.525 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.341 0.947 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.828 1.077 -0.215 1.00 0.00 H new ATOM 1532 N LYS A 103 14.734 3.939 -2.554 1.00 0.00 N ATOM 1533 CA LYS A 103 15.964 4.721 -2.563 1.00 0.00 C ATOM 1534 C LYS A 103 16.004 5.686 -1.382 1.00 0.00 C ATOM 1535 O LYS A 103 14.979 6.239 -0.987 1.00 0.00 O ATOM 1536 CB LYS A 103 16.089 5.498 -3.875 1.00 0.00 C ATOM 1537 CG LYS A 103 17.502 5.971 -4.170 1.00 0.00 C ATOM 1538 CD LYS A 103 18.370 4.841 -4.698 1.00 0.00 C ATOM 1539 CE LYS A 103 18.269 4.721 -6.211 1.00 0.00 C ATOM 1540 NZ LYS A 103 19.270 5.579 -6.903 1.00 0.00 N ATOM 0 H LYS A 103 13.896 4.474 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 103 16.804 4.032 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 103 15.748 4.867 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.425 6.362 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.471 6.779 -4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.947 6.379 -3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 103 19.408 5.015 -4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.067 3.901 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 103 18.417 3.682 -6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 103 17.266 5.002 -6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 19.169 5.469 -7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 19.113 6.574 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.228 5.294 -6.617 1.00 0.00 H new ATOM 1554 N GLU A 104 17.195 5.883 -0.825 1.00 0.00 N ATOM 1555 CA GLU A 104 17.367 6.782 0.310 1.00 0.00 C ATOM 1556 C GLU A 104 17.206 8.238 -0.119 1.00 0.00 C ATOM 1557 O GLU A 104 17.550 8.606 -1.242 1.00 0.00 O ATOM 1558 CB GLU A 104 18.742 6.577 0.949 1.00 0.00 C ATOM 1559 CG GLU A 104 19.113 7.653 1.955 1.00 0.00 C ATOM 1560 CD GLU A 104 20.157 7.186 2.950 1.00 0.00 C ATOM 1561 OE1 GLU A 104 21.362 7.349 2.665 1.00 0.00 O ATOM 1562 OE2 GLU A 104 19.771 6.658 4.013 1.00 0.00 O ATOM 0 H GLU A 104 18.054 5.433 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 104 16.595 6.550 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.762 5.606 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.498 6.550 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.488 8.528 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.218 7.966 2.493 1.00 0.00 H new