USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 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 5 GLN : amide:sc= 0.57 X(o=1.3,f=1.1) USER MOD Set 1.2: A 15 GLN : amide:sc= 0.727 X(o=1.3,f=1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -42:sc= 1.23 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot -28:sc= 0.628 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -121:sc= 0.0987 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.403 X(o=0.4,f=-0.059) USER MOD Single : B 4 GLN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=-0.025) USER MOD Single : B 16 TYR OH : rot 22:sc= 0.558 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -108:sc= 0.073 USER MOD Single : B 29 LYS NZ :NH3+ -127:sc= 0.145 (180deg=-0.0283) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.639 -4.978 5.812 1.00 0.00 N ATOM 2 CA GLY A 1 10.489 -4.664 4.374 1.00 0.00 C ATOM 3 C GLY A 1 10.376 -5.927 3.538 1.00 0.00 C ATOM 4 O GLY A 1 11.308 -6.729 3.519 1.00 0.00 O ATOM 0 H1 GLY A 1 10.713 -4.094 6.354 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.811 -5.516 6.138 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.499 -5.546 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.602 -4.047 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.344 -4.079 4.037 1.00 0.00 H new ATOM 10 N ILE A 2 9.244 -6.112 2.855 1.00 0.00 N ATOM 11 CA ILE A 2 8.892 -7.297 2.043 1.00 0.00 C ATOM 12 C ILE A 2 9.763 -7.504 0.786 1.00 0.00 C ATOM 13 O ILE A 2 9.806 -8.602 0.233 1.00 0.00 O ATOM 14 CB ILE A 2 7.382 -7.220 1.692 1.00 0.00 C ATOM 15 CG1 ILE A 2 6.793 -8.482 1.028 1.00 0.00 C ATOM 16 CG2 ILE A 2 7.048 -6.015 0.787 1.00 0.00 C ATOM 17 CD1 ILE A 2 7.065 -9.785 1.792 1.00 0.00 C ATOM 0 H ILE A 2 8.506 -5.408 2.848 1.00 0.00 H new ATOM 0 HA ILE A 2 9.102 -8.179 2.648 1.00 0.00 H new ATOM 0 HB ILE A 2 6.917 -7.112 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.716 -8.354 0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.202 -8.573 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.980 -6.007 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.322 -5.091 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.606 -6.095 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.616 -10.621 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.141 -9.941 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.631 -9.719 2.790 1.00 0.00 H new ATOM 29 N VAL A 3 10.466 -6.463 0.321 1.00 0.00 N ATOM 30 CA VAL A 3 11.287 -6.507 -0.908 1.00 0.00 C ATOM 31 C VAL A 3 12.670 -5.881 -0.747 1.00 0.00 C ATOM 32 O VAL A 3 13.635 -6.302 -1.386 1.00 0.00 O ATOM 33 CB VAL A 3 10.503 -5.880 -2.088 1.00 0.00 C ATOM 34 CG1 VAL A 3 10.016 -4.447 -1.822 1.00 0.00 C ATOM 35 CG2 VAL A 3 11.287 -5.848 -3.409 1.00 0.00 C ATOM 0 H VAL A 3 10.485 -5.556 0.787 1.00 0.00 H new ATOM 0 HA VAL A 3 11.480 -7.557 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 3 9.648 -6.550 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.476 -4.078 -2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.353 -4.443 -0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.873 -3.802 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.672 -5.395 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 3 12.196 -5.261 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 3 11.550 -6.865 -3.701 1.00 0.00 H new ATOM 45 N GLU A 4 12.805 -4.909 0.150 1.00 0.00 N ATOM 46 CA GLU A 4 13.979 -4.045 0.207 1.00 0.00 C ATOM 47 C GLU A 4 15.249 -4.719 0.723 1.00 0.00 C ATOM 48 O GLU A 4 16.334 -4.344 0.284 1.00 0.00 O ATOM 49 CB GLU A 4 13.682 -2.775 1.034 1.00 0.00 C ATOM 50 CG GLU A 4 12.372 -2.055 0.673 1.00 0.00 C ATOM 51 CD GLU A 4 11.199 -2.493 1.574 1.00 0.00 C ATOM 52 OE1 GLU A 4 10.723 -3.647 1.440 1.00 0.00 O ATOM 53 OE2 GLU A 4 10.781 -1.706 2.456 1.00 0.00 O ATOM 0 H GLU A 4 12.102 -4.698 0.859 1.00 0.00 H new ATOM 0 HA GLU A 4 14.185 -3.782 -0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.651 -3.046 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.509 -2.076 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.515 -0.978 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.123 -2.258 -0.369 1.00 0.00 H new ATOM 60 N GLN A 5 15.158 -5.725 1.598 1.00 0.00 N ATOM 61 CA GLN A 5 16.349 -6.401 2.133 1.00 0.00 C ATOM 62 C GLN A 5 17.175 -7.070 1.021 1.00 0.00 C ATOM 63 O GLN A 5 18.406 -7.031 1.064 1.00 0.00 O ATOM 64 CB GLN A 5 15.948 -7.441 3.191 1.00 0.00 C ATOM 65 CG GLN A 5 15.357 -6.822 4.469 1.00 0.00 C ATOM 66 CD GLN A 5 16.388 -6.000 5.244 1.00 0.00 C ATOM 67 OE1 GLN A 5 17.297 -6.531 5.872 1.00 0.00 O ATOM 68 NE2 GLN A 5 16.308 -4.688 5.221 1.00 0.00 N ATOM 0 H GLN A 5 14.274 -6.091 1.952 1.00 0.00 H new ATOM 0 HA GLN A 5 16.974 -5.639 2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 5 15.219 -8.125 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.823 -8.034 3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.512 -6.186 4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 5 14.971 -7.615 5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.557 -4.232 4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.997 -4.126 5.721 1.00 0.00 H new ATOM 77 N CYS A 6 16.504 -7.634 0.011 1.00 0.00 N ATOM 78 CA CYS A 6 17.129 -8.287 -1.142 1.00 0.00 C ATOM 79 C CYS A 6 17.260 -7.359 -2.366 1.00 0.00 C ATOM 80 O CYS A 6 18.086 -7.614 -3.244 1.00 0.00 O ATOM 81 CB CYS A 6 16.311 -9.529 -1.491 1.00 0.00 C ATOM 82 SG CYS A 6 16.107 -10.751 -0.165 1.00 0.00 S ATOM 0 H CYS A 6 15.485 -7.649 -0.027 1.00 0.00 H new ATOM 0 HA CYS A 6 18.148 -8.560 -0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.322 -9.208 -1.816 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.782 -10.022 -2.342 1.00 0.00 H new ATOM 87 N CYS A 7 16.474 -6.281 -2.443 1.00 0.00 N ATOM 88 CA CYS A 7 16.544 -5.310 -3.540 1.00 0.00 C ATOM 89 C CYS A 7 17.611 -4.214 -3.295 1.00 0.00 C ATOM 90 O CYS A 7 18.209 -3.720 -4.254 1.00 0.00 O ATOM 91 CB CYS A 7 15.125 -4.778 -3.784 1.00 0.00 C ATOM 92 SG CYS A 7 14.916 -3.711 -5.235 1.00 0.00 S ATOM 0 H CYS A 7 15.767 -6.056 -1.743 1.00 0.00 H new ATOM 0 HA CYS A 7 16.891 -5.790 -4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.451 -5.629 -3.883 1.00 0.00 H new ATOM 0 HB3 CYS A 7 14.809 -4.223 -2.901 1.00 0.00 H new ATOM 97 N THR A 8 17.911 -3.884 -2.030 1.00 0.00 N ATOM 98 CA THR A 8 18.957 -2.911 -1.624 1.00 0.00 C ATOM 99 C THR A 8 20.233 -3.538 -1.029 1.00 0.00 C ATOM 100 O THR A 8 21.239 -2.840 -0.877 1.00 0.00 O ATOM 101 CB THR A 8 18.407 -1.848 -0.657 1.00 0.00 C ATOM 102 OG1 THR A 8 18.154 -2.379 0.623 1.00 0.00 O ATOM 103 CG2 THR A 8 17.119 -1.185 -1.152 1.00 0.00 C ATOM 0 H THR A 8 17.424 -4.294 -1.233 1.00 0.00 H new ATOM 0 HA THR A 8 19.253 -2.441 -2.562 1.00 0.00 H new ATOM 0 HB THR A 8 19.194 -1.095 -0.606 1.00 0.00 H new ATOM 0 HG1 THR A 8 17.734 -3.260 0.535 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.786 -0.446 -0.423 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.306 -0.693 -2.107 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.346 -1.943 -1.280 1.00 0.00 H new ATOM 111 N SER A 9 20.221 -4.840 -0.712 1.00 0.00 N ATOM 112 CA SER A 9 21.389 -5.630 -0.263 1.00 0.00 C ATOM 113 C SER A 9 21.307 -7.086 -0.759 1.00 0.00 C ATOM 114 O SER A 9 20.358 -7.467 -1.439 1.00 0.00 O ATOM 115 CB SER A 9 21.505 -5.574 1.267 1.00 0.00 C ATOM 116 OG SER A 9 22.791 -6.005 1.685 1.00 0.00 O ATOM 0 H SER A 9 19.369 -5.398 -0.761 1.00 0.00 H new ATOM 0 HA SER A 9 22.287 -5.191 -0.697 1.00 0.00 H new ATOM 0 HB2 SER A 9 21.326 -4.556 1.614 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.739 -6.204 1.719 1.00 0.00 H new ATOM 0 HG SER A 9 22.849 -5.962 2.662 1.00 0.00 H new ATOM 122 N ILE A 10 22.301 -7.919 -0.438 1.00 0.00 N ATOM 123 CA ILE A 10 22.396 -9.311 -0.929 1.00 0.00 C ATOM 124 C ILE A 10 21.408 -10.284 -0.266 1.00 0.00 C ATOM 125 O ILE A 10 21.082 -11.316 -0.855 1.00 0.00 O ATOM 126 CB ILE A 10 23.836 -9.850 -0.807 1.00 0.00 C ATOM 127 CG1 ILE A 10 24.346 -9.919 0.653 1.00 0.00 C ATOM 128 CG2 ILE A 10 24.766 -9.009 -1.692 1.00 0.00 C ATOM 129 CD1 ILE A 10 25.719 -10.587 0.804 1.00 0.00 C ATOM 0 H ILE A 10 23.072 -7.651 0.174 1.00 0.00 H new ATOM 0 HA ILE A 10 22.113 -9.259 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 10 23.834 -10.883 -1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 10 24.399 -8.908 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 10 23.620 -10.465 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 10 25.786 -9.386 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 10 24.438 -9.074 -2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.736 -7.969 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 10 26.005 -10.596 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 10 25.668 -11.611 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 10 26.460 -10.029 0.231 1.00 0.00 H new ATOM 141 N CYS A 11 20.964 -9.953 0.951 1.00 0.00 N ATOM 142 CA CYS A 11 20.100 -10.728 1.853 1.00 0.00 C ATOM 143 C CYS A 11 20.511 -12.205 2.051 1.00 0.00 C ATOM 144 O CYS A 11 21.639 -12.605 1.743 1.00 0.00 O ATOM 145 CB CYS A 11 18.624 -10.520 1.466 1.00 0.00 C ATOM 146 SG CYS A 11 17.969 -11.514 0.100 1.00 0.00 S ATOM 0 H CYS A 11 21.221 -9.058 1.368 1.00 0.00 H new ATOM 0 HA CYS A 11 20.243 -10.329 2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 11 18.014 -10.717 2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 11 18.488 -9.469 1.212 1.00 0.00 H new ATOM 151 N SER A 12 19.619 -13.009 2.643 1.00 0.00 N ATOM 152 CA SER A 12 19.817 -14.448 2.844 1.00 0.00 C ATOM 153 C SER A 12 18.491 -15.224 2.862 1.00 0.00 C ATOM 154 O SER A 12 17.429 -14.634 3.068 1.00 0.00 O ATOM 155 CB SER A 12 20.610 -14.686 4.131 1.00 0.00 C ATOM 156 OG SER A 12 21.068 -16.028 4.176 1.00 0.00 O ATOM 0 H SER A 12 18.726 -12.672 3.001 1.00 0.00 H new ATOM 0 HA SER A 12 20.386 -14.828 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.457 -14.002 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.983 -14.477 4.998 1.00 0.00 H new ATOM 0 HG SER A 12 21.576 -16.173 5.001 1.00 0.00 H new ATOM 162 N LEU A 13 18.539 -16.555 2.715 1.00 0.00 N ATOM 163 CA LEU A 13 17.351 -17.424 2.758 1.00 0.00 C ATOM 164 C LEU A 13 16.551 -17.276 4.062 1.00 0.00 C ATOM 165 O LEU A 13 15.329 -17.371 4.043 1.00 0.00 O ATOM 166 CB LEU A 13 17.723 -18.895 2.474 1.00 0.00 C ATOM 167 CG LEU A 13 18.353 -19.725 3.614 1.00 0.00 C ATOM 168 CD1 LEU A 13 18.451 -21.184 3.166 1.00 0.00 C ATOM 169 CD2 LEU A 13 19.761 -19.258 3.986 1.00 0.00 C ATOM 0 H LEU A 13 19.409 -17.065 2.562 1.00 0.00 H new ATOM 0 HA LEU A 13 16.689 -17.089 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 13 16.819 -19.410 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 13 18.416 -18.906 1.633 1.00 0.00 H new ATOM 0 HG LEU A 13 17.713 -19.602 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 13 18.895 -21.780 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 13 17.454 -21.563 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.074 -21.250 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 13 20.149 -19.880 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 13 20.413 -19.341 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 13 19.725 -18.219 4.314 1.00 0.00 H new ATOM 181 N TYR A 14 17.212 -16.948 5.172 1.00 0.00 N ATOM 182 CA TYR A 14 16.556 -16.692 6.459 1.00 0.00 C ATOM 183 C TYR A 14 15.642 -15.450 6.430 1.00 0.00 C ATOM 184 O TYR A 14 14.672 -15.372 7.188 1.00 0.00 O ATOM 185 CB TYR A 14 17.637 -16.552 7.539 1.00 0.00 C ATOM 186 CG TYR A 14 18.709 -17.636 7.551 1.00 0.00 C ATOM 187 CD1 TYR A 14 18.356 -19.000 7.448 1.00 0.00 C ATOM 188 CD2 TYR A 14 20.068 -17.279 7.656 1.00 0.00 C ATOM 189 CE1 TYR A 14 19.352 -19.993 7.464 1.00 0.00 C ATOM 190 CE2 TYR A 14 21.067 -18.272 7.666 1.00 0.00 C ATOM 191 CZ TYR A 14 20.713 -19.635 7.570 1.00 0.00 C ATOM 192 OH TYR A 14 21.670 -20.601 7.576 1.00 0.00 O ATOM 0 H TYR A 14 18.227 -16.851 5.206 1.00 0.00 H new ATOM 0 HA TYR A 14 15.903 -17.535 6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 14 18.126 -15.586 7.414 1.00 0.00 H new ATOM 0 HB3 TYR A 14 17.150 -16.539 8.514 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.317 -19.281 7.357 1.00 0.00 H new ATOM 0 HD2 TYR A 14 20.345 -16.238 7.729 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.074 -21.034 7.395 1.00 0.00 H new ATOM 0 HE2 TYR A 14 22.106 -17.990 7.747 1.00 0.00 H new ATOM 0 HH TYR A 14 22.554 -20.185 7.654 1.00 0.00 H new ATOM 202 N GLN A 15 15.911 -14.494 5.532 1.00 0.00 N ATOM 203 CA GLN A 15 15.069 -13.317 5.299 1.00 0.00 C ATOM 204 C GLN A 15 13.915 -13.617 4.330 1.00 0.00 C ATOM 205 O GLN A 15 12.821 -13.082 4.505 1.00 0.00 O ATOM 206 CB GLN A 15 15.937 -12.141 4.817 1.00 0.00 C ATOM 207 CG GLN A 15 17.014 -11.779 5.850 1.00 0.00 C ATOM 208 CD GLN A 15 17.605 -10.396 5.604 1.00 0.00 C ATOM 209 OE1 GLN A 15 18.502 -10.213 4.796 1.00 0.00 O ATOM 210 NE2 GLN A 15 17.110 -9.376 6.275 1.00 0.00 N ATOM 0 H GLN A 15 16.738 -14.519 4.935 1.00 0.00 H new ATOM 0 HA GLN A 15 14.603 -13.035 6.243 1.00 0.00 H new ATOM 0 HB2 GLN A 15 16.411 -12.401 3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 15 15.305 -11.273 4.629 1.00 0.00 H new ATOM 0 HG2 GLN A 15 16.583 -11.815 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 15 17.810 -12.523 5.819 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.361 -9.525 6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.476 -8.437 6.119 1.00 0.00 H new ATOM 219 N LEU A 16 14.111 -14.531 3.375 1.00 0.00 N ATOM 220 CA LEU A 16 13.024 -15.065 2.544 1.00 0.00 C ATOM 221 C LEU A 16 12.050 -15.917 3.387 1.00 0.00 C ATOM 222 O LEU A 16 10.833 -15.790 3.252 1.00 0.00 O ATOM 223 CB LEU A 16 13.599 -15.872 1.361 1.00 0.00 C ATOM 224 CG LEU A 16 14.132 -15.100 0.137 1.00 0.00 C ATOM 225 CD1 LEU A 16 13.097 -14.139 -0.432 1.00 0.00 C ATOM 226 CD2 LEU A 16 15.422 -14.330 0.398 1.00 0.00 C ATOM 0 H LEU A 16 15.027 -14.922 3.155 1.00 0.00 H new ATOM 0 HA LEU A 16 12.456 -14.228 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.412 -16.489 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.820 -16.551 1.012 1.00 0.00 H new ATOM 0 HG LEU A 16 14.353 -15.882 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.518 -13.618 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.214 -14.697 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.817 -13.412 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.729 -13.815 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.256 -13.599 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.205 -15.024 0.704 1.00 0.00 H new ATOM 238 N GLU A 17 12.555 -16.719 4.329 1.00 0.00 N ATOM 239 CA GLU A 17 11.733 -17.474 5.290 1.00 0.00 C ATOM 240 C GLU A 17 10.932 -16.568 6.252 1.00 0.00 C ATOM 241 O GLU A 17 9.910 -17.002 6.785 1.00 0.00 O ATOM 242 CB GLU A 17 12.601 -18.456 6.091 1.00 0.00 C ATOM 243 CG GLU A 17 13.051 -19.664 5.256 1.00 0.00 C ATOM 244 CD GLU A 17 13.795 -20.688 6.135 1.00 0.00 C ATOM 245 OE1 GLU A 17 15.018 -20.527 6.362 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.160 -21.658 6.615 1.00 0.00 O ATOM 0 H GLU A 17 13.557 -16.867 4.450 1.00 0.00 H new ATOM 0 HA GLU A 17 11.004 -18.028 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.479 -17.933 6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.041 -18.807 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.184 -20.136 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.701 -19.331 4.447 1.00 0.00 H new ATOM 253 N ASN A 18 11.335 -15.306 6.443 1.00 0.00 N ATOM 254 CA ASN A 18 10.554 -14.317 7.197 1.00 0.00 C ATOM 255 C ASN A 18 9.321 -13.806 6.415 1.00 0.00 C ATOM 256 O ASN A 18 8.306 -13.466 7.026 1.00 0.00 O ATOM 257 CB ASN A 18 11.492 -13.175 7.618 1.00 0.00 C ATOM 258 CG ASN A 18 10.811 -12.175 8.540 1.00 0.00 C ATOM 259 OD1 ASN A 18 10.462 -12.475 9.671 1.00 0.00 O ATOM 260 ND2 ASN A 18 10.587 -10.960 8.087 1.00 0.00 N ATOM 0 H ASN A 18 12.215 -14.941 6.078 1.00 0.00 H new ATOM 0 HA ASN A 18 10.142 -14.794 8.086 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.365 -13.592 8.120 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.852 -12.658 6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.123 -10.272 8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.877 -10.706 7.143 1.00 0.00 H new ATOM 267 N TYR A 19 9.377 -13.786 5.078 1.00 0.00 N ATOM 268 CA TYR A 19 8.218 -13.509 4.212 1.00 0.00 C ATOM 269 C TYR A 19 7.290 -14.728 4.050 1.00 0.00 C ATOM 270 O TYR A 19 6.098 -14.571 3.786 1.00 0.00 O ATOM 271 CB TYR A 19 8.696 -13.053 2.825 1.00 0.00 C ATOM 272 CG TYR A 19 9.788 -11.997 2.770 1.00 0.00 C ATOM 273 CD1 TYR A 19 9.810 -10.919 3.679 1.00 0.00 C ATOM 274 CD2 TYR A 19 10.771 -12.087 1.764 1.00 0.00 C ATOM 275 CE1 TYR A 19 10.829 -9.954 3.599 1.00 0.00 C ATOM 276 CE2 TYR A 19 11.789 -11.115 1.678 1.00 0.00 C ATOM 277 CZ TYR A 19 11.811 -10.036 2.584 1.00 0.00 C ATOM 278 OH TYR A 19 12.745 -9.058 2.470 1.00 0.00 O ATOM 0 H TYR A 19 10.237 -13.963 4.558 1.00 0.00 H new ATOM 0 HA TYR A 19 7.645 -12.720 4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.051 -13.932 2.286 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.832 -12.672 2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.044 -10.835 4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.745 -12.903 1.057 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.862 -9.147 4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.552 -11.198 0.918 1.00 0.00 H new ATOM 0 HH TYR A 19 12.379 -8.215 2.810 1.00 0.00 H new ATOM 288 N CYS A 20 7.828 -15.940 4.199 1.00 0.00 N ATOM 289 CA CYS A 20 7.088 -17.207 4.175 1.00 0.00 C ATOM 290 C CYS A 20 6.217 -17.402 5.437 1.00 0.00 C ATOM 291 O CYS A 20 6.493 -16.849 6.506 1.00 0.00 O ATOM 292 CB CYS A 20 8.114 -18.338 4.011 1.00 0.00 C ATOM 293 SG CYS A 20 7.460 -19.992 3.676 1.00 0.00 S ATOM 0 H CYS A 20 8.829 -16.073 4.345 1.00 0.00 H new ATOM 0 HA CYS A 20 6.388 -17.208 3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.789 -18.069 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.713 -18.387 4.920 1.00 0.00 H new ATOM 298 N ASN A 21 5.164 -18.215 5.326 1.00 0.00 N ATOM 299 CA ASN A 21 4.280 -18.579 6.432 1.00 0.00 C ATOM 300 C ASN A 21 5.001 -19.420 7.516 1.00 0.00 C ATOM 301 O ASN A 21 5.761 -20.343 7.197 1.00 0.00 O ATOM 302 CB ASN A 21 3.060 -19.311 5.844 1.00 0.00 C ATOM 303 CG ASN A 21 2.054 -19.724 6.907 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.960 -20.879 7.294 1.00 0.00 O ATOM 305 ND2 ASN A 21 1.290 -18.792 7.431 1.00 0.00 N ATOM 0 H ASN A 21 4.897 -18.648 4.442 1.00 0.00 H new ATOM 0 HA ASN A 21 3.954 -17.676 6.948 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.569 -18.664 5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.398 -20.197 5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.619 -19.033 8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.368 -17.828 7.108 1.00 0.00 H new ATOM 312 N GLY A 22 4.752 -19.097 8.795 1.00 0.00 N ATOM 313 CA GLY A 22 5.292 -19.797 9.978 1.00 0.00 C ATOM 314 C GLY A 22 4.409 -20.955 10.450 1.00 0.00 C ATOM 315 O GLY A 22 3.332 -20.677 11.023 1.00 0.00 O ATOM 316 OXT GLY A 22 4.813 -22.125 10.278 1.00 0.00 O ATOM 0 H GLY A 22 4.148 -18.314 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.286 -20.179 9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.409 -19.082 10.793 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 1 23.130 -19.040 0.235 1.00 0.00 N ATOM 322 CA PHE B 1 22.227 -18.192 -0.589 1.00 0.00 C ATOM 323 C PHE B 1 22.974 -17.640 -1.815 1.00 0.00 C ATOM 324 O PHE B 1 24.187 -17.820 -1.934 1.00 0.00 O ATOM 325 CB PHE B 1 21.583 -17.072 0.259 1.00 0.00 C ATOM 326 CG PHE B 1 20.408 -16.371 -0.405 1.00 0.00 C ATOM 327 CD1 PHE B 1 19.238 -17.092 -0.719 1.00 0.00 C ATOM 328 CD2 PHE B 1 20.496 -15.003 -0.742 1.00 0.00 C ATOM 329 CE1 PHE B 1 18.162 -16.446 -1.356 1.00 0.00 C ATOM 330 CE2 PHE B 1 19.428 -14.370 -1.398 1.00 0.00 C ATOM 331 CZ PHE B 1 18.259 -15.088 -1.699 1.00 0.00 C ATOM 0 H1 PHE B 1 22.735 -19.999 0.308 1.00 0.00 H new ATOM 0 H2 PHE B 1 24.068 -19.085 -0.212 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.220 -18.629 1.186 1.00 0.00 H new ATOM 0 HA PHE B 1 21.410 -18.813 -0.958 1.00 0.00 H new ATOM 0 HB2 PHE B 1 21.248 -17.498 1.205 1.00 0.00 H new ATOM 0 HB3 PHE B 1 22.345 -16.330 0.496 1.00 0.00 H new ATOM 0 HD1 PHE B 1 19.167 -18.141 -0.471 1.00 0.00 H new ATOM 0 HD2 PHE B 1 21.386 -14.443 -0.495 1.00 0.00 H new ATOM 0 HE1 PHE B 1 17.260 -16.996 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE B 1 19.506 -13.328 -1.672 1.00 0.00 H new ATOM 0 HZ PHE B 1 17.435 -14.596 -2.194 1.00 0.00 H new ATOM 343 N VAL B 2 22.277 -16.964 -2.741 1.00 0.00 N ATOM 344 CA VAL B 2 22.822 -16.505 -4.041 1.00 0.00 C ATOM 345 C VAL B 2 23.697 -15.241 -3.996 1.00 0.00 C ATOM 346 O VAL B 2 24.268 -14.852 -5.015 1.00 0.00 O ATOM 347 CB VAL B 2 21.701 -16.367 -5.092 1.00 0.00 C ATOM 348 CG1 VAL B 2 21.063 -17.729 -5.395 1.00 0.00 C ATOM 349 CG2 VAL B 2 20.592 -15.390 -4.670 1.00 0.00 C ATOM 0 H VAL B 2 21.297 -16.713 -2.610 1.00 0.00 H new ATOM 0 HA VAL B 2 23.512 -17.295 -4.336 1.00 0.00 H new ATOM 0 HB VAL B 2 22.184 -15.966 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL B 2 20.276 -17.605 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL B 2 21.823 -18.409 -5.781 1.00 0.00 H new ATOM 0 HG13 VAL B 2 20.637 -18.142 -4.481 1.00 0.00 H new ATOM 0 HG21 VAL B 2 19.835 -15.339 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL B 2 20.134 -15.738 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL B 2 21.020 -14.400 -4.514 1.00 0.00 H new ATOM 359 N ASN B 3 23.814 -14.615 -2.823 1.00 0.00 N ATOM 360 CA ASN B 3 24.665 -13.462 -2.491 1.00 0.00 C ATOM 361 C ASN B 3 24.600 -12.289 -3.495 1.00 0.00 C ATOM 362 O ASN B 3 25.612 -11.638 -3.773 1.00 0.00 O ATOM 363 CB ASN B 3 26.086 -13.929 -2.107 1.00 0.00 C ATOM 364 CG ASN B 3 26.872 -14.600 -3.228 1.00 0.00 C ATOM 365 OD1 ASN B 3 27.076 -15.808 -3.246 1.00 0.00 O ATOM 366 ND2 ASN B 3 27.363 -13.844 -4.183 1.00 0.00 N ATOM 0 H ASN B 3 23.275 -14.923 -2.014 1.00 0.00 H new ATOM 0 HA ASN B 3 24.240 -12.998 -1.601 1.00 0.00 H new ATOM 0 HB2 ASN B 3 26.652 -13.067 -1.753 1.00 0.00 H new ATOM 0 HB3 ASN B 3 26.009 -14.625 -1.271 1.00 0.00 H new ATOM 0 HD21 ASN B 3 27.911 -14.263 -4.934 1.00 0.00 H new ATOM 0 HD22 ASN B 3 27.196 -12.838 -4.173 1.00 0.00 H new ATOM 373 N GLN B 4 23.412 -12.024 -4.048 1.00 0.00 N ATOM 374 CA GLN B 4 23.195 -10.996 -5.070 1.00 0.00 C ATOM 375 C GLN B 4 21.798 -10.365 -4.980 1.00 0.00 C ATOM 376 O GLN B 4 20.875 -10.951 -4.413 1.00 0.00 O ATOM 377 CB GLN B 4 23.480 -11.577 -6.467 1.00 0.00 C ATOM 378 CG GLN B 4 22.465 -12.637 -6.915 1.00 0.00 C ATOM 379 CD GLN B 4 22.983 -13.446 -8.102 1.00 0.00 C ATOM 380 OE1 GLN B 4 22.646 -13.209 -9.255 1.00 0.00 O ATOM 381 NE2 GLN B 4 23.840 -14.419 -7.867 1.00 0.00 N ATOM 0 H GLN B 4 22.561 -12.526 -3.794 1.00 0.00 H new ATOM 0 HA GLN B 4 23.897 -10.183 -4.886 1.00 0.00 H new ATOM 0 HB2 GLN B 4 23.488 -10.765 -7.194 1.00 0.00 H new ATOM 0 HB3 GLN B 4 24.477 -12.017 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN B 4 22.248 -13.308 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN B 4 21.527 -12.152 -7.186 1.00 0.00 H new ATOM 0 HE21 GLN B 4 24.128 -14.625 -6.910 1.00 0.00 H new ATOM 0 HE22 GLN B 4 24.216 -14.966 -8.642 1.00 0.00 H new ATOM 390 N HIS B 5 21.641 -9.169 -5.549 1.00 0.00 N ATOM 391 CA HIS B 5 20.392 -8.408 -5.509 1.00 0.00 C ATOM 392 C HIS B 5 19.261 -9.087 -6.300 1.00 0.00 C ATOM 393 O HIS B 5 19.462 -9.586 -7.411 1.00 0.00 O ATOM 394 CB HIS B 5 20.633 -6.983 -6.016 1.00 0.00 C ATOM 395 CG HIS B 5 21.605 -6.199 -5.172 1.00 0.00 C ATOM 396 ND1 HIS B 5 22.915 -5.903 -5.482 1.00 0.00 N ATOM 397 CD2 HIS B 5 21.344 -5.644 -3.950 1.00 0.00 C ATOM 398 CE1 HIS B 5 23.432 -5.189 -4.467 1.00 0.00 C ATOM 399 NE2 HIS B 5 22.509 -5.006 -3.505 1.00 0.00 N ATOM 0 H HIS B 5 22.388 -8.696 -6.057 1.00 0.00 H new ATOM 0 HA HIS B 5 20.064 -8.371 -4.470 1.00 0.00 H new ATOM 0 HB2 HIS B 5 21.007 -7.029 -7.039 1.00 0.00 H new ATOM 0 HB3 HIS B 5 19.682 -6.452 -6.048 1.00 0.00 H new ATOM 0 HD1 HIS B 5 23.406 -6.178 -6.333 1.00 0.00 H new ATOM 0 HD2 HIS B 5 20.404 -5.690 -3.420 1.00 0.00 H new ATOM 0 HE1 HIS B 5 24.445 -4.815 -4.429 1.00 0.00 H new ATOM 407 N LEU B 6 18.054 -9.044 -5.732 1.00 0.00 N ATOM 408 CA LEU B 6 16.794 -9.519 -6.314 1.00 0.00 C ATOM 409 C LEU B 6 15.653 -8.556 -5.958 1.00 0.00 C ATOM 410 O LEU B 6 15.502 -8.164 -4.802 1.00 0.00 O ATOM 411 CB LEU B 6 16.463 -10.919 -5.767 1.00 0.00 C ATOM 412 CG LEU B 6 17.389 -12.066 -6.207 1.00 0.00 C ATOM 413 CD1 LEU B 6 16.995 -13.328 -5.443 1.00 0.00 C ATOM 414 CD2 LEU B 6 17.292 -12.374 -7.703 1.00 0.00 C ATOM 0 H LEU B 6 17.921 -8.654 -4.799 1.00 0.00 H new ATOM 0 HA LEU B 6 16.904 -9.565 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.474 -10.871 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.445 -11.169 -6.065 1.00 0.00 H new ATOM 0 HG LEU B 6 18.412 -11.754 -5.995 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.642 -14.152 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU B 6 17.102 -13.154 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.959 -13.580 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.969 -13.192 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.270 -12.661 -7.950 1.00 0.00 H new ATOM 0 HD23 LEU B 6 17.568 -11.488 -8.275 1.00 0.00 H new ATOM 426 N CYS B 7 14.819 -8.215 -6.939 1.00 0.00 N ATOM 427 CA CYS B 7 13.685 -7.302 -6.779 1.00 0.00 C ATOM 428 C CYS B 7 12.474 -7.780 -7.604 1.00 0.00 C ATOM 429 O CYS B 7 12.651 -8.450 -8.627 1.00 0.00 O ATOM 430 CB CYS B 7 14.142 -5.892 -7.178 1.00 0.00 C ATOM 431 SG CYS B 7 13.353 -4.546 -6.255 1.00 0.00 S ATOM 0 H CYS B 7 14.914 -8.573 -7.889 1.00 0.00 H new ATOM 0 HA CYS B 7 13.356 -7.285 -5.740 1.00 0.00 H new ATOM 0 HB2 CYS B 7 15.221 -5.823 -7.041 1.00 0.00 H new ATOM 0 HB3 CYS B 7 13.945 -5.749 -8.241 1.00 0.00 H new ATOM 436 N GLY B 8 11.251 -7.452 -7.170 1.00 0.00 N ATOM 437 CA GLY B 8 10.013 -7.824 -7.876 1.00 0.00 C ATOM 438 C GLY B 8 9.875 -9.331 -8.115 1.00 0.00 C ATOM 439 O GLY B 8 10.159 -10.142 -7.233 1.00 0.00 O ATOM 0 H GLY B 8 11.089 -6.919 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY B 8 9.156 -7.476 -7.299 1.00 0.00 H new ATOM 0 HA3 GLY B 8 9.982 -7.308 -8.835 1.00 0.00 H new ATOM 443 N SER B 9 9.468 -9.727 -9.325 1.00 0.00 N ATOM 444 CA SER B 9 9.271 -11.140 -9.704 1.00 0.00 C ATOM 445 C SER B 9 10.533 -12.009 -9.575 1.00 0.00 C ATOM 446 O SER B 9 10.424 -13.208 -9.304 1.00 0.00 O ATOM 447 CB SER B 9 8.723 -11.226 -11.133 1.00 0.00 C ATOM 448 OG SER B 9 9.598 -10.573 -12.043 1.00 0.00 O ATOM 0 H SER B 9 9.262 -9.073 -10.080 1.00 0.00 H new ATOM 0 HA SER B 9 8.552 -11.545 -8.991 1.00 0.00 H new ATOM 0 HB2 SER B 9 8.604 -12.271 -11.421 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.735 -10.768 -11.178 1.00 0.00 H new ATOM 0 HG SER B 9 9.234 -10.639 -12.951 1.00 0.00 H new ATOM 454 N HIS B 10 11.736 -11.429 -9.678 1.00 0.00 N ATOM 455 CA HIS B 10 13.002 -12.140 -9.441 1.00 0.00 C ATOM 456 C HIS B 10 13.171 -12.520 -7.959 1.00 0.00 C ATOM 457 O HIS B 10 13.663 -13.603 -7.640 1.00 0.00 O ATOM 458 CB HIS B 10 14.194 -11.285 -9.907 1.00 0.00 C ATOM 459 CG HIS B 10 14.040 -10.654 -11.269 1.00 0.00 C ATOM 460 ND1 HIS B 10 13.667 -11.285 -12.436 1.00 0.00 N ATOM 461 CD2 HIS B 10 14.263 -9.340 -11.574 1.00 0.00 C ATOM 462 CE1 HIS B 10 13.657 -10.371 -13.420 1.00 0.00 C ATOM 463 NE2 HIS B 10 14.023 -9.167 -12.945 1.00 0.00 N ATOM 0 H HIS B 10 11.860 -10.448 -9.929 1.00 0.00 H new ATOM 0 HA HIS B 10 12.974 -13.062 -10.022 1.00 0.00 H new ATOM 0 HB2 HIS B 10 14.361 -10.495 -9.175 1.00 0.00 H new ATOM 0 HB3 HIS B 10 15.088 -11.909 -9.913 1.00 0.00 H new ATOM 0 HD2 HIS B 10 14.570 -8.571 -10.881 1.00 0.00 H new ATOM 0 HE1 HIS B 10 13.393 -10.574 -14.447 1.00 0.00 H new ATOM 0 HE2 HIS B 10 14.109 -8.300 -13.476 1.00 0.00 H new ATOM 471 N LEU B 11 12.714 -11.653 -7.048 1.00 0.00 N ATOM 472 CA LEU B 11 12.680 -11.937 -5.612 1.00 0.00 C ATOM 473 C LEU B 11 11.567 -12.940 -5.262 1.00 0.00 C ATOM 474 O LEU B 11 11.786 -13.828 -4.439 1.00 0.00 O ATOM 475 CB LEU B 11 12.547 -10.612 -4.839 1.00 0.00 C ATOM 476 CG LEU B 11 12.612 -10.760 -3.307 1.00 0.00 C ATOM 477 CD1 LEU B 11 13.884 -11.467 -2.849 1.00 0.00 C ATOM 478 CD2 LEU B 11 12.550 -9.397 -2.644 1.00 0.00 C ATOM 0 H LEU B 11 12.355 -10.729 -7.290 1.00 0.00 H new ATOM 0 HA LEU B 11 13.613 -12.415 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU B 11 13.340 -9.937 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU B 11 11.600 -10.143 -5.107 1.00 0.00 H new ATOM 0 HG LEU B 11 11.755 -11.366 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU B 11 13.884 -11.548 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU B 11 13.924 -12.464 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU B 11 14.754 -10.895 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU B 11 12.597 -9.516 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU B 11 13.392 -8.791 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU B 11 11.617 -8.903 -2.914 1.00 0.00 H new ATOM 490 N VAL B 12 10.408 -12.854 -5.928 1.00 0.00 N ATOM 491 CA VAL B 12 9.327 -13.854 -5.801 1.00 0.00 C ATOM 492 C VAL B 12 9.810 -15.241 -6.221 1.00 0.00 C ATOM 493 O VAL B 12 9.495 -16.205 -5.536 1.00 0.00 O ATOM 494 CB VAL B 12 8.060 -13.469 -6.593 1.00 0.00 C ATOM 495 CG1 VAL B 12 6.949 -14.523 -6.498 1.00 0.00 C ATOM 496 CG2 VAL B 12 7.466 -12.160 -6.064 1.00 0.00 C ATOM 0 H VAL B 12 10.189 -12.093 -6.570 1.00 0.00 H new ATOM 0 HA VAL B 12 9.054 -13.876 -4.746 1.00 0.00 H new ATOM 0 HB VAL B 12 8.387 -13.377 -7.629 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.085 -14.194 -7.076 1.00 0.00 H new ATOM 0 HG12 VAL B 12 7.312 -15.471 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.660 -14.654 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.574 -11.908 -6.637 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.201 -12.279 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.200 -11.360 -6.165 1.00 0.00 H new ATOM 506 N GLU B 13 10.615 -15.371 -7.280 1.00 0.00 N ATOM 507 CA GLU B 13 11.162 -16.672 -7.705 1.00 0.00 C ATOM 508 C GLU B 13 12.054 -17.314 -6.623 1.00 0.00 C ATOM 509 O GLU B 13 11.906 -18.504 -6.329 1.00 0.00 O ATOM 510 CB GLU B 13 11.910 -16.506 -9.037 1.00 0.00 C ATOM 511 CG GLU B 13 12.361 -17.845 -9.631 1.00 0.00 C ATOM 512 CD GLU B 13 12.987 -17.645 -11.024 1.00 0.00 C ATOM 513 OE1 GLU B 13 14.215 -17.403 -11.114 1.00 0.00 O ATOM 514 OE2 GLU B 13 12.259 -17.745 -12.043 1.00 0.00 O ATOM 0 H GLU B 13 10.906 -14.588 -7.865 1.00 0.00 H new ATOM 0 HA GLU B 13 10.330 -17.361 -7.853 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.264 -15.995 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.781 -15.869 -8.883 1.00 0.00 H new ATOM 0 HG2 GLU B 13 13.085 -18.317 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU B 13 11.509 -18.520 -9.704 1.00 0.00 H new ATOM 521 N ALA B 14 12.920 -16.531 -5.967 1.00 0.00 N ATOM 522 CA ALA B 14 13.731 -17.011 -4.845 1.00 0.00 C ATOM 523 C ALA B 14 12.875 -17.344 -3.609 1.00 0.00 C ATOM 524 O ALA B 14 13.042 -18.402 -3.002 1.00 0.00 O ATOM 525 CB ALA B 14 14.797 -15.956 -4.537 1.00 0.00 C ATOM 0 H ALA B 14 13.077 -15.550 -6.199 1.00 0.00 H new ATOM 0 HA ALA B 14 14.214 -17.947 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA B 14 15.413 -16.294 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA B 14 15.425 -15.806 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA B 14 14.313 -15.016 -4.273 1.00 0.00 H new ATOM 531 N LEU B 15 11.901 -16.491 -3.277 1.00 0.00 N ATOM 532 CA LEU B 15 10.918 -16.724 -2.214 1.00 0.00 C ATOM 533 C LEU B 15 10.119 -18.015 -2.444 1.00 0.00 C ATOM 534 O LEU B 15 9.917 -18.777 -1.504 1.00 0.00 O ATOM 535 CB LEU B 15 9.996 -15.489 -2.141 1.00 0.00 C ATOM 536 CG LEU B 15 8.900 -15.525 -1.065 1.00 0.00 C ATOM 537 CD1 LEU B 15 9.403 -15.889 0.333 1.00 0.00 C ATOM 538 CD2 LEU B 15 8.245 -14.144 -1.001 1.00 0.00 C ATOM 0 H LEU B 15 11.771 -15.598 -3.752 1.00 0.00 H new ATOM 0 HA LEU B 15 11.433 -16.860 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU B 15 10.615 -14.608 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU B 15 9.519 -15.360 -3.112 1.00 0.00 H new ATOM 0 HG LEU B 15 8.201 -16.309 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU B 15 8.566 -15.892 1.031 1.00 0.00 H new ATOM 0 HD12 LEU B 15 9.859 -16.879 0.309 1.00 0.00 H new ATOM 0 HD13 LEU B 15 10.143 -15.156 0.656 1.00 0.00 H new ATOM 0 HD21 LEU B 15 7.463 -14.147 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU B 15 8.996 -13.397 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.809 -13.903 -1.970 1.00 0.00 H new ATOM 550 N TYR B 16 9.723 -18.310 -3.681 1.00 0.00 N ATOM 551 CA TYR B 16 8.968 -19.509 -4.045 1.00 0.00 C ATOM 552 C TYR B 16 9.766 -20.792 -3.748 1.00 0.00 C ATOM 553 O TYR B 16 9.232 -21.747 -3.177 1.00 0.00 O ATOM 554 CB TYR B 16 8.579 -19.420 -5.534 1.00 0.00 C ATOM 555 CG TYR B 16 7.329 -20.188 -5.907 1.00 0.00 C ATOM 556 CD1 TYR B 16 7.378 -21.581 -6.102 1.00 0.00 C ATOM 557 CD2 TYR B 16 6.114 -19.490 -6.071 1.00 0.00 C ATOM 558 CE1 TYR B 16 6.207 -22.281 -6.447 1.00 0.00 C ATOM 559 CE2 TYR B 16 4.939 -20.189 -6.410 1.00 0.00 C ATOM 560 CZ TYR B 16 4.983 -21.589 -6.589 1.00 0.00 C ATOM 561 OH TYR B 16 3.838 -22.263 -6.887 1.00 0.00 O ATOM 0 H TYR B 16 9.923 -17.707 -4.479 1.00 0.00 H new ATOM 0 HA TYR B 16 8.064 -19.560 -3.439 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.437 -18.372 -5.797 1.00 0.00 H new ATOM 0 HB3 TYR B 16 9.409 -19.790 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.312 -22.111 -5.987 1.00 0.00 H new ATOM 0 HD2 TYR B 16 6.085 -18.419 -5.937 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.244 -23.349 -6.604 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.008 -19.656 -6.533 1.00 0.00 H new ATOM 0 HH TYR B 16 3.939 -23.205 -6.637 1.00 0.00 H new ATOM 571 N LEU B 17 11.063 -20.784 -4.082 1.00 0.00 N ATOM 572 CA LEU B 17 11.990 -21.899 -3.859 1.00 0.00 C ATOM 573 C LEU B 17 12.402 -22.046 -2.385 1.00 0.00 C ATOM 574 O LEU B 17 12.524 -23.174 -1.905 1.00 0.00 O ATOM 575 CB LEU B 17 13.219 -21.702 -4.766 1.00 0.00 C ATOM 576 CG LEU B 17 12.928 -21.829 -6.277 1.00 0.00 C ATOM 577 CD1 LEU B 17 14.169 -21.428 -7.077 1.00 0.00 C ATOM 578 CD2 LEU B 17 12.545 -23.256 -6.682 1.00 0.00 C ATOM 0 H LEU B 17 11.507 -19.980 -4.526 1.00 0.00 H new ATOM 0 HA LEU B 17 11.481 -22.828 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.643 -20.717 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.978 -22.435 -4.492 1.00 0.00 H new ATOM 0 HG LEU B 17 12.087 -21.170 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU B 17 13.960 -21.519 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU B 17 14.433 -20.396 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.999 -22.083 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU B 17 12.351 -23.290 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU B 17 13.363 -23.935 -6.439 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.649 -23.560 -6.141 1.00 0.00 H new ATOM 590 N VAL B 18 12.576 -20.941 -1.646 1.00 0.00 N ATOM 591 CA VAL B 18 12.916 -20.962 -0.210 1.00 0.00 C ATOM 592 C VAL B 18 11.705 -21.358 0.657 1.00 0.00 C ATOM 593 O VAL B 18 11.850 -22.129 1.606 1.00 0.00 O ATOM 594 CB VAL B 18 13.525 -19.611 0.228 1.00 0.00 C ATOM 595 CG1 VAL B 18 13.708 -19.551 1.744 1.00 0.00 C ATOM 596 CG2 VAL B 18 14.910 -19.411 -0.403 1.00 0.00 C ATOM 0 H VAL B 18 12.485 -19.999 -2.028 1.00 0.00 H new ATOM 0 HA VAL B 18 13.673 -21.731 -0.055 1.00 0.00 H new ATOM 0 HB VAL B 18 12.833 -18.835 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL B 18 14.138 -18.588 2.021 1.00 0.00 H new ATOM 0 HG12 VAL B 18 12.741 -19.670 2.232 1.00 0.00 H new ATOM 0 HG13 VAL B 18 14.376 -20.352 2.062 1.00 0.00 H new ATOM 0 HG21 VAL B 18 15.321 -18.454 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL B 18 15.574 -20.216 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL B 18 14.820 -19.421 -1.489 1.00 0.00 H new ATOM 606 N CYS B 19 10.507 -20.870 0.320 1.00 0.00 N ATOM 607 CA CYS B 19 9.262 -21.148 1.047 1.00 0.00 C ATOM 608 C CYS B 19 8.667 -22.525 0.724 1.00 0.00 C ATOM 609 O CYS B 19 8.027 -23.137 1.578 1.00 0.00 O ATOM 610 CB CYS B 19 8.278 -20.015 0.727 1.00 0.00 C ATOM 611 SG CYS B 19 6.787 -19.917 1.753 1.00 0.00 S ATOM 0 H CYS B 19 10.372 -20.257 -0.484 1.00 0.00 H new ATOM 0 HA CYS B 19 9.474 -21.183 2.116 1.00 0.00 H new ATOM 0 HB2 CYS B 19 8.811 -19.068 0.810 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.969 -20.117 -0.313 1.00 0.00 H new ATOM 616 N GLY B 20 8.887 -23.039 -0.490 1.00 0.00 N ATOM 617 CA GLY B 20 8.502 -24.401 -0.882 1.00 0.00 C ATOM 618 C GLY B 20 6.982 -24.611 -0.954 1.00 0.00 C ATOM 619 O GLY B 20 6.467 -25.597 -0.429 1.00 0.00 O ATOM 0 H GLY B 20 9.343 -22.516 -1.238 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.939 -24.628 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.925 -25.109 -0.170 1.00 0.00 H new ATOM 623 N GLU B 21 6.260 -23.657 -1.555 1.00 0.00 N ATOM 624 CA GLU B 21 4.790 -23.653 -1.723 1.00 0.00 C ATOM 625 C GLU B 21 3.965 -23.622 -0.416 1.00 0.00 C ATOM 626 O GLU B 21 2.753 -23.863 -0.428 1.00 0.00 O ATOM 627 CB GLU B 21 4.335 -24.750 -2.705 1.00 0.00 C ATOM 628 CG GLU B 21 5.056 -24.669 -4.056 1.00 0.00 C ATOM 629 CD GLU B 21 4.451 -25.622 -5.107 1.00 0.00 C ATOM 630 OE1 GLU B 21 4.439 -26.859 -4.884 1.00 0.00 O ATOM 631 OE2 GLU B 21 4.000 -25.143 -6.177 1.00 0.00 O ATOM 0 H GLU B 21 6.698 -22.828 -1.957 1.00 0.00 H new ATOM 0 HA GLU B 21 4.561 -22.686 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.515 -25.728 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.260 -24.666 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.009 -23.646 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU B 21 6.110 -24.909 -3.917 1.00 0.00 H new ATOM 638 N ARG B 22 4.590 -23.259 0.714 1.00 0.00 N ATOM 639 CA ARG B 22 3.938 -23.052 2.028 1.00 0.00 C ATOM 640 C ARG B 22 3.117 -21.748 2.130 1.00 0.00 C ATOM 641 O ARG B 22 2.397 -21.560 3.110 1.00 0.00 O ATOM 642 CB ARG B 22 5.010 -23.124 3.137 1.00 0.00 C ATOM 643 CG ARG B 22 5.696 -24.493 3.274 1.00 0.00 C ATOM 644 CD ARG B 22 4.746 -25.608 3.726 1.00 0.00 C ATOM 645 NE ARG B 22 5.476 -26.883 3.846 1.00 0.00 N ATOM 646 CZ ARG B 22 5.001 -28.026 4.305 1.00 0.00 C ATOM 647 NH1 ARG B 22 3.772 -28.152 4.718 1.00 0.00 N ATOM 648 NH2 ARG B 22 5.762 -29.081 4.359 1.00 0.00 N ATOM 0 H ARG B 22 5.596 -23.095 0.746 1.00 0.00 H new ATOM 0 HA ARG B 22 3.207 -23.850 2.153 1.00 0.00 H new ATOM 0 HB2 ARG B 22 5.771 -22.369 2.939 1.00 0.00 H new ATOM 0 HB3 ARG B 22 4.547 -22.867 4.090 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.137 -24.768 2.316 1.00 0.00 H new ATOM 0 HG3 ARG B 22 6.514 -24.411 3.989 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.297 -25.346 4.684 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.931 -25.713 3.010 1.00 0.00 H new ATOM 0 HE ARG B 22 6.450 -26.882 3.543 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.141 -27.351 4.693 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.441 -29.052 5.066 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.731 -29.027 4.046 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.389 -29.961 4.715 1.00 0.00 H new ATOM 662 N GLY B 23 3.195 -20.875 1.121 1.00 0.00 N ATOM 663 CA GLY B 23 2.515 -19.571 1.065 1.00 0.00 C ATOM 664 C GLY B 23 3.309 -18.449 1.745 1.00 0.00 C ATOM 665 O GLY B 23 4.015 -18.676 2.730 1.00 0.00 O ATOM 0 H GLY B 23 3.754 -21.061 0.288 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.340 -19.304 0.023 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.538 -19.657 1.541 1.00 0.00 H new ATOM 669 N PHE B 24 3.223 -17.232 1.202 1.00 0.00 N ATOM 670 CA PHE B 24 4.048 -16.083 1.602 1.00 0.00 C ATOM 671 C PHE B 24 3.308 -14.734 1.504 1.00 0.00 C ATOM 672 O PHE B 24 2.272 -14.619 0.848 1.00 0.00 O ATOM 673 CB PHE B 24 5.353 -16.092 0.785 1.00 0.00 C ATOM 674 CG PHE B 24 5.207 -16.266 -0.721 1.00 0.00 C ATOM 675 CD1 PHE B 24 4.671 -15.236 -1.516 1.00 0.00 C ATOM 676 CD2 PHE B 24 5.632 -17.463 -1.334 1.00 0.00 C ATOM 677 CE1 PHE B 24 4.583 -15.384 -2.912 1.00 0.00 C ATOM 678 CE2 PHE B 24 5.535 -17.618 -2.730 1.00 0.00 C ATOM 679 CZ PHE B 24 5.015 -16.577 -3.517 1.00 0.00 C ATOM 0 H PHE B 24 2.564 -17.010 0.455 1.00 0.00 H new ATOM 0 HA PHE B 24 4.285 -16.190 2.661 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.879 -15.156 0.971 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.987 -16.895 1.162 1.00 0.00 H new ATOM 0 HD1 PHE B 24 4.325 -14.325 -1.051 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.033 -18.264 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE B 24 4.185 -14.583 -3.517 1.00 0.00 H new ATOM 0 HE2 PHE B 24 5.860 -18.537 -3.196 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.947 -16.693 -4.589 1.00 0.00 H new ATOM 689 N PHE B 25 3.851 -13.710 2.169 1.00 0.00 N ATOM 690 CA PHE B 25 3.218 -12.397 2.367 1.00 0.00 C ATOM 691 C PHE B 25 3.182 -11.490 1.120 1.00 0.00 C ATOM 692 O PHE B 25 2.324 -10.611 1.045 1.00 0.00 O ATOM 693 CB PHE B 25 3.958 -11.682 3.511 1.00 0.00 C ATOM 694 CG PHE B 25 3.246 -10.453 4.053 1.00 0.00 C ATOM 695 CD1 PHE B 25 2.182 -10.603 4.961 1.00 0.00 C ATOM 696 CD2 PHE B 25 3.638 -9.159 3.653 1.00 0.00 C ATOM 697 CE1 PHE B 25 1.513 -9.473 5.468 1.00 0.00 C ATOM 698 CE2 PHE B 25 2.967 -8.029 4.155 1.00 0.00 C ATOM 699 CZ PHE B 25 1.906 -8.185 5.064 1.00 0.00 C ATOM 0 H PHE B 25 4.774 -13.771 2.600 1.00 0.00 H new ATOM 0 HA PHE B 25 2.171 -12.586 2.602 1.00 0.00 H new ATOM 0 HB2 PHE B 25 4.108 -12.389 4.327 1.00 0.00 H new ATOM 0 HB3 PHE B 25 4.947 -11.388 3.159 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.876 -11.591 5.271 1.00 0.00 H new ATOM 0 HD2 PHE B 25 4.456 -9.035 2.959 1.00 0.00 H new ATOM 0 HE1 PHE B 25 0.699 -9.595 6.167 1.00 0.00 H new ATOM 0 HE2 PHE B 25 3.267 -7.040 3.842 1.00 0.00 H new ATOM 0 HZ PHE B 25 1.394 -7.317 5.451 1.00 0.00 H new ATOM 709 N TYR B 26 4.112 -11.681 0.173 1.00 0.00 N ATOM 710 CA TYR B 26 4.390 -10.808 -0.970 1.00 0.00 C ATOM 711 C TYR B 26 3.221 -9.988 -1.539 1.00 0.00 C ATOM 712 O TYR B 26 2.212 -10.525 -2.009 1.00 0.00 O ATOM 713 CB TYR B 26 5.064 -11.622 -2.078 1.00 0.00 C ATOM 714 CG TYR B 26 6.118 -10.794 -2.760 1.00 0.00 C ATOM 715 CD1 TYR B 26 7.386 -10.717 -2.163 1.00 0.00 C ATOM 716 CD2 TYR B 26 5.820 -10.026 -3.900 1.00 0.00 C ATOM 717 CE1 TYR B 26 8.370 -9.888 -2.711 1.00 0.00 C ATOM 718 CE2 TYR B 26 6.810 -9.197 -4.458 1.00 0.00 C ATOM 719 CZ TYR B 26 8.092 -9.129 -3.870 1.00 0.00 C ATOM 720 OH TYR B 26 9.043 -8.330 -4.424 1.00 0.00 O ATOM 0 H TYR B 26 4.724 -12.497 0.188 1.00 0.00 H new ATOM 0 HA TYR B 26 5.049 -10.040 -0.565 1.00 0.00 H new ATOM 0 HB2 TYR B 26 5.513 -12.521 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR B 26 4.320 -11.948 -2.805 1.00 0.00 H new ATOM 0 HD1 TYR B 26 7.602 -11.299 -1.279 1.00 0.00 H new ATOM 0 HD2 TYR B 26 4.837 -10.072 -4.344 1.00 0.00 H new ATOM 0 HE1 TYR B 26 9.344 -9.828 -2.248 1.00 0.00 H new ATOM 0 HE2 TYR B 26 6.589 -8.611 -5.338 1.00 0.00 H new ATOM 0 HH TYR B 26 8.675 -7.885 -5.216 1.00 0.00 H new ATOM 730 N THR B 27 3.409 -8.666 -1.533 1.00 0.00 N ATOM 731 CA THR B 27 2.462 -7.652 -2.022 1.00 0.00 C ATOM 732 C THR B 27 3.162 -6.654 -2.964 1.00 0.00 C ATOM 733 O THR B 27 4.311 -6.283 -2.705 1.00 0.00 O ATOM 734 CB THR B 27 1.772 -6.942 -0.843 1.00 0.00 C ATOM 735 OG1 THR B 27 0.976 -5.878 -1.317 1.00 0.00 O ATOM 736 CG2 THR B 27 2.726 -6.365 0.215 1.00 0.00 C ATOM 0 H THR B 27 4.267 -8.250 -1.170 1.00 0.00 H new ATOM 0 HA THR B 27 1.687 -8.152 -2.602 1.00 0.00 H new ATOM 0 HB THR B 27 1.183 -7.722 -0.361 1.00 0.00 H new ATOM 0 HG1 THR B 27 1.402 -5.025 -1.091 1.00 0.00 H new ATOM 0 HG21 THR B 27 2.147 -5.885 1.004 1.00 0.00 H new ATOM 0 HG22 THR B 27 3.325 -7.169 0.642 1.00 0.00 H new ATOM 0 HG23 THR B 27 3.384 -5.631 -0.250 1.00 0.00 H new ATOM 744 N PRO B 28 2.511 -6.195 -4.053 1.00 0.00 N ATOM 745 CA PRO B 28 3.108 -5.266 -5.025 1.00 0.00 C ATOM 746 C PRO B 28 3.222 -3.808 -4.533 1.00 0.00 C ATOM 747 O PRO B 28 3.831 -2.986 -5.227 1.00 0.00 O ATOM 748 CB PRO B 28 2.220 -5.376 -6.269 1.00 0.00 C ATOM 749 CG PRO B 28 0.845 -5.689 -5.683 1.00 0.00 C ATOM 750 CD PRO B 28 1.186 -6.606 -4.513 1.00 0.00 C ATOM 0 HA PRO B 28 4.145 -5.541 -5.216 1.00 0.00 H new ATOM 0 HB2 PRO B 28 2.213 -4.449 -6.843 1.00 0.00 H new ATOM 0 HB3 PRO B 28 2.562 -6.164 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO B 28 0.329 -4.787 -5.355 1.00 0.00 H new ATOM 0 HG3 PRO B 28 0.197 -6.181 -6.409 1.00 0.00 H new ATOM 0 HD2 PRO B 28 0.449 -6.511 -3.715 1.00 0.00 H new ATOM 0 HD3 PRO B 28 1.187 -7.651 -4.823 1.00 0.00 H new ATOM 758 N LYS B 29 2.642 -3.466 -3.371 1.00 0.00 N ATOM 759 CA LYS B 29 2.704 -2.128 -2.747 1.00 0.00 C ATOM 760 C LYS B 29 2.917 -2.216 -1.228 1.00 0.00 C ATOM 761 O LYS B 29 2.318 -3.051 -0.551 1.00 0.00 O ATOM 762 CB LYS B 29 1.423 -1.322 -3.059 1.00 0.00 C ATOM 763 CG LYS B 29 1.210 -0.977 -4.548 1.00 0.00 C ATOM 764 CD LYS B 29 2.246 0.028 -5.080 1.00 0.00 C ATOM 765 CE LYS B 29 2.116 0.258 -6.593 1.00 0.00 C ATOM 766 NZ LYS B 29 2.563 -0.929 -7.371 1.00 0.00 N ATOM 0 H LYS B 29 2.099 -4.132 -2.820 1.00 0.00 H new ATOM 0 HA LYS B 29 3.563 -1.611 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS B 29 0.561 -1.889 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS B 29 1.449 -0.394 -2.488 1.00 0.00 H new ATOM 0 HG2 LYS B 29 1.260 -1.891 -5.139 1.00 0.00 H new ATOM 0 HG3 LYS B 29 0.209 -0.566 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS B 29 2.127 0.978 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS B 29 3.249 -0.335 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS B 29 1.078 0.484 -6.839 1.00 0.00 H new ATOM 0 HE3 LYS B 29 2.709 1.126 -6.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 3.271 -0.637 -8.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 2.983 -1.628 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 1.747 -1.353 -7.857 1.00 0.00 H new ATOM 780 N THR B 30 3.752 -1.327 -0.691 1.00 0.00 N ATOM 781 CA THR B 30 4.058 -1.198 0.746 1.00 0.00 C ATOM 782 C THR B 30 3.083 -0.258 1.476 1.00 0.00 C ATOM 783 O THR B 30 2.384 0.550 0.853 1.00 0.00 O ATOM 784 CB THR B 30 5.510 -0.726 0.944 1.00 0.00 C ATOM 785 OG1 THR B 30 5.765 0.427 0.167 1.00 0.00 O ATOM 786 CG2 THR B 30 6.516 -1.801 0.531 1.00 0.00 C ATOM 0 H THR B 30 4.257 -0.648 -1.261 1.00 0.00 H new ATOM 0 HA THR B 30 3.937 -2.187 1.188 1.00 0.00 H new ATOM 0 HB THR B 30 5.627 -0.509 2.006 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.691 0.716 0.305 1.00 0.00 H new ATOM 0 HG21 THR B 30 7.529 -1.430 0.686 1.00 0.00 H new ATOM 0 HG22 THR B 30 6.361 -2.695 1.135 1.00 0.00 H new ATOM 0 HG23 THR B 30 6.376 -2.045 -0.522 1.00 0.00 H new ATOM 794 N LYS B 31 3.021 -0.358 2.811 1.00 0.00 N ATOM 795 CA LYS B 31 2.130 0.456 3.665 1.00 0.00 C ATOM 796 C LYS B 31 2.551 1.936 3.751 1.00 0.00 C ATOM 797 O LYS B 31 1.686 2.808 3.852 1.00 0.00 O ATOM 798 CB LYS B 31 2.065 -0.214 5.056 1.00 0.00 C ATOM 799 CG LYS B 31 1.113 0.453 6.065 1.00 0.00 C ATOM 800 CD LYS B 31 -0.357 0.467 5.609 1.00 0.00 C ATOM 801 CE LYS B 31 -1.243 1.063 6.709 1.00 0.00 C ATOM 802 NZ LYS B 31 -2.670 1.099 6.289 1.00 0.00 N ATOM 0 H LYS B 31 3.595 -1.015 3.340 1.00 0.00 H new ATOM 0 HA LYS B 31 1.138 0.484 3.215 1.00 0.00 H new ATOM 0 HB2 LYS B 31 1.761 -1.253 4.927 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.068 -0.227 5.482 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.184 -0.070 7.019 1.00 0.00 H new ATOM 0 HG3 LYS B 31 1.441 1.478 6.238 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -0.457 1.051 4.694 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -0.684 -0.547 5.377 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -1.144 0.472 7.620 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.905 2.072 6.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -3.246 1.507 7.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -2.765 1.683 5.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -2.997 0.133 6.087 1.00 0.00 H new ATOM 816 N ARG B 32 3.860 2.214 3.691 1.00 0.00 N ATOM 817 CA ARG B 32 4.480 3.554 3.728 1.00 0.00 C ATOM 818 C ARG B 32 5.754 3.600 2.876 1.00 0.00 C ATOM 819 O ARG B 32 6.605 2.691 3.011 1.00 0.00 O ATOM 820 CB ARG B 32 4.751 3.940 5.197 1.00 0.00 C ATOM 821 CG ARG B 32 5.349 5.348 5.398 1.00 0.00 C ATOM 822 CD ARG B 32 4.513 6.493 4.797 1.00 0.00 C ATOM 823 NE ARG B 32 3.158 6.573 5.380 1.00 0.00 N ATOM 824 CZ ARG B 32 2.146 7.279 4.918 1.00 0.00 C ATOM 825 NH1 ARG B 32 2.248 8.020 3.853 1.00 0.00 N ATOM 826 NH2 ARG B 32 0.999 7.259 5.532 1.00 0.00 N ATOM 827 OXT ARG B 32 5.884 4.540 2.062 1.00 0.00 O ATOM 0 H ARG B 32 4.556 1.473 3.611 1.00 0.00 H new ATOM 0 HA ARG B 32 3.796 4.285 3.295 1.00 0.00 H new ATOM 0 HB2 ARG B 32 3.816 3.875 5.753 1.00 0.00 H new ATOM 0 HB3 ARG B 32 5.431 3.207 5.631 1.00 0.00 H new ATOM 0 HG2 ARG B 32 5.471 5.527 6.466 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.345 5.372 4.955 1.00 0.00 H new ATOM 0 HD2 ARG B 32 5.030 7.439 4.958 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.433 6.353 3.719 1.00 0.00 H new ATOM 0 HE ARG B 32 2.989 6.027 6.225 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.133 8.067 3.347 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.443 8.553 3.524 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.881 6.695 6.374 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.218 7.807 5.171 1.00 0.00 H new TER 841 ARG B 32