USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 404 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: B 1 PHE N :NH3+ 172:sc= 0.543 (180deg=0) USER MOD Set 1.2: B 4 GLN : amide:sc= 0.538 K(o=1.1,f=-0.15) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.605 K(o=1.3,f=-1.2) USER MOD Set 2.2: A 18 ASN : amide:sc= 0.723 K(o=1.3,f=-0.54) USER MOD Set 3.1: A 8 THR OG1 : rot -75:sc= 0.0598 USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -146:sc= 1.19 (180deg=0.585) USER MOD Single : A 5 GLN : amide:sc= 0.811 K(o=0.81,f=-0.3) 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 19 TYR OH : rot 180:sc= -0.0607 USER MOD Single : B 3 ASN : amide:sc= 0.468 K(o=0.47,f=-3.2!) USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 9 SER OG : rot 90:sc= 0.815 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 150:sc=-0.00617 USER MOD Single : B 27 THR OG1 : rot -35:sc= 0.277 USER MOD Single : B 29 LYS NZ :NH3+ 164:sc= 2.29 (180deg=2.15) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.095 -23.953 7.317 1.00 0.00 N ATOM 2 CA GLY A 1 -7.999 -23.545 6.217 1.00 0.00 C ATOM 3 C GLY A 1 -7.511 -22.285 5.515 1.00 0.00 C ATOM 4 O GLY A 1 -6.608 -21.607 6.004 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.076 -24.991 7.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.135 -23.601 7.126 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.438 -23.554 8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.078 -24.356 5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.999 -23.374 6.614 1.00 0.00 H new ATOM 10 N ILE A 2 -8.099 -21.955 4.359 1.00 0.00 N ATOM 11 CA ILE A 2 -7.602 -20.891 3.460 1.00 0.00 C ATOM 12 C ILE A 2 -7.547 -19.505 4.110 1.00 0.00 C ATOM 13 O ILE A 2 -6.511 -18.850 4.038 1.00 0.00 O ATOM 14 CB ILE A 2 -8.359 -20.904 2.108 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.883 -19.812 1.117 1.00 0.00 C ATOM 16 CG2 ILE A 2 -9.895 -20.924 2.237 1.00 0.00 C ATOM 17 CD1 ILE A 2 -8.558 -18.432 1.193 1.00 0.00 C ATOM 0 H ILE A 2 -8.939 -22.418 4.013 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.559 -21.125 3.249 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.084 -21.865 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.812 -19.670 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.018 -20.196 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.343 -20.932 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.203 -21.817 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.226 -20.037 2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.124 -17.773 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.627 -18.539 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.403 -18.005 2.184 1.00 0.00 H new ATOM 29 N VAL A 3 -8.606 -19.045 4.785 1.00 0.00 N ATOM 30 CA VAL A 3 -8.584 -17.693 5.381 1.00 0.00 C ATOM 31 C VAL A 3 -7.659 -17.637 6.603 1.00 0.00 C ATOM 32 O VAL A 3 -6.966 -16.641 6.765 1.00 0.00 O ATOM 33 CB VAL A 3 -9.996 -17.141 5.658 1.00 0.00 C ATOM 34 CG1 VAL A 3 -9.979 -15.736 6.275 1.00 0.00 C ATOM 35 CG2 VAL A 3 -10.831 -17.103 4.375 1.00 0.00 C ATOM 0 H VAL A 3 -9.469 -19.567 4.933 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.159 -17.018 4.638 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.444 -17.824 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.002 -15.402 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.441 -15.761 7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.481 -15.046 5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.823 -16.710 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.342 -16.461 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.923 -18.111 3.971 1.00 0.00 H new ATOM 45 N GLU A 4 -7.534 -18.713 7.396 1.00 0.00 N ATOM 46 CA GLU A 4 -6.510 -18.800 8.461 1.00 0.00 C ATOM 47 C GLU A 4 -5.094 -18.647 7.880 1.00 0.00 C ATOM 48 O GLU A 4 -4.299 -17.857 8.390 1.00 0.00 O ATOM 49 CB GLU A 4 -6.596 -20.140 9.220 1.00 0.00 C ATOM 50 CG GLU A 4 -7.765 -20.241 10.223 1.00 0.00 C ATOM 51 CD GLU A 4 -8.588 -21.550 10.164 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.648 -21.622 10.833 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.235 -22.506 9.434 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.128 -19.539 7.323 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.709 -17.984 9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.688 -20.948 8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.660 -20.298 9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.365 -20.130 11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.439 -19.402 10.053 1.00 0.00 H new ATOM 60 N GLN A 5 -4.807 -19.341 6.771 1.00 0.00 N ATOM 61 CA GLN A 5 -3.555 -19.214 6.020 1.00 0.00 C ATOM 62 C GLN A 5 -3.337 -17.775 5.511 1.00 0.00 C ATOM 63 O GLN A 5 -2.221 -17.267 5.610 1.00 0.00 O ATOM 64 CB GLN A 5 -3.556 -20.263 4.889 1.00 0.00 C ATOM 65 CG GLN A 5 -2.402 -20.154 3.880 1.00 0.00 C ATOM 66 CD GLN A 5 -1.025 -20.476 4.459 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.858 -21.246 5.396 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.024 -19.929 3.889 1.00 0.00 N ATOM 0 H GLN A 5 -5.452 -20.019 6.364 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.707 -19.412 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.529 -21.256 5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.498 -20.185 4.346 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.599 -20.828 3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.385 -19.143 3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.098 -19.285 3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.961 -20.148 4.228 1.00 0.00 H new ATOM 77 N CYS A 6 -4.380 -17.089 5.027 1.00 0.00 N ATOM 78 CA CYS A 6 -4.282 -15.687 4.603 1.00 0.00 C ATOM 79 C CYS A 6 -4.064 -14.715 5.783 1.00 0.00 C ATOM 80 O CYS A 6 -3.349 -13.725 5.629 1.00 0.00 O ATOM 81 CB CYS A 6 -5.533 -15.261 3.819 1.00 0.00 C ATOM 82 SG CYS A 6 -5.989 -16.165 2.306 1.00 0.00 S ATOM 0 H CYS A 6 -5.312 -17.489 4.919 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.404 -15.630 3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.381 -15.316 4.501 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.409 -14.212 3.549 1.00 0.00 H new ATOM 87 N CYS A 7 -4.646 -14.973 6.962 1.00 0.00 N ATOM 88 CA CYS A 7 -4.445 -14.143 8.157 1.00 0.00 C ATOM 89 C CYS A 7 -2.977 -14.181 8.642 1.00 0.00 C ATOM 90 O CYS A 7 -2.446 -13.153 9.069 1.00 0.00 O ATOM 91 CB CYS A 7 -5.374 -14.612 9.292 1.00 0.00 C ATOM 92 SG CYS A 7 -7.171 -14.583 9.001 1.00 0.00 S ATOM 0 H CYS A 7 -5.271 -15.765 7.114 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.685 -13.115 7.885 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.095 -15.634 9.550 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.168 -13.995 10.167 1.00 0.00 H new ATOM 97 N THR A 8 -2.318 -15.348 8.587 1.00 0.00 N ATOM 98 CA THR A 8 -0.948 -15.554 9.106 1.00 0.00 C ATOM 99 C THR A 8 0.168 -15.361 8.068 1.00 0.00 C ATOM 100 O THR A 8 1.252 -14.892 8.429 1.00 0.00 O ATOM 101 CB THR A 8 -0.800 -16.957 9.723 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.082 -17.964 8.774 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.725 -17.167 10.925 1.00 0.00 C ATOM 0 H THR A 8 -2.723 -16.189 8.176 1.00 0.00 H new ATOM 0 HA THR A 8 -0.823 -14.776 9.859 1.00 0.00 H new ATOM 0 HB THR A 8 0.236 -17.027 10.054 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.050 -18.015 8.629 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.582 -18.172 11.323 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.491 -16.434 11.697 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.762 -17.045 10.612 1.00 0.00 H new ATOM 111 N SER A 9 -0.073 -15.702 6.797 1.00 0.00 N ATOM 112 CA SER A 9 0.967 -15.963 5.783 1.00 0.00 C ATOM 113 C SER A 9 0.515 -15.611 4.350 1.00 0.00 C ATOM 114 O SER A 9 -0.572 -15.071 4.131 1.00 0.00 O ATOM 115 CB SER A 9 1.358 -17.453 5.866 1.00 0.00 C ATOM 116 OG SER A 9 2.035 -17.746 7.080 1.00 0.00 O ATOM 0 H SER A 9 -1.019 -15.808 6.431 1.00 0.00 H new ATOM 0 HA SER A 9 1.820 -15.320 5.998 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.463 -18.070 5.789 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.996 -17.711 5.021 1.00 0.00 H new ATOM 0 HG SER A 9 2.268 -18.698 7.103 1.00 0.00 H new ATOM 122 N ILE A 10 1.367 -15.899 3.355 1.00 0.00 N ATOM 123 CA ILE A 10 1.042 -15.795 1.920 1.00 0.00 C ATOM 124 C ILE A 10 -0.167 -16.666 1.519 1.00 0.00 C ATOM 125 O ILE A 10 -0.461 -17.682 2.156 1.00 0.00 O ATOM 126 CB ILE A 10 2.288 -16.063 1.033 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.227 -17.221 1.447 1.00 0.00 C ATOM 128 CG2 ILE A 10 3.129 -14.777 0.966 1.00 0.00 C ATOM 129 CD1 ILE A 10 2.575 -18.606 1.459 1.00 0.00 C ATOM 0 H ILE A 10 2.321 -16.217 3.526 1.00 0.00 H new ATOM 0 HA ILE A 10 0.737 -14.764 1.739 1.00 0.00 H new ATOM 0 HB ILE A 10 1.866 -16.376 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.077 -17.242 0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.621 -17.012 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.009 -14.949 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.532 -13.974 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.443 -14.495 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.310 -19.352 1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.743 -18.610 2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.207 -18.843 0.461 1.00 0.00 H new ATOM 141 N CYS A 11 -0.888 -16.256 0.471 1.00 0.00 N ATOM 142 CA CYS A 11 -2.175 -16.839 0.074 1.00 0.00 C ATOM 143 C CYS A 11 -2.402 -16.740 -1.445 1.00 0.00 C ATOM 144 O CYS A 11 -2.293 -15.661 -2.032 1.00 0.00 O ATOM 145 CB CYS A 11 -3.313 -16.145 0.846 1.00 0.00 C ATOM 146 SG CYS A 11 -4.392 -17.298 1.729 1.00 0.00 S ATOM 0 H CYS A 11 -0.588 -15.494 -0.138 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.164 -17.900 0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.882 -15.443 1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.912 -15.561 0.147 1.00 0.00 H new ATOM 151 N SER A 12 -2.771 -17.864 -2.064 1.00 0.00 N ATOM 152 CA SER A 12 -2.814 -18.049 -3.525 1.00 0.00 C ATOM 153 C SER A 12 -4.088 -18.769 -3.973 1.00 0.00 C ATOM 154 O SER A 12 -4.750 -19.437 -3.178 1.00 0.00 O ATOM 155 CB SER A 12 -1.580 -18.842 -3.988 1.00 0.00 C ATOM 156 OG SER A 12 -0.378 -18.183 -3.622 1.00 0.00 O ATOM 0 H SER A 12 -3.057 -18.698 -1.551 1.00 0.00 H new ATOM 0 HA SER A 12 -2.813 -17.060 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.599 -19.839 -3.548 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.612 -18.970 -5.070 1.00 0.00 H new ATOM 0 HG SER A 12 0.390 -18.710 -3.927 1.00 0.00 H new ATOM 162 N LEU A 13 -4.427 -18.687 -5.265 1.00 0.00 N ATOM 163 CA LEU A 13 -5.634 -19.316 -5.827 1.00 0.00 C ATOM 164 C LEU A 13 -5.598 -20.857 -5.743 1.00 0.00 C ATOM 165 O LEU A 13 -6.647 -21.495 -5.693 1.00 0.00 O ATOM 166 CB LEU A 13 -5.865 -18.831 -7.272 1.00 0.00 C ATOM 167 CG LEU A 13 -6.305 -17.355 -7.403 1.00 0.00 C ATOM 168 CD1 LEU A 13 -5.143 -16.357 -7.349 1.00 0.00 C ATOM 169 CD2 LEU A 13 -7.024 -17.147 -8.737 1.00 0.00 C ATOM 0 H LEU A 13 -3.871 -18.181 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.480 -19.003 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.944 -18.972 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.623 -19.463 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.955 -17.165 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.530 -15.343 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.622 -16.456 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.450 -16.562 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.333 -16.105 -8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.350 -17.397 -9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.903 -17.791 -8.781 1.00 0.00 H new ATOM 181 N TYR A 14 -4.412 -21.461 -5.617 1.00 0.00 N ATOM 182 CA TYR A 14 -4.251 -22.881 -5.277 1.00 0.00 C ATOM 183 C TYR A 14 -4.874 -23.241 -3.911 1.00 0.00 C ATOM 184 O TYR A 14 -5.496 -24.295 -3.776 1.00 0.00 O ATOM 185 CB TYR A 14 -2.753 -23.217 -5.320 1.00 0.00 C ATOM 186 CG TYR A 14 -2.406 -24.649 -4.951 1.00 0.00 C ATOM 187 CD1 TYR A 14 -1.653 -24.919 -3.790 1.00 0.00 C ATOM 188 CD2 TYR A 14 -2.823 -25.709 -5.779 1.00 0.00 C ATOM 189 CE1 TYR A 14 -1.314 -26.246 -3.459 1.00 0.00 C ATOM 190 CE2 TYR A 14 -2.490 -27.038 -5.449 1.00 0.00 C ATOM 191 CZ TYR A 14 -1.732 -27.310 -4.289 1.00 0.00 C ATOM 192 OH TYR A 14 -1.403 -28.596 -3.984 1.00 0.00 O ATOM 0 H TYR A 14 -3.526 -20.973 -5.749 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.791 -23.483 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.379 -23.016 -6.324 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.226 -22.545 -4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.335 -24.107 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.399 -25.503 -6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.735 -26.450 -2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.815 -27.849 -6.084 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.774 -29.198 -4.662 1.00 0.00 H new ATOM 202 N GLN A 15 -4.786 -22.348 -2.913 1.00 0.00 N ATOM 203 CA GLN A 15 -5.465 -22.511 -1.620 1.00 0.00 C ATOM 204 C GLN A 15 -6.971 -22.212 -1.686 1.00 0.00 C ATOM 205 O GLN A 15 -7.717 -22.752 -0.870 1.00 0.00 O ATOM 206 CB GLN A 15 -4.788 -21.663 -0.527 1.00 0.00 C ATOM 207 CG GLN A 15 -3.404 -22.198 -0.115 1.00 0.00 C ATOM 208 CD GLN A 15 -3.440 -23.515 0.671 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.477 -24.109 0.946 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.297 -24.028 1.071 1.00 0.00 N ATOM 0 H GLN A 15 -4.239 -21.489 -2.981 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.369 -23.565 -1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.683 -20.638 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.434 -21.630 0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.802 -22.341 -1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.901 -21.443 0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.421 -23.552 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.287 -24.901 1.598 1.00 0.00 H new ATOM 219 N LEU A 16 -7.453 -21.434 -2.668 1.00 0.00 N ATOM 220 CA LEU A 16 -8.889 -21.402 -2.975 1.00 0.00 C ATOM 221 C LEU A 16 -9.341 -22.766 -3.503 1.00 0.00 C ATOM 222 O LEU A 16 -10.208 -23.377 -2.895 1.00 0.00 O ATOM 223 CB LEU A 16 -9.276 -20.277 -3.954 1.00 0.00 C ATOM 224 CG LEU A 16 -9.034 -18.846 -3.450 1.00 0.00 C ATOM 225 CD1 LEU A 16 -9.419 -17.863 -4.555 1.00 0.00 C ATOM 226 CD2 LEU A 16 -9.878 -18.508 -2.221 1.00 0.00 C ATOM 0 H LEU A 16 -6.879 -20.828 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.410 -21.181 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.717 -20.417 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.332 -20.382 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.981 -18.772 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.252 -16.843 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.809 -18.051 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.472 -17.993 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.669 -17.486 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.935 -18.602 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.633 -19.195 -1.411 1.00 0.00 H new ATOM 238 N GLU A 17 -8.725 -23.299 -4.562 1.00 0.00 N ATOM 239 CA GLU A 17 -9.093 -24.604 -5.149 1.00 0.00 C ATOM 240 C GLU A 17 -8.950 -25.799 -4.179 1.00 0.00 C ATOM 241 O GLU A 17 -9.579 -26.840 -4.382 1.00 0.00 O ATOM 242 CB GLU A 17 -8.258 -24.860 -6.417 1.00 0.00 C ATOM 243 CG GLU A 17 -8.563 -23.899 -7.577 1.00 0.00 C ATOM 244 CD GLU A 17 -10.027 -23.940 -8.064 1.00 0.00 C ATOM 245 OE1 GLU A 17 -10.556 -22.882 -8.477 1.00 0.00 O ATOM 246 OE2 GLU A 17 -10.664 -25.019 -8.084 1.00 0.00 O1- ATOM 0 H GLU A 17 -7.952 -22.840 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.154 -24.537 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.201 -24.782 -6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.431 -25.883 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.324 -22.882 -7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.907 -24.138 -8.414 1.00 0.00 H new ATOM 253 N ASN A 18 -8.179 -25.651 -3.095 1.00 0.00 N ATOM 254 CA ASN A 18 -8.074 -26.626 -2.003 1.00 0.00 C ATOM 255 C ASN A 18 -9.414 -26.849 -1.252 1.00 0.00 C ATOM 256 O ASN A 18 -9.621 -27.921 -0.679 1.00 0.00 O ATOM 257 CB ASN A 18 -6.951 -26.140 -1.063 1.00 0.00 C ATOM 258 CG ASN A 18 -6.430 -27.182 -0.083 1.00 0.00 C ATOM 259 OD1 ASN A 18 -6.651 -28.381 -0.198 1.00 0.00 O ATOM 260 ND2 ASN A 18 -5.668 -26.758 0.899 1.00 0.00 N ATOM 0 H ASN A 18 -7.595 -24.827 -2.949 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.831 -27.607 -2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.118 -25.787 -1.671 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.318 -25.284 -0.497 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.266 -27.425 1.557 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.478 -25.761 1.003 1.00 0.00 H new ATOM 267 N TYR A 19 -10.341 -25.877 -1.285 1.00 0.00 N ATOM 268 CA TYR A 19 -11.645 -25.942 -0.594 1.00 0.00 C ATOM 269 C TYR A 19 -12.842 -25.461 -1.442 1.00 0.00 C ATOM 270 O TYR A 19 -13.947 -25.991 -1.308 1.00 0.00 O ATOM 271 CB TYR A 19 -11.568 -25.149 0.720 1.00 0.00 C ATOM 272 CG TYR A 19 -10.367 -25.448 1.600 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.330 -26.616 2.387 1.00 0.00 C ATOM 274 CD2 TYR A 19 -9.282 -24.552 1.629 1.00 0.00 C ATOM 275 CE1 TYR A 19 -9.225 -26.871 3.224 1.00 0.00 C ATOM 276 CE2 TYR A 19 -8.174 -24.803 2.462 1.00 0.00 C ATOM 277 CZ TYR A 19 -8.149 -25.958 3.271 1.00 0.00 C ATOM 278 OH TYR A 19 -7.098 -26.170 4.109 1.00 0.00 O ATOM 0 H TYR A 19 -10.205 -25.008 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 19 -11.836 -26.997 -0.398 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.565 -24.085 0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.474 -25.344 1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.150 -27.318 2.349 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.299 -23.668 1.009 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.201 -27.765 3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.345 -24.112 2.481 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.449 -25.443 4.010 1.00 0.00 H new ATOM 288 N CYS A 20 -12.638 -24.495 -2.341 1.00 0.00 N ATOM 289 CA CYS A 20 -13.562 -24.108 -3.407 1.00 0.00 C ATOM 290 C CYS A 20 -13.621 -25.219 -4.480 1.00 0.00 C ATOM 291 O CYS A 20 -12.989 -25.122 -5.534 1.00 0.00 O ATOM 292 CB CYS A 20 -13.152 -22.738 -3.993 1.00 0.00 C ATOM 293 SG CYS A 20 -14.314 -22.117 -5.243 1.00 0.00 S ATOM 0 H CYS A 20 -11.785 -23.936 -2.345 1.00 0.00 H new ATOM 0 HA CYS A 20 -14.568 -23.995 -3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -13.077 -22.012 -3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -12.161 -22.823 -4.438 1.00 0.00 H new ATOM 298 N GLY A 21 -14.329 -26.314 -4.170 1.00 0.00 N ATOM 299 CA GLY A 21 -14.529 -27.477 -5.050 1.00 0.00 C ATOM 300 C GLY A 21 -15.396 -27.161 -6.267 1.00 0.00 C ATOM 301 O GLY A 21 -14.892 -27.299 -7.404 1.00 0.00 O ATOM 302 OXT GLY A 21 -16.573 -26.789 -6.064 1.00 0.00 O1- ATOM 0 H GLY A 21 -14.795 -26.419 -3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.559 -27.842 -5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.992 -28.282 -4.480 1.00 0.00 H new TER 306 GLY A 21 ATOM 307 N PHE B 1 -7.545 -10.063 -3.895 1.00 0.00 N ATOM 308 CA PHE B 1 -7.342 -11.370 -3.215 1.00 0.00 C ATOM 309 C PHE B 1 -5.865 -11.748 -3.028 1.00 0.00 C ATOM 310 O PHE B 1 -5.422 -11.871 -1.888 1.00 0.00 O ATOM 311 CB PHE B 1 -8.124 -12.522 -3.881 1.00 0.00 C ATOM 312 CG PHE B 1 -7.734 -13.889 -3.340 1.00 0.00 C ATOM 313 CD1 PHE B 1 -7.032 -14.802 -4.151 1.00 0.00 C ATOM 314 CD2 PHE B 1 -7.974 -14.204 -1.988 1.00 0.00 C ATOM 315 CE1 PHE B 1 -6.556 -16.007 -3.606 1.00 0.00 C ATOM 316 CE2 PHE B 1 -7.497 -15.410 -1.445 1.00 0.00 C ATOM 317 CZ PHE B 1 -6.781 -16.310 -2.252 1.00 0.00 C ATOM 0 H1 PHE B 1 -8.555 -9.936 -4.108 1.00 0.00 H new ATOM 0 H2 PHE B 1 -7.223 -9.294 -3.273 1.00 0.00 H new ATOM 0 H3 PHE B 1 -6.999 -10.044 -4.780 1.00 0.00 H new ATOM 0 HA PHE B 1 -7.756 -11.222 -2.218 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -9.192 -12.367 -3.727 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -7.950 -12.499 -4.957 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -6.859 -14.576 -5.193 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -8.527 -13.516 -1.366 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -6.015 -16.703 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -7.681 -15.645 -0.407 1.00 0.00 H new ATOM 0 HZ PHE B 1 -6.405 -17.232 -1.833 1.00 0.00 H new ATOM 329 N VAL B 2 -5.109 -12.009 -4.106 1.00 0.00 N ATOM 330 CA VAL B 2 -3.810 -12.715 -4.032 1.00 0.00 C ATOM 331 C VAL B 2 -2.779 -12.016 -3.127 1.00 0.00 C ATOM 332 O VAL B 2 -2.567 -10.805 -3.215 1.00 0.00 O ATOM 333 CB VAL B 2 -3.274 -13.007 -5.452 1.00 0.00 C ATOM 334 CG1 VAL B 2 -2.903 -11.749 -6.251 1.00 0.00 C ATOM 335 CG2 VAL B 2 -2.057 -13.935 -5.423 1.00 0.00 C ATOM 0 H VAL B 2 -5.376 -11.740 -5.053 1.00 0.00 H new ATOM 0 HA VAL B 2 -3.989 -13.672 -3.541 1.00 0.00 H new ATOM 0 HB VAL B 2 -4.109 -13.493 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -2.536 -12.038 -7.236 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -3.784 -11.117 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -2.126 -11.198 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -1.712 -14.115 -6.441 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -1.258 -13.469 -4.846 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -2.333 -14.883 -4.961 1.00 0.00 H new ATOM 345 N ASN B 3 -2.147 -12.789 -2.236 1.00 0.00 N ATOM 346 CA ASN B 3 -1.083 -12.366 -1.313 1.00 0.00 C ATOM 347 C ASN B 3 -1.369 -11.066 -0.524 1.00 0.00 C ATOM 348 O ASN B 3 -0.500 -10.201 -0.388 1.00 0.00 O ATOM 349 CB ASN B 3 0.279 -12.410 -2.038 1.00 0.00 C ATOM 350 CG ASN B 3 0.700 -13.833 -2.367 1.00 0.00 C ATOM 351 OD1 ASN B 3 0.631 -14.722 -1.531 1.00 0.00 O ATOM 352 ND2 ASN B 3 1.155 -14.101 -3.569 1.00 0.00 N ATOM 0 H ASN B 3 -2.375 -13.778 -2.133 1.00 0.00 H new ATOM 0 HA ASN B 3 -1.047 -13.091 -0.500 1.00 0.00 H new ATOM 0 HB2 ASN B 3 0.220 -11.827 -2.957 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.039 -11.942 -1.412 1.00 0.00 H new ATOM 0 HD21 ASN B 3 1.450 -15.049 -3.803 1.00 0.00 H new ATOM 0 HD22 ASN B 3 1.214 -13.361 -4.269 1.00 0.00 H new ATOM 359 N GLN B 4 -2.582 -10.942 0.029 1.00 0.00 N ATOM 360 CA GLN B 4 -2.940 -9.914 1.019 1.00 0.00 C ATOM 361 C GLN B 4 -3.745 -10.510 2.190 1.00 0.00 C ATOM 362 O GLN B 4 -4.468 -11.497 2.036 1.00 0.00 O ATOM 363 CB GLN B 4 -3.636 -8.720 0.340 1.00 0.00 C ATOM 364 CG GLN B 4 -5.055 -9.024 -0.187 1.00 0.00 C ATOM 365 CD GLN B 4 -5.334 -8.550 -1.616 1.00 0.00 C ATOM 366 OE1 GLN B 4 -6.413 -8.065 -1.932 1.00 0.00 O ATOM 367 NE2 GLN B 4 -4.437 -8.696 -2.568 1.00 0.00 N ATOM 0 H GLN B 4 -3.357 -11.563 -0.202 1.00 0.00 H new ATOM 0 HA GLN B 4 -2.023 -9.525 1.463 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -3.695 -7.897 1.052 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -3.018 -8.380 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -5.220 -10.100 -0.139 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -5.781 -8.560 0.481 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -3.524 -9.096 -2.351 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -4.655 -8.409 -3.522 1.00 0.00 H new ATOM 376 N HIS B 5 -3.595 -9.921 3.378 1.00 0.00 N ATOM 377 CA HIS B 5 -3.929 -10.551 4.666 1.00 0.00 C ATOM 378 C HIS B 5 -5.344 -10.240 5.191 1.00 0.00 C ATOM 379 O HIS B 5 -5.561 -10.177 6.404 1.00 0.00 O ATOM 380 CB HIS B 5 -2.819 -10.243 5.689 1.00 0.00 C ATOM 381 CG HIS B 5 -1.422 -10.535 5.185 1.00 0.00 C ATOM 382 ND1 HIS B 5 -0.666 -9.698 4.355 1.00 0.00 N ATOM 383 CD2 HIS B 5 -0.714 -11.679 5.415 1.00 0.00 C ATOM 384 CE1 HIS B 5 0.479 -10.357 4.109 1.00 0.00 C ATOM 385 NE2 HIS B 5 0.477 -11.547 4.735 1.00 0.00 N ATOM 0 H HIS B 5 -3.231 -8.974 3.478 1.00 0.00 H new ATOM 0 HA HIS B 5 -3.967 -11.627 4.498 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -2.880 -9.192 5.972 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -2.998 -10.827 6.592 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -1.026 -12.522 6.013 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.286 -9.984 3.496 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.229 -12.235 4.711 1.00 0.00 H new ATOM 393 N LEU B 6 -6.314 -10.023 4.295 1.00 0.00 N ATOM 394 CA LEU B 6 -7.720 -9.783 4.654 1.00 0.00 C ATOM 395 C LEU B 6 -8.289 -11.022 5.378 1.00 0.00 C ATOM 396 O LEU B 6 -8.132 -12.150 4.908 1.00 0.00 O ATOM 397 CB LEU B 6 -8.496 -9.372 3.379 1.00 0.00 C ATOM 398 CG LEU B 6 -9.841 -8.629 3.542 1.00 0.00 C ATOM 399 CD1 LEU B 6 -11.004 -9.516 3.980 1.00 0.00 C ATOM 400 CD2 LEU B 6 -9.751 -7.431 4.489 1.00 0.00 C ATOM 0 H LEU B 6 -6.145 -10.009 3.289 1.00 0.00 H new ATOM 0 HA LEU B 6 -7.821 -8.958 5.359 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -7.839 -8.741 2.780 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -8.685 -10.276 2.800 1.00 0.00 H new ATOM 0 HG LEU B 6 -10.052 -8.277 2.532 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -11.908 -8.913 4.069 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -11.163 -10.300 3.240 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -10.773 -9.969 4.944 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -10.727 -6.951 4.562 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -9.439 -7.771 5.477 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -9.023 -6.717 4.104 1.00 0.00 H new ATOM 412 N CYS B 7 -8.888 -10.818 6.554 1.00 0.00 N ATOM 413 CA CYS B 7 -9.102 -11.863 7.563 1.00 0.00 C ATOM 414 C CYS B 7 -10.541 -11.858 8.130 1.00 0.00 C ATOM 415 O CYS B 7 -11.237 -10.838 8.083 1.00 0.00 O ATOM 416 CB CYS B 7 -8.012 -11.674 8.635 1.00 0.00 C ATOM 417 SG CYS B 7 -7.906 -12.929 9.938 1.00 0.00 S ATOM 0 H CYS B 7 -9.245 -9.906 6.838 1.00 0.00 H new ATOM 0 HA CYS B 7 -9.011 -12.854 7.119 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -7.047 -11.628 8.131 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -8.170 -10.706 9.110 1.00 0.00 H new ATOM 422 N GLY B 8 -10.996 -12.999 8.663 1.00 0.00 N ATOM 423 CA GLY B 8 -12.375 -13.211 9.138 1.00 0.00 C ATOM 424 C GLY B 8 -13.401 -13.398 8.009 1.00 0.00 C ATOM 425 O GLY B 8 -13.041 -13.516 6.833 1.00 0.00 O ATOM 0 H GLY B 8 -10.404 -13.821 8.780 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -12.396 -14.089 9.783 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -12.673 -12.359 9.749 1.00 0.00 H new ATOM 429 N SER B 9 -14.695 -13.418 8.352 1.00 0.00 N ATOM 430 CA SER B 9 -15.772 -13.761 7.399 1.00 0.00 C ATOM 431 C SER B 9 -15.951 -12.783 6.237 1.00 0.00 C ATOM 432 O SER B 9 -16.592 -13.140 5.253 1.00 0.00 O ATOM 433 CB SER B 9 -17.115 -13.980 8.101 1.00 0.00 C ATOM 434 OG SER B 9 -17.665 -12.765 8.593 1.00 0.00 O ATOM 0 H SER B 9 -15.029 -13.199 9.290 1.00 0.00 H new ATOM 0 HA SER B 9 -15.430 -14.697 6.958 1.00 0.00 H new ATOM 0 HB2 SER B 9 -17.817 -14.440 7.405 1.00 0.00 H new ATOM 0 HB3 SER B 9 -16.982 -14.678 8.927 1.00 0.00 H new ATOM 0 HG SER B 9 -18.227 -12.356 7.902 1.00 0.00 H new ATOM 440 N HIS B 10 -15.335 -11.598 6.254 1.00 0.00 N ATOM 441 CA HIS B 10 -15.288 -10.745 5.060 1.00 0.00 C ATOM 442 C HIS B 10 -14.553 -11.406 3.884 1.00 0.00 C ATOM 443 O HIS B 10 -14.927 -11.146 2.742 1.00 0.00 O ATOM 444 CB HIS B 10 -14.735 -9.358 5.411 1.00 0.00 C ATOM 445 CG HIS B 10 -15.827 -8.457 5.936 1.00 0.00 C ATOM 446 ND1 HIS B 10 -16.623 -7.624 5.142 1.00 0.00 N ATOM 447 CD2 HIS B 10 -16.319 -8.450 7.209 1.00 0.00 C ATOM 448 CE1 HIS B 10 -17.567 -7.124 5.959 1.00 0.00 C ATOM 449 NE2 HIS B 10 -17.405 -7.601 7.205 1.00 0.00 N ATOM 0 H HIS B 10 -14.866 -11.209 7.072 1.00 0.00 H new ATOM 0 HA HIS B 10 -16.311 -10.609 4.709 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -13.948 -9.455 6.159 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -14.282 -8.909 4.527 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -15.933 -9.001 8.054 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -18.344 -6.437 5.657 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -17.987 -7.373 8.011 1.00 0.00 H new ATOM 457 N LEU B 11 -13.603 -12.327 4.121 1.00 0.00 N ATOM 458 CA LEU B 11 -13.037 -13.161 3.050 1.00 0.00 C ATOM 459 C LEU B 11 -13.883 -14.413 2.727 1.00 0.00 C ATOM 460 O LEU B 11 -13.803 -14.906 1.607 1.00 0.00 O ATOM 461 CB LEU B 11 -11.549 -13.464 3.322 1.00 0.00 C ATOM 462 CG LEU B 11 -10.782 -14.082 2.126 1.00 0.00 C ATOM 463 CD1 LEU B 11 -10.952 -13.319 0.806 1.00 0.00 C ATOM 464 CD2 LEU B 11 -9.280 -14.095 2.414 1.00 0.00 C ATOM 0 H LEU B 11 -13.212 -12.512 5.045 1.00 0.00 H new ATOM 0 HA LEU B 11 -13.080 -12.579 2.129 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -11.052 -12.539 3.615 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.481 -14.145 4.170 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.205 -15.080 2.014 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -10.383 -13.818 0.021 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -12.007 -13.297 0.532 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.587 -12.299 0.926 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.751 -14.531 1.567 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.931 -13.075 2.573 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.086 -14.688 3.308 1.00 0.00 H new ATOM 476 N VAL B 12 -14.760 -14.885 3.627 1.00 0.00 N ATOM 477 CA VAL B 12 -15.822 -15.864 3.281 1.00 0.00 C ATOM 478 C VAL B 12 -16.844 -15.224 2.337 1.00 0.00 C ATOM 479 O VAL B 12 -17.204 -15.795 1.313 1.00 0.00 O ATOM 480 CB VAL B 12 -16.547 -16.413 4.532 1.00 0.00 C ATOM 481 CG1 VAL B 12 -17.773 -17.279 4.204 1.00 0.00 C ATOM 482 CG2 VAL B 12 -15.605 -17.252 5.393 1.00 0.00 C ATOM 0 H VAL B 12 -14.760 -14.607 4.608 1.00 0.00 H new ATOM 0 HA VAL B 12 -15.333 -16.703 2.787 1.00 0.00 H new ATOM 0 HB VAL B 12 -16.884 -15.526 5.069 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -18.230 -17.628 5.130 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -18.497 -16.688 3.643 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -17.464 -18.136 3.606 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -16.143 -17.624 6.265 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -15.232 -18.094 4.810 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -14.766 -16.637 5.720 1.00 0.00 H new ATOM 492 N GLU B 13 -17.291 -14.011 2.655 1.00 0.00 N ATOM 493 CA GLU B 13 -18.260 -13.249 1.864 1.00 0.00 C ATOM 494 C GLU B 13 -17.664 -12.816 0.512 1.00 0.00 C ATOM 495 O GLU B 13 -18.327 -12.937 -0.520 1.00 0.00 O ATOM 496 CB GLU B 13 -18.750 -12.050 2.696 1.00 0.00 C ATOM 497 CG GLU B 13 -19.576 -12.491 3.922 1.00 0.00 C ATOM 498 CD GLU B 13 -19.698 -11.382 4.990 1.00 0.00 C ATOM 499 OE1 GLU B 13 -20.051 -10.229 4.638 1.00 0.00 O ATOM 500 OE2 GLU B 13 -19.487 -11.667 6.195 1.00 0.00 O1- ATOM 0 H GLU B 13 -16.982 -13.516 3.492 1.00 0.00 H new ATOM 0 HA GLU B 13 -19.116 -13.881 1.627 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -17.892 -11.466 3.029 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -19.356 -11.397 2.068 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.573 -12.786 3.596 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -19.113 -13.371 4.369 1.00 0.00 H new ATOM 507 N ALA B 14 -16.392 -12.396 0.483 1.00 0.00 N ATOM 508 CA ALA B 14 -15.668 -12.097 -0.754 1.00 0.00 C ATOM 509 C ALA B 14 -15.262 -13.348 -1.563 1.00 0.00 C ATOM 510 O ALA B 14 -15.087 -13.239 -2.771 1.00 0.00 O ATOM 511 CB ALA B 14 -14.454 -11.219 -0.431 1.00 0.00 C ATOM 0 H ALA B 14 -15.835 -12.254 1.325 1.00 0.00 H new ATOM 0 HA ALA B 14 -16.355 -11.556 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -13.913 -10.994 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.789 -10.289 0.029 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -13.796 -11.748 0.258 1.00 0.00 H new ATOM 517 N LEU B 15 -15.164 -14.544 -0.971 1.00 0.00 N ATOM 518 CA LEU B 15 -14.907 -15.804 -1.696 1.00 0.00 C ATOM 519 C LEU B 15 -16.004 -16.084 -2.747 1.00 0.00 C ATOM 520 O LEU B 15 -15.684 -16.452 -3.880 1.00 0.00 O ATOM 521 CB LEU B 15 -14.623 -16.905 -0.642 1.00 0.00 C ATOM 522 CG LEU B 15 -14.831 -18.408 -0.904 1.00 0.00 C ATOM 523 CD1 LEU B 15 -16.295 -18.822 -0.774 1.00 0.00 C ATOM 524 CD2 LEU B 15 -14.262 -18.912 -2.226 1.00 0.00 C ATOM 0 H LEU B 15 -15.261 -14.671 0.036 1.00 0.00 H new ATOM 0 HA LEU B 15 -14.015 -15.756 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -13.580 -16.786 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -15.230 -16.659 0.230 1.00 0.00 H new ATOM 0 HG LEU B 15 -14.251 -18.890 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -16.390 -19.890 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -16.647 -18.604 0.234 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -16.895 -18.268 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -14.456 -19.980 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.736 -18.381 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -13.187 -18.735 -2.250 1.00 0.00 H new ATOM 536 N TYR B 16 -17.269 -15.752 -2.461 1.00 0.00 N ATOM 537 CA TYR B 16 -18.368 -15.770 -3.446 1.00 0.00 C ATOM 538 C TYR B 16 -18.257 -14.705 -4.557 1.00 0.00 C ATOM 539 O TYR B 16 -18.939 -14.816 -5.577 1.00 0.00 O ATOM 540 CB TYR B 16 -19.718 -15.682 -2.716 1.00 0.00 C ATOM 541 CG TYR B 16 -19.982 -16.855 -1.787 1.00 0.00 C ATOM 542 CD1 TYR B 16 -20.455 -18.074 -2.310 1.00 0.00 C ATOM 543 CD2 TYR B 16 -19.714 -16.743 -0.409 1.00 0.00 C ATOM 544 CE1 TYR B 16 -20.621 -19.191 -1.467 1.00 0.00 C ATOM 545 CE2 TYR B 16 -19.878 -17.856 0.438 1.00 0.00 C ATOM 546 CZ TYR B 16 -20.322 -19.087 -0.090 1.00 0.00 C ATOM 547 OH TYR B 16 -20.462 -20.164 0.731 1.00 0.00 O ATOM 0 H TYR B 16 -17.566 -15.459 -1.530 1.00 0.00 H new ATOM 0 HA TYR B 16 -18.291 -16.720 -3.974 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -19.751 -14.758 -2.139 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -20.518 -15.626 -3.454 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -20.691 -18.153 -3.361 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -19.382 -15.800 -0.000 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -20.977 -20.126 -1.873 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -19.664 -17.767 1.493 1.00 0.00 H new ATOM 0 HH TYR B 16 -20.212 -19.913 1.645 1.00 0.00 H new ATOM 557 N LEU B 17 -17.379 -13.707 -4.403 1.00 0.00 N ATOM 558 CA LEU B 17 -17.030 -12.706 -5.423 1.00 0.00 C ATOM 559 C LEU B 17 -15.694 -13.017 -6.141 1.00 0.00 C ATOM 560 O LEU B 17 -15.440 -12.474 -7.218 1.00 0.00 O ATOM 561 CB LEU B 17 -16.993 -11.307 -4.767 1.00 0.00 C ATOM 562 CG LEU B 17 -18.249 -10.910 -3.962 1.00 0.00 C ATOM 563 CD1 LEU B 17 -18.052 -9.528 -3.335 1.00 0.00 C ATOM 564 CD2 LEU B 17 -19.509 -10.864 -4.829 1.00 0.00 C ATOM 0 H LEU B 17 -16.871 -13.567 -3.530 1.00 0.00 H new ATOM 0 HA LEU B 17 -17.798 -12.734 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -16.129 -11.260 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -16.835 -10.564 -5.549 1.00 0.00 H new ATOM 0 HG LEU B 17 -18.383 -11.674 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -18.942 -9.255 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -17.190 -9.551 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -17.883 -8.792 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -20.363 -10.580 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -19.376 -10.132 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -19.687 -11.847 -5.265 1.00 0.00 H new ATOM 576 N VAL B 18 -14.845 -13.878 -5.561 1.00 0.00 N ATOM 577 CA VAL B 18 -13.469 -14.173 -6.012 1.00 0.00 C ATOM 578 C VAL B 18 -13.354 -15.536 -6.708 1.00 0.00 C ATOM 579 O VAL B 18 -12.894 -15.585 -7.850 1.00 0.00 O ATOM 580 CB VAL B 18 -12.478 -14.034 -4.835 1.00 0.00 C ATOM 581 CG1 VAL B 18 -11.074 -14.567 -5.144 1.00 0.00 C ATOM 582 CG2 VAL B 18 -12.318 -12.560 -4.435 1.00 0.00 C ATOM 0 H VAL B 18 -15.105 -14.411 -4.731 1.00 0.00 H new ATOM 0 HA VAL B 18 -13.204 -13.435 -6.769 1.00 0.00 H new ATOM 0 HB VAL B 18 -12.910 -14.631 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -10.435 -14.435 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -11.134 -15.626 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -10.654 -14.019 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -11.616 -12.482 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.939 -11.992 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -13.285 -12.158 -4.132 1.00 0.00 H new ATOM 592 N CYS B 19 -13.786 -16.635 -6.073 1.00 0.00 N ATOM 593 CA CYS B 19 -13.865 -17.943 -6.745 1.00 0.00 C ATOM 594 C CYS B 19 -15.063 -17.968 -7.722 1.00 0.00 C ATOM 595 O CYS B 19 -14.949 -18.436 -8.854 1.00 0.00 O ATOM 596 CB CYS B 19 -13.908 -19.079 -5.707 1.00 0.00 C ATOM 597 SG CYS B 19 -13.369 -20.688 -6.359 1.00 0.00 S ATOM 0 H CYS B 19 -14.086 -16.646 -5.098 1.00 0.00 H new ATOM 0 HA CYS B 19 -12.968 -18.104 -7.342 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -13.276 -18.810 -4.861 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -14.925 -19.173 -5.327 1.00 0.00 H new ATOM 602 N GLY B 20 -16.179 -17.345 -7.319 1.00 0.00 N ATOM 603 CA GLY B 20 -17.259 -16.849 -8.186 1.00 0.00 C ATOM 604 C GLY B 20 -18.222 -17.882 -8.794 1.00 0.00 C ATOM 605 O GLY B 20 -19.430 -17.806 -8.569 1.00 0.00 O ATOM 0 H GLY B 20 -16.363 -17.164 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -17.851 -16.138 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -16.802 -16.294 -9.005 1.00 0.00 H new ATOM 609 N GLU B 21 -17.719 -18.800 -9.620 1.00 0.00 N ATOM 610 CA GLU B 21 -18.515 -19.493 -10.652 1.00 0.00 C ATOM 611 C GLU B 21 -19.428 -20.630 -10.142 1.00 0.00 C ATOM 612 O GLU B 21 -20.642 -20.602 -10.365 1.00 0.00 O ATOM 613 CB GLU B 21 -17.644 -19.971 -11.845 1.00 0.00 C ATOM 614 CG GLU B 21 -16.108 -19.837 -11.759 1.00 0.00 C ATOM 615 CD GLU B 21 -15.429 -20.842 -10.805 1.00 0.00 C ATOM 616 OE1 GLU B 21 -14.216 -21.114 -10.965 1.00 0.00 O ATOM 617 OE2 GLU B 21 -16.093 -21.404 -9.905 1.00 0.00 O1- ATOM 0 H GLU B 21 -16.742 -19.091 -9.597 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.200 -18.721 -11.003 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -17.872 -21.023 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -17.972 -19.425 -12.730 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -15.689 -19.963 -12.757 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -15.862 -18.826 -11.436 1.00 0.00 H new ATOM 624 N ARG B 22 -18.849 -21.653 -9.503 1.00 0.00 N ATOM 625 CA ARG B 22 -19.487 -22.958 -9.234 1.00 0.00 C ATOM 626 C ARG B 22 -20.615 -22.941 -8.192 1.00 0.00 C ATOM 627 O ARG B 22 -21.618 -23.633 -8.379 1.00 0.00 O ATOM 628 CB ARG B 22 -18.388 -23.944 -8.794 1.00 0.00 C ATOM 629 CG ARG B 22 -17.600 -24.531 -9.977 1.00 0.00 C ATOM 630 CD ARG B 22 -16.243 -25.085 -9.518 1.00 0.00 C ATOM 631 NE ARG B 22 -15.259 -24.002 -9.376 1.00 0.00 N ATOM 632 CZ ARG B 22 -13.991 -24.086 -9.030 1.00 0.00 C ATOM 633 NH1 ARG B 22 -13.443 -25.163 -8.553 1.00 0.00 N1+ ATOM 634 NH2 ARG B 22 -13.235 -23.046 -9.189 1.00 0.00 N ATOM 0 H ARG B 22 -17.895 -21.600 -9.146 1.00 0.00 H new ATOM 0 HA ARG B 22 -19.974 -23.260 -10.161 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -17.698 -23.434 -8.122 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -18.842 -24.757 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -18.181 -25.325 -10.446 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.445 -23.761 -10.733 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -16.360 -25.604 -8.566 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.882 -25.819 -10.239 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.604 -23.062 -9.571 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -14.002 -26.007 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.454 -25.164 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.625 -22.186 -9.575 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.250 -23.087 -8.928 1.00 0.00 H new ATOM 648 N GLY B 23 -20.442 -22.203 -7.092 1.00 0.00 N ATOM 649 CA GLY B 23 -21.146 -22.456 -5.824 1.00 0.00 C ATOM 650 C GLY B 23 -20.558 -23.694 -5.126 1.00 0.00 C ATOM 651 O GLY B 23 -20.603 -24.803 -5.664 1.00 0.00 O ATOM 0 H GLY B 23 -19.806 -21.407 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -21.059 -21.587 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -22.209 -22.607 -6.014 1.00 0.00 H new ATOM 655 N PHE B 24 -19.919 -23.494 -3.971 1.00 0.00 N ATOM 656 CA PHE B 24 -18.739 -24.289 -3.588 1.00 0.00 C ATOM 657 C PHE B 24 -18.953 -25.260 -2.415 1.00 0.00 C ATOM 658 O PHE B 24 -19.873 -25.104 -1.608 1.00 0.00 O ATOM 659 CB PHE B 24 -17.556 -23.347 -3.302 1.00 0.00 C ATOM 660 CG PHE B 24 -17.596 -22.025 -4.048 1.00 0.00 C ATOM 661 CD1 PHE B 24 -17.833 -20.839 -3.336 1.00 0.00 C ATOM 662 CD2 PHE B 24 -17.474 -21.987 -5.450 1.00 0.00 C ATOM 663 CE1 PHE B 24 -17.950 -19.623 -4.022 1.00 0.00 C ATOM 664 CE2 PHE B 24 -17.587 -20.764 -6.138 1.00 0.00 C ATOM 665 CZ PHE B 24 -17.847 -19.584 -5.421 1.00 0.00 C ATOM 0 H PHE B 24 -20.194 -22.792 -3.284 1.00 0.00 H new ATOM 0 HA PHE B 24 -18.527 -24.933 -4.441 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -17.524 -23.143 -2.232 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -16.630 -23.863 -3.556 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -17.925 -20.864 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -17.293 -22.899 -5.999 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -18.121 -18.710 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.474 -20.733 -7.212 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.967 -18.648 -5.946 1.00 0.00 H new ATOM 675 N PHE B 25 -18.056 -26.246 -2.301 1.00 0.00 N ATOM 676 CA PHE B 25 -18.043 -27.247 -1.226 1.00 0.00 C ATOM 677 C PHE B 25 -17.619 -26.660 0.140 1.00 0.00 C ATOM 678 O PHE B 25 -18.369 -26.756 1.112 1.00 0.00 O ATOM 679 CB PHE B 25 -17.137 -28.403 -1.677 1.00 0.00 C ATOM 680 CG PHE B 25 -17.097 -29.590 -0.735 1.00 0.00 C ATOM 681 CD1 PHE B 25 -18.238 -30.402 -0.585 1.00 0.00 C ATOM 682 CD2 PHE B 25 -15.913 -29.914 -0.044 1.00 0.00 C ATOM 683 CE1 PHE B 25 -18.200 -31.527 0.258 1.00 0.00 C ATOM 684 CE2 PHE B 25 -15.873 -31.047 0.789 1.00 0.00 C ATOM 685 CZ PHE B 25 -17.016 -31.850 0.944 1.00 0.00 C ATOM 0 H PHE B 25 -17.298 -26.374 -2.972 1.00 0.00 H new ATOM 0 HA PHE B 25 -19.056 -27.613 -1.058 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -17.471 -28.746 -2.656 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -16.123 -28.023 -1.802 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.145 -30.160 -1.119 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -15.036 -29.293 -0.154 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -19.079 -32.142 0.378 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -14.962 -31.300 1.311 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.985 -32.715 1.590 1.00 0.00 H new ATOM 695 N TYR B 26 -16.439 -26.026 0.191 1.00 0.00 N ATOM 696 CA TYR B 26 -15.878 -25.197 1.274 1.00 0.00 C ATOM 697 C TYR B 26 -16.053 -25.767 2.706 1.00 0.00 C ATOM 698 O TYR B 26 -16.947 -25.372 3.458 1.00 0.00 O ATOM 699 CB TYR B 26 -16.360 -23.741 1.104 1.00 0.00 C ATOM 700 CG TYR B 26 -15.586 -22.645 1.833 1.00 0.00 C ATOM 701 CD1 TYR B 26 -14.294 -22.860 2.365 1.00 0.00 C ATOM 702 CD2 TYR B 26 -16.150 -21.355 1.909 1.00 0.00 C ATOM 703 CE1 TYR B 26 -13.588 -21.813 2.983 1.00 0.00 C ATOM 704 CE2 TYR B 26 -15.438 -20.299 2.511 1.00 0.00 C ATOM 705 CZ TYR B 26 -14.156 -20.526 3.053 1.00 0.00 C ATOM 706 OH TYR B 26 -13.467 -19.507 3.631 1.00 0.00 O ATOM 0 H TYR B 26 -15.792 -26.084 -0.595 1.00 0.00 H new ATOM 0 HA TYR B 26 -14.793 -25.216 1.168 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -16.350 -23.507 0.039 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -17.399 -23.692 1.431 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -13.844 -23.839 2.296 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -17.134 -21.175 1.503 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -12.610 -21.996 3.404 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -15.875 -19.313 2.558 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.721 -18.660 3.209 1.00 0.00 H new ATOM 716 N THR B 27 -15.184 -26.720 3.074 1.00 0.00 N ATOM 717 CA THR B 27 -15.315 -27.585 4.271 1.00 0.00 C ATOM 718 C THR B 27 -14.435 -27.313 5.532 1.00 0.00 C ATOM 719 O THR B 27 -14.694 -27.961 6.552 1.00 0.00 O ATOM 720 CB THR B 27 -15.183 -29.048 3.794 1.00 0.00 C ATOM 721 OG1 THR B 27 -15.738 -29.963 4.714 1.00 0.00 O ATOM 722 CG2 THR B 27 -13.731 -29.464 3.529 1.00 0.00 C ATOM 0 H THR B 27 -14.342 -26.922 2.534 1.00 0.00 H new ATOM 0 HA THR B 27 -16.293 -27.333 4.681 1.00 0.00 H new ATOM 0 HB THR B 27 -15.739 -29.081 2.857 1.00 0.00 H new ATOM 0 HG1 THR B 27 -15.594 -29.637 5.627 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.705 -30.502 3.197 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.305 -28.825 2.756 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.150 -29.362 4.446 1.00 0.00 H new ATOM 730 N PRO B 28 -13.407 -26.425 5.571 1.00 0.00 N ATOM 731 CA PRO B 28 -12.483 -26.295 6.714 1.00 0.00 C ATOM 732 C PRO B 28 -13.092 -25.481 7.878 1.00 0.00 C ATOM 733 O PRO B 28 -12.617 -24.390 8.214 1.00 0.00 O ATOM 734 CB PRO B 28 -11.225 -25.651 6.117 1.00 0.00 C ATOM 735 CG PRO B 28 -11.812 -24.690 5.087 1.00 0.00 C ATOM 736 CD PRO B 28 -13.006 -25.474 4.542 1.00 0.00 C ATOM 0 HA PRO B 28 -12.258 -27.257 7.174 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -10.637 -25.129 6.872 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -10.569 -26.390 5.657 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -12.119 -23.748 5.541 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -11.094 -24.448 4.303 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -13.829 -24.801 4.299 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -12.737 -25.994 3.622 1.00 0.00 H new ATOM 744 N LYS B 29 -14.179 -25.989 8.476 1.00 0.00 N ATOM 745 CA LYS B 29 -15.241 -25.183 9.115 1.00 0.00 C ATOM 746 C LYS B 29 -15.792 -24.147 8.107 1.00 0.00 C ATOM 747 O LYS B 29 -15.641 -24.316 6.895 1.00 0.00 O ATOM 748 CB LYS B 29 -14.773 -24.564 10.459 1.00 0.00 C ATOM 749 CG LYS B 29 -14.175 -25.544 11.491 1.00 0.00 C ATOM 750 CD LYS B 29 -12.647 -25.732 11.445 1.00 0.00 C ATOM 751 CE LYS B 29 -11.874 -24.428 11.716 1.00 0.00 C ATOM 752 NZ LYS B 29 -11.028 -24.023 10.563 1.00 0.00 N1+ ATOM 0 H LYS B 29 -14.353 -26.993 8.533 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.070 -25.837 9.387 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.028 -23.799 10.242 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -15.623 -24.060 10.918 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.448 -25.200 12.489 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.644 -26.518 11.351 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.356 -26.481 12.182 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -12.363 -26.120 10.467 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.581 -23.630 11.943 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.245 -24.557 12.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.745 -23.028 10.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.179 -24.622 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.567 -24.135 9.681 1.00 0.00 H new ATOM 766 N THR B 30 -16.405 -23.067 8.590 1.00 0.00 N ATOM 767 CA THR B 30 -16.574 -21.813 7.829 1.00 0.00 C ATOM 768 C THR B 30 -15.917 -20.674 8.611 1.00 0.00 C ATOM 769 O THR B 30 -16.053 -20.593 9.835 1.00 0.00 O ATOM 770 CB THR B 30 -18.048 -21.521 7.502 1.00 0.00 C ATOM 771 OG1 THR B 30 -18.597 -22.578 6.741 1.00 0.00 O ATOM 772 CG2 THR B 30 -18.218 -20.251 6.664 1.00 0.00 C ATOM 0 H THR B 30 -16.804 -23.030 9.528 1.00 0.00 H new ATOM 0 HA THR B 30 -16.081 -21.914 6.862 1.00 0.00 H new ATOM 0 HB THR B 30 -18.552 -21.402 8.461 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.536 -22.383 6.540 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.276 -20.089 6.460 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.819 -19.397 7.212 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.680 -20.361 5.723 1.00 0.00 H new ATOM 780 N ARG B 31 -15.141 -19.827 7.926 1.00 0.00 N ATOM 781 CA ARG B 31 -14.176 -18.903 8.547 1.00 0.00 C ATOM 782 C ARG B 31 -14.805 -17.632 9.145 1.00 0.00 C ATOM 783 O ARG B 31 -14.736 -16.552 8.562 1.00 0.00 O ATOM 784 CB ARG B 31 -13.035 -18.633 7.543 1.00 0.00 C ATOM 785 CG ARG B 31 -11.944 -19.716 7.618 1.00 0.00 C ATOM 786 CD ARG B 31 -10.802 -19.379 8.595 1.00 0.00 C ATOM 787 NE ARG B 31 -11.194 -19.424 10.016 1.00 0.00 N ATOM 788 CZ ARG B 31 -11.674 -18.441 10.755 1.00 0.00 C ATOM 789 NH1 ARG B 31 -11.785 -17.219 10.330 1.00 0.00 N1+ ATOM 790 NH2 ARG B 31 -12.123 -18.647 11.953 1.00 0.00 N ATOM 0 H ARG B 31 -15.164 -19.760 6.908 1.00 0.00 H new ATOM 0 HA ARG B 31 -13.757 -19.386 9.430 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -13.441 -18.595 6.532 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -12.594 -17.657 7.747 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.401 -20.659 7.919 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.526 -19.867 6.623 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -9.981 -20.078 8.433 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -10.423 -18.383 8.365 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.081 -20.323 10.484 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -11.494 -16.980 9.382 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.163 -16.498 10.944 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -12.111 -19.588 12.347 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.488 -17.869 12.502 1.00 0.00 H new ATOM 804 N ARG B 32 -15.366 -17.773 10.351 1.00 0.00 N ATOM 805 CA ARG B 32 -15.788 -16.690 11.266 1.00 0.00 C ATOM 806 C ARG B 32 -14.631 -15.755 11.638 1.00 0.00 C ATOM 807 O ARG B 32 -14.777 -14.536 11.401 1.00 0.00 O ATOM 808 CB ARG B 32 -16.479 -17.343 12.485 1.00 0.00 C ATOM 809 CG ARG B 32 -16.620 -16.532 13.790 1.00 0.00 C ATOM 810 CD ARG B 32 -17.123 -15.083 13.698 1.00 0.00 C ATOM 811 NE ARG B 32 -18.290 -14.915 12.811 1.00 0.00 N ATOM 812 CZ ARG B 32 -18.361 -14.122 11.759 1.00 0.00 C ATOM 813 NH1 ARG B 32 -17.337 -13.470 11.300 1.00 0.00 N1+ ATOM 814 NH2 ARG B 32 -19.477 -13.973 11.109 1.00 0.00 N ATOM 815 OXT ARG B 32 -13.596 -16.247 12.143 1.00 0.00 O1- ATOM 0 H ARG B 32 -15.551 -18.696 10.743 1.00 0.00 H new ATOM 0 HA ARG B 32 -16.502 -16.034 10.769 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -17.480 -17.642 12.174 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -15.933 -18.256 12.723 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -17.296 -17.077 14.448 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -15.645 -16.515 14.277 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -17.384 -14.734 14.697 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -16.312 -14.448 13.341 1.00 0.00 H new ATOM 0 HE ARG B 32 -19.121 -15.464 13.032 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -16.429 -13.560 11.756 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -17.440 -12.868 10.483 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.313 -14.473 11.411 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -19.516 -13.356 10.298 1.00 0.00 H new TER 829 ARG B 32