USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 683 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 4 GLN : amide:sc= -0.0825 K(o=2.6,f=-1.1) USER MOD Set 1.2: A 19 LYS NZ :NH3+ -167:sc= 0.574 (180deg=-0.514) USER MOD Set 1.3: A 93 TYR OH : rot -93:sc= 2.07 USER MOD Single : A 2 SER OG : rot -21:sc= 0.575 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.132 F(o=-1.3!,f=-0.13) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00228 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.3) USER MOD Single : A 35 THR OG1 : rot 136:sc= 1.28 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0718 USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= 0.378 (180deg=-0.0601) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0422 X(o=-0.042,f=-0.042) USER MOD Single : A 61 ASN : amide:sc= -2.09 K(o=-2.1,f=-12!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.022) USER MOD Single : A 80 GLN : amide:sc= -0.0348 K(o=-0.035,f=-0.61) USER MOD Single : A 82 MET CE :methyl -152:sc= -0.204 (180deg=-0.859) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 112:sc= -0.101 USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= 1.26 (180deg=0.885) USER MOD Single : A 91 SER OG : rot 130:sc= -0.969 USER MOD Single : A 92 ASN : amide:sc= -3.91 K(o=-3.9,f=-5!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 4.357 -1.370 -1.806 1.00 14.52 N ATOM 9 CA SER A 2 4.667 -2.458 -0.886 1.00 3.21 C ATOM 10 C SER A 2 4.220 -3.799 -1.460 1.00 33.03 C ATOM 11 O SER A 2 3.301 -3.861 -2.276 1.00 73.13 O ATOM 12 CB SER A 2 3.993 -2.218 0.466 1.00 34.53 C ATOM 13 OG SER A 2 2.779 -1.505 0.312 1.00 60.43 O ATOM 0 HA SER A 2 5.748 -2.485 -0.745 1.00 3.21 H new ATOM 0 HB2 SER A 2 3.798 -3.173 0.953 1.00 34.53 H new ATOM 0 HB3 SER A 2 4.666 -1.660 1.117 1.00 34.53 H new ATOM 0 HG SER A 2 2.783 -1.034 -0.547 1.00 60.43 H new ATOM 19 N ALA A 3 4.877 -4.869 -1.027 1.00 34.51 N ATOM 20 CA ALA A 3 4.546 -6.210 -1.495 1.00 61.31 C ATOM 21 C ALA A 3 3.105 -6.572 -1.151 1.00 32.05 C ATOM 22 O ALA A 3 2.821 -7.041 -0.049 1.00 31.43 O ATOM 23 CB ALA A 3 5.506 -7.229 -0.898 1.00 61.13 C ATOM 0 H ALA A 3 5.642 -4.834 -0.353 1.00 34.51 H new ATOM 0 HA ALA A 3 4.647 -6.225 -2.580 1.00 61.31 H new ATOM 0 HB1 ALA A 3 5.247 -8.226 -1.256 1.00 61.13 H new ATOM 0 HB2 ALA A 3 6.526 -6.989 -1.199 1.00 61.13 H new ATOM 0 HB3 ALA A 3 5.434 -7.204 0.189 1.00 61.13 H new ATOM 29 N GLN A 4 2.202 -6.351 -2.098 1.00 53.24 N ATOM 30 CA GLN A 4 0.790 -6.653 -1.894 1.00 12.24 C ATOM 31 C GLN A 4 0.454 -8.052 -2.396 1.00 64.24 C ATOM 32 O GLN A 4 0.840 -8.435 -3.500 1.00 23.34 O ATOM 33 CB GLN A 4 -0.084 -5.618 -2.605 1.00 61.42 C ATOM 34 CG GLN A 4 -1.178 -5.036 -1.725 1.00 62.12 C ATOM 35 CD GLN A 4 -1.837 -3.818 -2.342 1.00 63.11 C ATOM 36 OE1 GLN A 4 -1.358 -2.695 -2.191 1.00 30.02 O ATOM 37 NE2 GLN A 4 -2.943 -4.036 -3.044 1.00 50.24 N ATOM 0 H GLN A 4 2.422 -5.964 -3.016 1.00 53.24 H new ATOM 0 HA GLN A 4 0.588 -6.614 -0.824 1.00 12.24 H new ATOM 0 HB2 GLN A 4 0.549 -4.808 -2.967 1.00 61.42 H new ATOM 0 HB3 GLN A 4 -0.541 -6.080 -3.480 1.00 61.42 H new ATOM 0 HG2 GLN A 4 -1.934 -5.799 -1.540 1.00 62.12 H new ATOM 0 HG3 GLN A 4 -0.755 -4.765 -0.758 1.00 62.12 H new ATOM 0 HE21 GLN A 4 -3.305 -4.984 -3.144 1.00 50.24 H new ATOM 0 HE22 GLN A 4 -3.430 -3.255 -3.484 1.00 50.24 H new ATOM 46 N ASN A 5 -0.268 -8.813 -1.579 1.00 52.43 N ATOM 47 CA ASN A 5 -0.656 -10.171 -1.942 1.00 3.43 C ATOM 48 C ASN A 5 -1.993 -10.178 -2.676 1.00 1.01 C ATOM 49 O ASN A 5 -3.012 -9.752 -2.133 1.00 14.15 O ATOM 50 CB ASN A 5 -0.741 -11.050 -0.692 1.00 53.23 C ATOM 51 CG ASN A 5 -1.519 -10.385 0.428 1.00 24.32 C ATOM 52 OD1 ASN A 5 -0.843 -9.538 1.196 1.00 31.50 O flip ATOM 53 ND2 ASN A 5 -2.713 -10.632 0.602 1.00 62.41 N flip ATOM 0 H ASN A 5 -0.596 -8.512 -0.661 1.00 52.43 H new ATOM 0 HA ASN A 5 0.105 -10.574 -2.610 1.00 3.43 H new ATOM 0 HB2 ASN A 5 -1.216 -11.997 -0.948 1.00 53.23 H new ATOM 0 HB3 ASN A 5 0.266 -11.282 -0.344 1.00 53.23 H new ATOM 0 HD21 ASN A 5 -3.193 -11.290 -0.013 1.00 62.41 H new ATOM 0 HD22 ASN A 5 -3.222 -10.179 1.361 1.00 62.41 H new ATOM 60 N ILE A 6 -1.981 -10.666 -3.912 1.00 5.41 N ATOM 61 CA ILE A 6 -3.192 -10.730 -4.719 1.00 13.42 C ATOM 62 C ILE A 6 -3.422 -12.139 -5.254 1.00 73.11 C ATOM 63 O ILE A 6 -2.571 -12.702 -5.942 1.00 51.34 O ATOM 64 CB ILE A 6 -3.132 -9.747 -5.903 1.00 74.43 C ATOM 65 CG1 ILE A 6 -3.307 -8.309 -5.411 1.00 31.54 C ATOM 66 CG2 ILE A 6 -4.198 -10.093 -6.932 1.00 42.31 C ATOM 67 CD1 ILE A 6 -2.076 -7.749 -4.732 1.00 20.44 C ATOM 0 H ILE A 6 -1.146 -11.023 -4.376 1.00 5.41 H new ATOM 0 HA ILE A 6 -4.020 -10.451 -4.068 1.00 13.42 H new ATOM 0 HB ILE A 6 -2.154 -9.832 -6.377 1.00 74.43 H new ATOM 0 HG12 ILE A 6 -3.566 -7.673 -6.257 1.00 31.54 H new ATOM 0 HG13 ILE A 6 -4.145 -8.271 -4.715 1.00 31.54 H new ATOM 0 HG21 ILE A 6 -4.143 -9.390 -7.763 1.00 42.31 H new ATOM 0 HG22 ILE A 6 -4.032 -11.105 -7.302 1.00 42.31 H new ATOM 0 HG23 ILE A 6 -5.183 -10.033 -6.470 1.00 42.31 H new ATOM 0 HD11 ILE A 6 -2.272 -6.727 -4.409 1.00 20.44 H new ATOM 0 HD12 ILE A 6 -1.828 -8.362 -3.866 1.00 20.44 H new ATOM 0 HD13 ILE A 6 -1.240 -7.755 -5.432 1.00 20.44 H new ATOM 79 N THR A 7 -4.582 -12.706 -4.933 1.00 11.25 N ATOM 80 CA THR A 7 -4.926 -14.049 -5.381 1.00 4.15 C ATOM 81 C THR A 7 -5.769 -14.007 -6.650 1.00 41.13 C ATOM 82 O THR A 7 -6.651 -13.161 -6.793 1.00 32.43 O ATOM 83 CB THR A 7 -5.694 -14.824 -4.294 1.00 34.15 C ATOM 84 OG1 THR A 7 -6.766 -14.023 -3.785 1.00 41.30 O ATOM 85 CG2 THR A 7 -4.767 -15.222 -3.155 1.00 73.14 C ATOM 0 H THR A 7 -5.298 -12.255 -4.364 1.00 11.25 H new ATOM 0 HA THR A 7 -3.987 -14.562 -5.589 1.00 4.15 H new ATOM 0 HB THR A 7 -6.100 -15.730 -4.744 1.00 34.15 H new ATOM 0 HG1 THR A 7 -7.250 -14.524 -3.096 1.00 41.30 H new ATOM 0 HG21 THR A 7 -5.332 -15.768 -2.400 1.00 73.14 H new ATOM 0 HG22 THR A 7 -3.969 -15.857 -3.540 1.00 73.14 H new ATOM 0 HG23 THR A 7 -4.335 -14.327 -2.708 1.00 73.14 H new ATOM 93 N ALA A 8 -5.491 -14.925 -7.571 1.00 32.14 N ATOM 94 CA ALA A 8 -6.226 -14.993 -8.827 1.00 23.21 C ATOM 95 C ALA A 8 -6.319 -16.429 -9.331 1.00 72.32 C ATOM 96 O ALA A 8 -5.632 -17.319 -8.830 1.00 3.14 O ATOM 97 CB ALA A 8 -5.567 -14.107 -9.873 1.00 62.11 C ATOM 0 H ALA A 8 -4.762 -15.631 -7.470 1.00 32.14 H new ATOM 0 HA ALA A 8 -7.239 -14.632 -8.647 1.00 23.21 H new ATOM 0 HB1 ALA A 8 -6.127 -14.168 -10.806 1.00 62.11 H new ATOM 0 HB2 ALA A 8 -5.558 -13.075 -9.522 1.00 62.11 H new ATOM 0 HB3 ALA A 8 -4.544 -14.442 -10.041 1.00 62.11 H new ATOM 103 N ARG A 9 -7.175 -16.649 -10.324 1.00 21.23 N ATOM 104 CA ARG A 9 -7.360 -17.978 -10.893 1.00 45.12 C ATOM 105 C ARG A 9 -7.000 -17.988 -12.376 1.00 73.44 C ATOM 106 O ARG A 9 -7.172 -16.988 -13.074 1.00 2.52 O ATOM 107 CB ARG A 9 -8.805 -18.442 -10.704 1.00 52.44 C ATOM 108 CG ARG A 9 -8.986 -19.423 -9.559 1.00 23.13 C ATOM 109 CD ARG A 9 -9.827 -18.826 -8.441 1.00 20.25 C ATOM 110 NE ARG A 9 -11.173 -19.391 -8.409 1.00 0.50 N ATOM 111 CZ ARG A 9 -12.189 -18.832 -7.758 1.00 64.31 C ATOM 112 NH1 ARG A 9 -12.011 -17.702 -7.091 1.00 2.21 N ATOM 113 NH2 ARG A 9 -13.385 -19.406 -7.776 1.00 31.32 N ATOM 0 H ARG A 9 -7.751 -15.924 -10.751 1.00 21.23 H new ATOM 0 HA ARG A 9 -6.695 -18.666 -10.370 1.00 45.12 H new ATOM 0 HB2 ARG A 9 -9.437 -17.571 -10.528 1.00 52.44 H new ATOM 0 HB3 ARG A 9 -9.152 -18.906 -11.627 1.00 52.44 H new ATOM 0 HG2 ARG A 9 -9.462 -20.331 -9.929 1.00 23.13 H new ATOM 0 HG3 ARG A 9 -8.010 -19.711 -9.168 1.00 23.13 H new ATOM 0 HD2 ARG A 9 -9.336 -19.003 -7.484 1.00 20.25 H new ATOM 0 HD3 ARG A 9 -9.890 -17.746 -8.572 1.00 20.25 H new ATOM 0 HE ARG A 9 -11.343 -20.261 -8.913 1.00 0.50 H new ATOM 0 HH11 ARG A 9 -11.093 -17.258 -7.076 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -12.792 -17.276 -6.593 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -13.525 -20.276 -8.289 1.00 31.32 H new ATOM 0 HH22 ARG A 9 -14.164 -18.977 -7.277 1.00 31.32 H new ATOM 127 N ILE A 10 -6.501 -19.125 -12.851 1.00 72.24 N ATOM 128 CA ILE A 10 -6.119 -19.265 -14.251 1.00 62.43 C ATOM 129 C ILE A 10 -7.259 -18.851 -15.176 1.00 1.12 C ATOM 130 O ILE A 10 -8.350 -19.415 -15.125 1.00 13.20 O ATOM 131 CB ILE A 10 -5.707 -20.713 -14.580 1.00 1.43 C ATOM 132 CG1 ILE A 10 -4.492 -21.122 -13.743 1.00 42.45 C ATOM 133 CG2 ILE A 10 -5.407 -20.853 -16.065 1.00 5.45 C ATOM 134 CD1 ILE A 10 -4.408 -22.610 -13.489 1.00 54.01 C ATOM 0 H ILE A 10 -6.352 -19.962 -12.287 1.00 72.24 H new ATOM 0 HA ILE A 10 -5.265 -18.607 -14.412 1.00 62.43 H new ATOM 0 HB ILE A 10 -6.535 -21.377 -14.333 1.00 1.43 H new ATOM 0 HG12 ILE A 10 -3.584 -20.796 -14.251 1.00 42.45 H new ATOM 0 HG13 ILE A 10 -4.527 -20.600 -12.787 1.00 42.45 H new ATOM 0 HG21 ILE A 10 -5.117 -21.881 -16.282 1.00 5.45 H new ATOM 0 HG22 ILE A 10 -6.296 -20.597 -16.642 1.00 5.45 H new ATOM 0 HG23 ILE A 10 -4.592 -20.181 -16.337 1.00 5.45 H new ATOM 0 HD11 ILE A 10 -3.523 -22.828 -12.890 1.00 54.01 H new ATOM 0 HD12 ILE A 10 -5.299 -22.938 -12.953 1.00 54.01 H new ATOM 0 HD13 ILE A 10 -4.341 -23.138 -14.440 1.00 54.01 H new ATOM 146 N GLY A 11 -6.995 -17.861 -16.025 1.00 31.44 N ATOM 147 CA GLY A 11 -8.006 -17.388 -16.951 1.00 31.50 C ATOM 148 C GLY A 11 -8.870 -16.294 -16.357 1.00 10.21 C ATOM 149 O GLY A 11 -9.865 -15.887 -16.956 1.00 13.52 O ATOM 0 H GLY A 11 -6.098 -17.379 -16.087 1.00 31.44 H new ATOM 0 HA2 GLY A 11 -7.522 -17.014 -17.853 1.00 31.50 H new ATOM 0 HA3 GLY A 11 -8.638 -18.223 -17.251 1.00 31.50 H new ATOM 153 N GLU A 12 -8.489 -15.817 -15.176 1.00 52.21 N ATOM 154 CA GLU A 12 -9.238 -14.763 -14.501 1.00 73.55 C ATOM 155 C GLU A 12 -8.548 -13.413 -14.665 1.00 21.12 C ATOM 156 O GLU A 12 -7.323 -13.303 -14.607 1.00 10.32 O ATOM 157 CB GLU A 12 -9.396 -15.092 -13.015 1.00 1.23 C ATOM 158 CG GLU A 12 -10.133 -16.394 -12.753 1.00 52.44 C ATOM 159 CD GLU A 12 -11.331 -16.579 -13.665 1.00 52.03 C ATOM 160 OE1 GLU A 12 -12.160 -15.647 -13.751 1.00 63.33 O ATOM 161 OE2 GLU A 12 -11.441 -17.653 -14.291 1.00 33.33 O ATOM 0 H GLU A 12 -7.667 -16.143 -14.667 1.00 52.21 H new ATOM 0 HA GLU A 12 -10.225 -14.703 -14.960 1.00 73.55 H new ATOM 0 HB2 GLU A 12 -8.408 -15.145 -12.557 1.00 1.23 H new ATOM 0 HB3 GLU A 12 -9.931 -14.277 -12.526 1.00 1.23 H new ATOM 0 HG2 GLU A 12 -9.446 -17.230 -12.887 1.00 52.44 H new ATOM 0 HG3 GLU A 12 -10.464 -16.417 -11.715 1.00 52.44 H new ATOM 168 N PRO A 13 -9.350 -12.359 -14.875 1.00 61.01 N ATOM 169 CA PRO A 13 -8.838 -10.997 -15.052 1.00 54.03 C ATOM 170 C PRO A 13 -8.260 -10.423 -13.763 1.00 71.13 C ATOM 171 O PRO A 13 -8.769 -10.684 -12.672 1.00 2.11 O ATOM 172 CB PRO A 13 -10.077 -10.206 -15.481 1.00 44.33 C ATOM 173 CG PRO A 13 -11.227 -10.969 -14.922 1.00 33.31 C ATOM 174 CD PRO A 13 -10.820 -12.417 -14.957 1.00 30.34 C ATOM 0 HA PRO A 13 -8.020 -10.959 -15.772 1.00 54.03 H new ATOM 0 HB2 PRO A 13 -10.051 -9.188 -15.092 1.00 44.33 H new ATOM 0 HB3 PRO A 13 -10.142 -10.131 -16.566 1.00 44.33 H new ATOM 0 HG2 PRO A 13 -11.448 -10.650 -13.903 1.00 33.31 H new ATOM 0 HG3 PRO A 13 -12.129 -10.803 -15.511 1.00 33.31 H new ATOM 0 HD2 PRO A 13 -11.247 -12.975 -14.124 1.00 30.34 H new ATOM 0 HD3 PRO A 13 -11.153 -12.906 -15.872 1.00 30.34 H new ATOM 182 N LEU A 14 -7.196 -9.640 -13.895 1.00 62.11 N ATOM 183 CA LEU A 14 -6.548 -9.028 -12.740 1.00 11.10 C ATOM 184 C LEU A 14 -6.035 -7.632 -13.079 1.00 44.24 C ATOM 185 O LEU A 14 -5.545 -7.391 -14.183 1.00 32.10 O ATOM 186 CB LEU A 14 -5.392 -9.905 -12.255 1.00 45.20 C ATOM 187 CG LEU A 14 -4.788 -9.530 -10.901 1.00 1.14 C ATOM 188 CD1 LEU A 14 -5.762 -9.844 -9.776 1.00 51.21 C ATOM 189 CD2 LEU A 14 -3.470 -10.258 -10.685 1.00 2.21 C ATOM 0 H LEU A 14 -6.763 -9.413 -14.790 1.00 62.11 H new ATOM 0 HA LEU A 14 -7.288 -8.939 -11.944 1.00 11.10 H new ATOM 0 HB2 LEU A 14 -5.742 -10.936 -12.201 1.00 45.20 H new ATOM 0 HB3 LEU A 14 -4.601 -9.876 -13.004 1.00 45.20 H new ATOM 0 HG LEU A 14 -4.593 -8.458 -10.897 1.00 1.14 H new ATOM 0 HD11 LEU A 14 -5.315 -9.570 -8.820 1.00 51.21 H new ATOM 0 HD12 LEU A 14 -6.681 -9.277 -9.922 1.00 51.21 H new ATOM 0 HD13 LEU A 14 -5.989 -10.910 -9.778 1.00 51.21 H new ATOM 0 HD21 LEU A 14 -3.055 -9.979 -9.717 1.00 2.21 H new ATOM 0 HD22 LEU A 14 -3.640 -11.334 -10.710 1.00 2.21 H new ATOM 0 HD23 LEU A 14 -2.769 -9.983 -11.473 1.00 2.21 H new ATOM 201 N VAL A 15 -6.150 -6.716 -12.123 1.00 24.34 N ATOM 202 CA VAL A 15 -5.694 -5.345 -12.319 1.00 34.03 C ATOM 203 C VAL A 15 -4.652 -4.958 -11.276 1.00 14.34 C ATOM 204 O VAL A 15 -4.715 -5.398 -10.126 1.00 44.14 O ATOM 205 CB VAL A 15 -6.868 -4.350 -12.252 1.00 3.44 C ATOM 206 CG1 VAL A 15 -6.397 -2.946 -12.601 1.00 50.43 C ATOM 207 CG2 VAL A 15 -7.992 -4.790 -13.177 1.00 42.02 C ATOM 0 H VAL A 15 -6.555 -6.898 -11.205 1.00 24.34 H new ATOM 0 HA VAL A 15 -5.244 -5.298 -13.311 1.00 34.03 H new ATOM 0 HB VAL A 15 -7.253 -4.336 -11.232 1.00 3.44 H new ATOM 0 HG11 VAL A 15 -7.239 -2.256 -12.549 1.00 50.43 H new ATOM 0 HG12 VAL A 15 -5.628 -2.634 -11.894 1.00 50.43 H new ATOM 0 HG13 VAL A 15 -5.986 -2.941 -13.610 1.00 50.43 H new ATOM 0 HG21 VAL A 15 -8.813 -4.076 -13.117 1.00 42.02 H new ATOM 0 HG22 VAL A 15 -7.624 -4.834 -14.202 1.00 42.02 H new ATOM 0 HG23 VAL A 15 -8.346 -5.776 -12.876 1.00 42.02 H new ATOM 217 N LEU A 16 -3.696 -4.130 -11.681 1.00 54.24 N ATOM 218 CA LEU A 16 -2.640 -3.681 -10.781 1.00 0.23 C ATOM 219 C LEU A 16 -2.470 -2.166 -10.853 1.00 72.23 C ATOM 220 O LEU A 16 -2.688 -1.555 -11.900 1.00 35.42 O ATOM 221 CB LEU A 16 -1.319 -4.371 -11.128 1.00 53.34 C ATOM 222 CG LEU A 16 -1.228 -5.858 -10.784 1.00 13.11 C ATOM 223 CD1 LEU A 16 0.150 -6.401 -11.124 1.00 1.23 C ATOM 224 CD2 LEU A 16 -1.545 -6.085 -9.313 1.00 33.40 C ATOM 0 H LEU A 16 -3.630 -3.756 -12.628 1.00 54.24 H new ATOM 0 HA LEU A 16 -2.926 -3.948 -9.764 1.00 0.23 H new ATOM 0 HB2 LEU A 16 -1.141 -4.254 -12.197 1.00 53.34 H new ATOM 0 HB3 LEU A 16 -0.513 -3.849 -10.612 1.00 53.34 H new ATOM 0 HG LEU A 16 -1.965 -6.395 -11.381 1.00 13.11 H new ATOM 0 HD11 LEU A 16 0.196 -7.461 -10.872 1.00 1.23 H new ATOM 0 HD12 LEU A 16 0.339 -6.273 -12.190 1.00 1.23 H new ATOM 0 HD13 LEU A 16 0.905 -5.860 -10.554 1.00 1.23 H new ATOM 0 HD21 LEU A 16 -1.476 -7.149 -9.086 1.00 33.40 H new ATOM 0 HD22 LEU A 16 -0.832 -5.535 -8.698 1.00 33.40 H new ATOM 0 HD23 LEU A 16 -2.555 -5.734 -9.100 1.00 33.40 H new ATOM 236 N LYS A 17 -2.077 -1.566 -9.735 1.00 32.12 N ATOM 237 CA LYS A 17 -1.874 -0.124 -9.670 1.00 54.02 C ATOM 238 C LYS A 17 -0.400 0.209 -9.469 1.00 23.11 C ATOM 239 O LYS A 17 0.355 -0.583 -8.902 1.00 55.24 O ATOM 240 CB LYS A 17 -2.703 0.478 -8.534 1.00 12.13 C ATOM 241 CG LYS A 17 -2.665 1.996 -8.491 1.00 54.35 C ATOM 242 CD LYS A 17 -3.857 2.563 -7.737 1.00 5.23 C ATOM 243 CE LYS A 17 -5.126 2.505 -8.573 1.00 25.33 C ATOM 244 NZ LYS A 17 -6.101 3.557 -8.174 1.00 43.23 N ATOM 0 H LYS A 17 -1.892 -2.057 -8.860 1.00 32.12 H new ATOM 0 HA LYS A 17 -2.200 0.306 -10.617 1.00 54.02 H new ATOM 0 HB2 LYS A 17 -3.738 0.152 -8.638 1.00 12.13 H new ATOM 0 HB3 LYS A 17 -2.340 0.087 -7.584 1.00 12.13 H new ATOM 0 HG2 LYS A 17 -1.742 2.324 -8.014 1.00 54.35 H new ATOM 0 HG3 LYS A 17 -2.656 2.390 -9.507 1.00 54.35 H new ATOM 0 HD2 LYS A 17 -4.003 2.004 -6.813 1.00 5.23 H new ATOM 0 HD3 LYS A 17 -3.653 3.596 -7.456 1.00 5.23 H new ATOM 0 HE2 LYS A 17 -4.873 2.625 -9.626 1.00 25.33 H new ATOM 0 HE3 LYS A 17 -5.587 1.523 -8.466 1.00 25.33 H new ATOM 0 HZ1 LYS A 17 -6.952 3.484 -8.767 1.00 43.23 H new ATOM 0 HZ2 LYS A 17 -6.362 3.427 -7.176 1.00 43.23 H new ATOM 0 HZ3 LYS A 17 -5.670 4.495 -8.300 1.00 43.23 H new ATOM 258 N CYS A 18 0.006 1.386 -9.935 1.00 32.50 N ATOM 259 CA CYS A 18 1.390 1.824 -9.806 1.00 2.21 C ATOM 260 C CYS A 18 1.522 2.897 -8.729 1.00 51.32 C ATOM 261 O CYS A 18 1.230 4.070 -8.966 1.00 21.15 O ATOM 262 CB CYS A 18 1.903 2.362 -11.143 1.00 43.01 C ATOM 263 SG CYS A 18 3.699 2.171 -11.382 1.00 70.11 S ATOM 0 H CYS A 18 -0.605 2.054 -10.406 1.00 32.50 H new ATOM 0 HA CYS A 18 1.992 0.964 -9.513 1.00 2.21 H new ATOM 0 HB2 CYS A 18 1.383 1.849 -11.952 1.00 43.01 H new ATOM 0 HB3 CYS A 18 1.648 3.419 -11.219 1.00 43.01 H new ATOM 268 N LYS A 19 1.964 2.488 -7.546 1.00 13.35 N ATOM 269 CA LYS A 19 2.137 3.413 -6.431 1.00 23.51 C ATOM 270 C LYS A 19 3.097 4.539 -6.802 1.00 71.13 C ATOM 271 O LYS A 19 4.257 4.295 -7.132 1.00 52.44 O ATOM 272 CB LYS A 19 2.660 2.668 -5.200 1.00 33.41 C ATOM 273 CG LYS A 19 1.582 2.347 -4.180 1.00 2.42 C ATOM 274 CD LYS A 19 0.672 1.231 -4.662 1.00 32.23 C ATOM 275 CE LYS A 19 -0.773 1.475 -4.257 1.00 34.30 C ATOM 276 NZ LYS A 19 -1.730 0.971 -5.281 1.00 2.21 N ATOM 0 H LYS A 19 2.210 1.521 -7.333 1.00 13.35 H new ATOM 0 HA LYS A 19 1.165 3.849 -6.199 1.00 23.51 H new ATOM 0 HB2 LYS A 19 3.133 1.740 -5.521 1.00 33.41 H new ATOM 0 HB3 LYS A 19 3.433 3.270 -4.722 1.00 33.41 H new ATOM 0 HG2 LYS A 19 2.047 2.057 -3.238 1.00 2.42 H new ATOM 0 HG3 LYS A 19 0.990 3.240 -3.982 1.00 2.42 H new ATOM 0 HD2 LYS A 19 0.738 1.150 -5.747 1.00 32.23 H new ATOM 0 HD3 LYS A 19 1.011 0.280 -4.250 1.00 32.23 H new ATOM 0 HE2 LYS A 19 -0.970 0.985 -3.304 1.00 34.30 H new ATOM 0 HE3 LYS A 19 -0.932 2.543 -4.106 1.00 34.30 H new ATOM 0 HZ1 LYS A 19 -2.680 1.345 -5.082 1.00 2.21 H new ATOM 0 HZ2 LYS A 19 -1.425 1.284 -6.225 1.00 2.21 H new ATOM 0 HZ3 LYS A 19 -1.754 -0.068 -5.252 1.00 2.21 H new ATOM 290 N GLY A 20 2.605 5.773 -6.744 1.00 64.04 N ATOM 291 CA GLY A 20 3.433 6.918 -7.077 1.00 31.52 C ATOM 292 C GLY A 20 2.816 7.786 -8.155 1.00 73.42 C ATOM 293 O GLY A 20 2.847 9.013 -8.067 1.00 12.02 O ATOM 0 H GLY A 20 1.648 6.000 -6.473 1.00 64.04 H new ATOM 0 HA2 GLY A 20 3.596 7.517 -6.181 1.00 31.52 H new ATOM 0 HA3 GLY A 20 4.411 6.571 -7.410 1.00 31.52 H new ATOM 434 N LEU A 29 6.851 6.058 -17.870 1.00 64.42 N ATOM 435 CA LEU A 29 6.927 5.021 -16.846 1.00 63.42 C ATOM 436 C LEU A 29 7.223 3.660 -17.471 1.00 13.13 C ATOM 437 O LEU A 29 6.915 3.423 -18.639 1.00 21.14 O ATOM 438 CB LEU A 29 5.619 4.959 -16.056 1.00 61.44 C ATOM 439 CG LEU A 29 4.345 5.263 -16.845 1.00 72.31 C ATOM 440 CD1 LEU A 29 4.237 4.352 -18.057 1.00 71.12 C ATOM 441 CD2 LEU A 29 3.119 5.116 -15.955 1.00 33.41 C ATOM 0 HA LEU A 29 7.742 5.274 -16.167 1.00 63.42 H new ATOM 0 HB2 LEU A 29 5.526 3.963 -15.623 1.00 61.44 H new ATOM 0 HB3 LEU A 29 5.685 5.662 -15.226 1.00 61.44 H new ATOM 0 HG LEU A 29 4.395 6.294 -17.195 1.00 72.31 H new ATOM 0 HD11 LEU A 29 3.324 4.583 -18.606 1.00 71.12 H new ATOM 0 HD12 LEU A 29 5.099 4.506 -18.706 1.00 71.12 H new ATOM 0 HD13 LEU A 29 4.210 3.313 -17.730 1.00 71.12 H new ATOM 0 HD21 LEU A 29 2.221 5.336 -16.533 1.00 33.41 H new ATOM 0 HD22 LEU A 29 3.065 4.096 -15.575 1.00 33.41 H new ATOM 0 HD23 LEU A 29 3.191 5.811 -15.118 1.00 33.41 H new ATOM 453 N GLU A 30 7.818 2.771 -16.683 1.00 64.41 N ATOM 454 CA GLU A 30 8.153 1.434 -17.159 1.00 63.53 C ATOM 455 C GLU A 30 7.465 0.366 -16.312 1.00 23.12 C ATOM 456 O GLU A 30 7.247 0.555 -15.115 1.00 63.21 O ATOM 457 CB GLU A 30 9.669 1.223 -17.133 1.00 34.40 C ATOM 458 CG GLU A 30 10.091 -0.199 -17.461 1.00 22.11 C ATOM 459 CD GLU A 30 11.582 -0.323 -17.704 1.00 21.22 C ATOM 460 OE1 GLU A 30 12.351 0.430 -17.070 1.00 13.04 O ATOM 461 OE2 GLU A 30 11.981 -1.172 -18.528 1.00 21.11 O ATOM 0 H GLU A 30 8.078 2.952 -15.713 1.00 64.41 H new ATOM 0 HA GLU A 30 7.799 1.343 -18.186 1.00 63.53 H new ATOM 0 HB2 GLU A 30 10.135 1.905 -17.845 1.00 34.40 H new ATOM 0 HB3 GLU A 30 10.047 1.487 -16.145 1.00 34.40 H new ATOM 0 HG2 GLU A 30 9.804 -0.857 -16.641 1.00 22.11 H new ATOM 0 HG3 GLU A 30 9.553 -0.539 -18.346 1.00 22.11 H new ATOM 468 N TRP A 31 7.127 -0.753 -16.943 1.00 35.13 N ATOM 469 CA TRP A 31 6.463 -1.850 -16.247 1.00 23.11 C ATOM 470 C TRP A 31 7.207 -3.163 -16.468 1.00 52.15 C ATOM 471 O TRP A 31 7.620 -3.474 -17.586 1.00 72.40 O ATOM 472 CB TRP A 31 5.017 -1.983 -16.724 1.00 54.44 C ATOM 473 CG TRP A 31 4.196 -0.751 -16.482 1.00 32.04 C ATOM 474 CD1 TRP A 31 4.392 0.484 -17.030 1.00 10.12 C ATOM 475 CD2 TRP A 31 3.053 -0.638 -15.628 1.00 54.31 C ATOM 476 NE1 TRP A 31 3.438 1.359 -16.567 1.00 42.45 N ATOM 477 CE2 TRP A 31 2.605 0.695 -15.707 1.00 54.30 C ATOM 478 CE3 TRP A 31 2.363 -1.532 -14.806 1.00 55.31 C ATOM 479 CZ2 TRP A 31 1.500 1.153 -14.994 1.00 50.11 C ATOM 480 CZ3 TRP A 31 1.266 -1.077 -14.098 1.00 4.04 C ATOM 481 CH2 TRP A 31 0.843 0.255 -14.197 1.00 13.23 C ATOM 0 H TRP A 31 7.301 -0.925 -17.933 1.00 35.13 H new ATOM 0 HA TRP A 31 6.467 -1.626 -15.180 1.00 23.11 H new ATOM 0 HB2 TRP A 31 5.013 -2.210 -17.790 1.00 54.44 H new ATOM 0 HB3 TRP A 31 4.551 -2.827 -16.216 1.00 54.44 H new ATOM 0 HD1 TRP A 31 5.180 0.736 -17.724 1.00 10.12 H new ATOM 0 HE1 TRP A 31 3.363 2.344 -16.823 1.00 42.45 H new ATOM 0 HE3 TRP A 31 2.681 -2.561 -14.725 1.00 55.31 H new ATOM 0 HZ2 TRP A 31 1.173 2.180 -15.067 1.00 50.11 H new ATOM 0 HZ3 TRP A 31 0.726 -1.760 -13.458 1.00 4.04 H new ATOM 0 HH2 TRP A 31 -0.019 0.580 -13.633 1.00 13.23 H new ATOM 492 N LYS A 32 7.374 -3.931 -15.397 1.00 70.44 N ATOM 493 CA LYS A 32 8.066 -5.213 -15.474 1.00 11.41 C ATOM 494 C LYS A 32 7.420 -6.236 -14.545 1.00 60.12 C ATOM 495 O LYS A 32 7.080 -5.926 -13.403 1.00 75.33 O ATOM 496 CB LYS A 32 9.542 -5.040 -15.112 1.00 0.44 C ATOM 497 CG LYS A 32 10.492 -5.411 -16.237 1.00 45.54 C ATOM 498 CD LYS A 32 11.920 -5.560 -15.737 1.00 54.32 C ATOM 499 CE LYS A 32 12.438 -6.974 -15.945 1.00 63.31 C ATOM 500 NZ LYS A 32 12.210 -7.830 -14.748 1.00 1.02 N ATOM 0 H LYS A 32 7.040 -3.688 -14.465 1.00 70.44 H new ATOM 0 HA LYS A 32 7.989 -5.579 -16.498 1.00 11.41 H new ATOM 0 HB2 LYS A 32 9.718 -4.003 -14.826 1.00 0.44 H new ATOM 0 HB3 LYS A 32 9.768 -5.654 -14.240 1.00 0.44 H new ATOM 0 HG2 LYS A 32 10.167 -6.345 -16.695 1.00 45.54 H new ATOM 0 HG3 LYS A 32 10.455 -4.646 -17.012 1.00 45.54 H new ATOM 0 HD2 LYS A 32 12.565 -4.854 -16.260 1.00 54.32 H new ATOM 0 HD3 LYS A 32 11.964 -5.307 -14.678 1.00 54.32 H new ATOM 0 HE2 LYS A 32 11.944 -7.418 -16.809 1.00 63.31 H new ATOM 0 HE3 LYS A 32 13.504 -6.941 -16.170 1.00 63.31 H new ATOM 0 HZ1 LYS A 32 12.577 -8.786 -14.930 1.00 1.02 H new ATOM 0 HZ2 LYS A 32 12.703 -7.420 -13.929 1.00 1.02 H new ATOM 0 HZ3 LYS A 32 11.191 -7.883 -14.548 1.00 1.02 H new ATOM 514 N LEU A 33 7.256 -7.457 -15.043 1.00 33.23 N ATOM 515 CA LEU A 33 6.652 -8.528 -14.257 1.00 62.40 C ATOM 516 C LEU A 33 7.413 -9.837 -14.444 1.00 44.33 C ATOM 517 O LEU A 33 7.821 -10.175 -15.554 1.00 3.43 O ATOM 518 CB LEU A 33 5.187 -8.716 -14.655 1.00 1.35 C ATOM 519 CG LEU A 33 4.474 -7.474 -15.193 1.00 33.42 C ATOM 520 CD1 LEU A 33 3.120 -7.848 -15.776 1.00 64.54 C ATOM 521 CD2 LEU A 33 4.314 -6.432 -14.095 1.00 25.42 C ATOM 0 H LEU A 33 7.532 -7.730 -15.986 1.00 33.23 H new ATOM 0 HA LEU A 33 6.703 -8.246 -13.205 1.00 62.40 H new ATOM 0 HB2 LEU A 33 5.134 -9.498 -15.413 1.00 1.35 H new ATOM 0 HB3 LEU A 33 4.638 -9.078 -13.785 1.00 1.35 H new ATOM 0 HG LEU A 33 5.084 -7.044 -15.988 1.00 33.42 H new ATOM 0 HD11 LEU A 33 2.627 -6.953 -16.154 1.00 64.54 H new ATOM 0 HD12 LEU A 33 3.259 -8.558 -16.592 1.00 64.54 H new ATOM 0 HD13 LEU A 33 2.503 -8.302 -15.001 1.00 64.54 H new ATOM 0 HD21 LEU A 33 3.805 -5.556 -14.496 1.00 25.42 H new ATOM 0 HD22 LEU A 33 3.726 -6.851 -13.279 1.00 25.42 H new ATOM 0 HD23 LEU A 33 5.297 -6.142 -13.723 1.00 25.42 H new ATOM 533 N ASN A 34 7.598 -10.570 -13.351 1.00 4.22 N ATOM 534 CA ASN A 34 8.308 -11.843 -13.395 1.00 3.44 C ATOM 535 C ASN A 34 7.362 -13.004 -13.107 1.00 1.31 C ATOM 536 O ASN A 34 6.665 -13.014 -12.093 1.00 74.24 O ATOM 537 CB ASN A 34 9.458 -11.844 -12.386 1.00 33.33 C ATOM 538 CG ASN A 34 10.359 -10.633 -12.533 1.00 24.44 C ATOM 539 OD1 ASN A 34 10.012 -9.531 -12.107 1.00 24.14 O ATOM 540 ND2 ASN A 34 11.523 -10.833 -13.140 1.00 12.42 N ATOM 0 H ASN A 34 7.266 -10.304 -12.424 1.00 4.22 H new ATOM 0 HA ASN A 34 8.714 -11.970 -14.399 1.00 3.44 H new ATOM 0 HB2 ASN A 34 9.051 -11.869 -11.375 1.00 33.33 H new ATOM 0 HB3 ASN A 34 10.049 -12.751 -12.514 1.00 33.33 H new ATOM 0 HD21 ASN A 34 12.171 -10.056 -13.269 1.00 12.42 H new ATOM 0 HD22 ASN A 34 11.769 -11.764 -13.477 1.00 12.42 H new ATOM 547 N THR A 35 7.344 -13.983 -14.006 1.00 42.45 N ATOM 548 CA THR A 35 6.484 -15.149 -13.851 1.00 1.45 C ATOM 549 C THR A 35 7.219 -16.429 -14.231 1.00 41.45 C ATOM 550 O THR A 35 8.383 -16.393 -14.628 1.00 62.43 O ATOM 551 CB THR A 35 5.210 -15.026 -14.708 1.00 65.23 C ATOM 552 OG1 THR A 35 5.476 -15.467 -16.044 1.00 60.33 O ATOM 553 CG2 THR A 35 4.710 -13.590 -14.732 1.00 1.12 C ATOM 0 H THR A 35 7.916 -13.991 -14.850 1.00 42.45 H new ATOM 0 HA THR A 35 6.201 -15.195 -12.799 1.00 1.45 H new ATOM 0 HB THR A 35 4.437 -15.654 -14.265 1.00 65.23 H new ATOM 0 HG1 THR A 35 4.737 -16.031 -16.356 1.00 60.33 H new ATOM 0 HG21 THR A 35 3.810 -13.528 -15.343 1.00 1.12 H new ATOM 0 HG22 THR A 35 4.482 -13.267 -13.716 1.00 1.12 H new ATOM 0 HG23 THR A 35 5.480 -12.944 -15.154 1.00 1.12 H new ATOM 561 N GLY A 36 6.530 -17.560 -14.111 1.00 33.21 N ATOM 562 CA GLY A 36 7.134 -18.836 -14.448 1.00 34.00 C ATOM 563 C GLY A 36 8.188 -19.261 -13.445 1.00 42.35 C ATOM 564 O GLY A 36 7.951 -19.237 -12.237 1.00 63.33 O ATOM 0 H GLY A 36 5.565 -17.615 -13.786 1.00 33.21 H new ATOM 0 HA2 GLY A 36 6.358 -19.599 -14.500 1.00 34.00 H new ATOM 0 HA3 GLY A 36 7.584 -18.771 -15.438 1.00 34.00 H new ATOM 568 N ARG A 37 9.356 -19.651 -13.947 1.00 40.10 N ATOM 569 CA ARG A 37 10.449 -20.086 -13.086 1.00 24.42 C ATOM 570 C ARG A 37 11.632 -19.128 -13.185 1.00 12.13 C ATOM 571 O ARG A 37 12.299 -18.842 -12.189 1.00 10.34 O ATOM 572 CB ARG A 37 10.893 -21.501 -13.465 1.00 10.14 C ATOM 573 CG ARG A 37 9.839 -22.562 -13.195 1.00 41.03 C ATOM 574 CD ARG A 37 9.468 -22.618 -11.722 1.00 11.31 C ATOM 575 NE ARG A 37 8.976 -23.936 -11.330 1.00 44.24 N ATOM 576 CZ ARG A 37 9.757 -25.003 -11.204 1.00 33.53 C ATOM 577 NH1 ARG A 37 11.059 -24.908 -11.436 1.00 13.11 N ATOM 578 NH2 ARG A 37 9.235 -26.169 -10.843 1.00 32.13 N ATOM 0 H ARG A 37 9.569 -19.674 -14.944 1.00 40.10 H new ATOM 0 HA ARG A 37 10.089 -20.088 -12.057 1.00 24.42 H new ATOM 0 HB2 ARG A 37 11.153 -21.520 -14.523 1.00 10.14 H new ATOM 0 HB3 ARG A 37 11.798 -21.750 -12.910 1.00 10.14 H new ATOM 0 HG2 ARG A 37 8.949 -22.351 -13.788 1.00 41.03 H new ATOM 0 HG3 ARG A 37 10.211 -23.535 -13.515 1.00 41.03 H new ATOM 0 HD2 ARG A 37 10.339 -22.363 -11.119 1.00 11.31 H new ATOM 0 HD3 ARG A 37 8.704 -21.869 -11.512 1.00 11.31 H new ATOM 0 HE ARG A 37 7.979 -24.043 -11.143 1.00 44.24 H new ATOM 0 HH11 ARG A 37 11.464 -24.013 -11.712 1.00 13.11 H new ATOM 0 HH12 ARG A 37 11.656 -25.729 -11.338 1.00 13.11 H new ATOM 0 HH21 ARG A 37 8.234 -26.246 -10.662 1.00 32.13 H new ATOM 0 HH22 ARG A 37 9.835 -26.988 -10.746 1.00 32.13 H new ATOM 592 N THR A 38 11.889 -18.633 -14.392 1.00 54.03 N ATOM 593 CA THR A 38 12.992 -17.708 -14.621 1.00 31.43 C ATOM 594 C THR A 38 13.012 -17.223 -16.065 1.00 75.04 C ATOM 595 O THR A 38 13.390 -16.085 -16.342 1.00 63.01 O ATOM 596 CB THR A 38 14.348 -18.359 -14.291 1.00 42.15 C ATOM 597 OG1 THR A 38 14.246 -19.784 -14.398 1.00 24.12 O ATOM 598 CG2 THR A 38 14.804 -17.982 -12.889 1.00 51.33 C ATOM 0 H THR A 38 11.347 -18.858 -15.227 1.00 54.03 H new ATOM 0 HA THR A 38 12.834 -16.858 -13.958 1.00 31.43 H new ATOM 0 HB THR A 38 15.085 -17.993 -15.006 1.00 42.15 H new ATOM 0 HG1 THR A 38 15.113 -20.191 -14.188 1.00 24.12 H new ATOM 0 HG21 THR A 38 15.764 -18.454 -12.679 1.00 51.33 H new ATOM 0 HG22 THR A 38 14.909 -16.899 -12.819 1.00 51.33 H new ATOM 0 HG23 THR A 38 14.066 -18.322 -12.163 1.00 51.33 H new ATOM 606 N GLU A 39 12.599 -18.093 -16.982 1.00 43.53 N ATOM 607 CA GLU A 39 12.571 -17.751 -18.400 1.00 53.42 C ATOM 608 C GLU A 39 11.163 -17.352 -18.835 1.00 52.31 C ATOM 609 O GLU A 39 10.752 -17.618 -19.964 1.00 51.21 O ATOM 610 CB GLU A 39 13.061 -18.930 -19.243 1.00 24.25 C ATOM 611 CG GLU A 39 14.450 -19.415 -18.860 1.00 74.33 C ATOM 612 CD GLU A 39 14.652 -20.890 -19.146 1.00 62.34 C ATOM 613 OE1 GLU A 39 14.309 -21.717 -18.276 1.00 51.53 O ATOM 614 OE2 GLU A 39 15.153 -21.217 -20.243 1.00 14.11 O ATOM 0 H GLU A 39 12.280 -19.038 -16.769 1.00 43.53 H new ATOM 0 HA GLU A 39 13.236 -16.902 -18.555 1.00 53.42 H new ATOM 0 HB2 GLU A 39 12.356 -19.756 -19.143 1.00 24.25 H new ATOM 0 HB3 GLU A 39 13.063 -18.639 -20.293 1.00 24.25 H new ATOM 0 HG2 GLU A 39 15.196 -18.837 -19.406 1.00 74.33 H new ATOM 0 HG3 GLU A 39 14.616 -19.228 -17.799 1.00 74.33 H new ATOM 621 N ALA A 40 10.429 -16.712 -17.930 1.00 41.20 N ATOM 622 CA ALA A 40 9.069 -16.275 -18.219 1.00 64.40 C ATOM 623 C ALA A 40 8.913 -14.777 -17.984 1.00 51.23 C ATOM 624 O ALA A 40 7.857 -14.204 -18.253 1.00 15.23 O ATOM 625 CB ALA A 40 8.074 -17.052 -17.370 1.00 13.52 C ATOM 0 H ALA A 40 10.754 -16.485 -16.990 1.00 41.20 H new ATOM 0 HA ALA A 40 8.865 -16.474 -19.271 1.00 64.40 H new ATOM 0 HB1 ALA A 40 7.062 -16.716 -17.596 1.00 13.52 H new ATOM 0 HB2 ALA A 40 8.160 -18.116 -17.591 1.00 13.52 H new ATOM 0 HB3 ALA A 40 8.286 -16.882 -16.314 1.00 13.52 H new ATOM 631 N TRP A 41 9.968 -14.148 -17.481 1.00 45.41 N ATOM 632 CA TRP A 41 9.947 -12.715 -17.210 1.00 14.24 C ATOM 633 C TRP A 41 9.634 -11.925 -18.476 1.00 31.12 C ATOM 634 O TRP A 41 10.238 -12.150 -19.525 1.00 3.41 O ATOM 635 CB TRP A 41 11.289 -12.265 -16.632 1.00 10.42 C ATOM 636 CG TRP A 41 11.787 -13.148 -15.527 1.00 51.34 C ATOM 637 CD1 TRP A 41 11.028 -13.869 -14.651 1.00 2.33 C ATOM 638 CD2 TRP A 41 13.154 -13.400 -15.182 1.00 72.23 C ATOM 639 NE1 TRP A 41 11.842 -14.556 -13.781 1.00 13.35 N ATOM 640 CE2 TRP A 41 13.149 -14.285 -14.086 1.00 71.32 C ATOM 641 CE3 TRP A 41 14.380 -12.967 -15.694 1.00 55.02 C ATOM 642 CZ2 TRP A 41 14.324 -14.742 -13.494 1.00 62.50 C ATOM 643 CZ3 TRP A 41 15.544 -13.421 -15.105 1.00 61.20 C ATOM 644 CH2 TRP A 41 15.510 -14.302 -14.015 1.00 15.31 C ATOM 0 H TRP A 41 10.849 -14.607 -17.252 1.00 45.41 H new ATOM 0 HA TRP A 41 9.161 -12.520 -16.480 1.00 14.24 H new ATOM 0 HB2 TRP A 41 12.031 -12.241 -17.430 1.00 10.42 H new ATOM 0 HB3 TRP A 41 11.192 -11.246 -16.257 1.00 10.42 H new ATOM 0 HD1 TRP A 41 9.948 -13.896 -14.642 1.00 2.33 H new ATOM 0 HE1 TRP A 41 11.524 -15.168 -13.030 1.00 13.35 H new ATOM 0 HE3 TRP A 41 14.417 -12.290 -16.535 1.00 55.02 H new ATOM 0 HZ2 TRP A 41 14.300 -15.420 -12.653 1.00 62.50 H new ATOM 0 HZ3 TRP A 41 16.497 -13.091 -15.491 1.00 61.20 H new ATOM 0 HH2 TRP A 41 16.438 -14.640 -13.578 1.00 15.31 H new ATOM 655 N LYS A 42 8.687 -11.000 -18.373 1.00 1.12 N ATOM 656 CA LYS A 42 8.294 -10.175 -19.509 1.00 31.24 C ATOM 657 C LYS A 42 8.308 -8.696 -19.138 1.00 55.25 C ATOM 658 O LYS A 42 8.146 -8.336 -17.972 1.00 4.04 O ATOM 659 CB LYS A 42 6.901 -10.576 -20.000 1.00 41.11 C ATOM 660 CG LYS A 42 6.641 -12.072 -19.935 1.00 10.30 C ATOM 661 CD LYS A 42 5.736 -12.429 -18.768 1.00 21.41 C ATOM 662 CE LYS A 42 4.339 -11.857 -18.951 1.00 34.22 C ATOM 663 NZ LYS A 42 3.295 -12.918 -18.914 1.00 22.43 N ATOM 0 H LYS A 42 8.176 -10.802 -17.513 1.00 1.12 H new ATOM 0 HA LYS A 42 9.015 -10.337 -20.310 1.00 31.24 H new ATOM 0 HB2 LYS A 42 6.151 -10.059 -19.402 1.00 41.11 H new ATOM 0 HB3 LYS A 42 6.776 -10.238 -21.029 1.00 41.11 H new ATOM 0 HG2 LYS A 42 6.183 -12.404 -20.867 1.00 10.30 H new ATOM 0 HG3 LYS A 42 7.588 -12.603 -19.838 1.00 10.30 H new ATOM 0 HD2 LYS A 42 5.677 -13.513 -18.671 1.00 21.41 H new ATOM 0 HD3 LYS A 42 6.168 -12.049 -17.842 1.00 21.41 H new ATOM 0 HE2 LYS A 42 4.141 -11.125 -18.168 1.00 34.22 H new ATOM 0 HE3 LYS A 42 4.285 -11.328 -19.902 1.00 34.22 H new ATOM 0 HZ1 LYS A 42 2.420 -12.530 -18.507 1.00 22.43 H new ATOM 0 HZ2 LYS A 42 3.108 -13.255 -19.880 1.00 22.43 H new ATOM 0 HZ3 LYS A 42 3.627 -13.711 -18.329 1.00 22.43 H new ATOM 677 N VAL A 43 8.499 -7.841 -20.138 1.00 60.31 N ATOM 678 CA VAL A 43 8.530 -6.401 -19.917 1.00 13.51 C ATOM 679 C VAL A 43 7.233 -5.745 -20.379 1.00 22.40 C ATOM 680 O VAL A 43 6.883 -5.800 -21.558 1.00 65.15 O ATOM 681 CB VAL A 43 9.715 -5.745 -20.653 1.00 73.44 C ATOM 682 CG1 VAL A 43 9.704 -4.238 -20.445 1.00 2.04 C ATOM 683 CG2 VAL A 43 11.030 -6.348 -20.185 1.00 42.05 C ATOM 0 H VAL A 43 8.635 -8.121 -21.109 1.00 60.31 H new ATOM 0 HA VAL A 43 8.649 -6.248 -18.844 1.00 13.51 H new ATOM 0 HB VAL A 43 9.612 -5.940 -21.720 1.00 73.44 H new ATOM 0 HG11 VAL A 43 10.548 -3.792 -20.972 1.00 2.04 H new ATOM 0 HG12 VAL A 43 8.774 -3.824 -20.833 1.00 2.04 H new ATOM 0 HG13 VAL A 43 9.783 -4.017 -19.381 1.00 2.04 H new ATOM 0 HG21 VAL A 43 11.856 -5.874 -20.714 1.00 42.05 H new ATOM 0 HG22 VAL A 43 11.144 -6.185 -19.113 1.00 42.05 H new ATOM 0 HG23 VAL A 43 11.033 -7.418 -20.391 1.00 42.05 H new ATOM 693 N LEU A 44 6.525 -5.125 -19.443 1.00 34.11 N ATOM 694 CA LEU A 44 5.265 -4.457 -19.753 1.00 51.23 C ATOM 695 C LEU A 44 5.500 -2.996 -20.122 1.00 33.00 C ATOM 696 O LEU A 44 6.390 -2.343 -19.577 1.00 4.00 O ATOM 697 CB LEU A 44 4.309 -4.547 -18.562 1.00 25.32 C ATOM 698 CG LEU A 44 3.241 -5.638 -18.639 1.00 41.32 C ATOM 699 CD1 LEU A 44 2.069 -5.177 -19.492 1.00 11.30 C ATOM 700 CD2 LEU A 44 3.832 -6.925 -19.194 1.00 61.33 C ATOM 0 H LEU A 44 6.801 -5.070 -18.463 1.00 34.11 H new ATOM 0 HA LEU A 44 4.816 -4.961 -20.609 1.00 51.23 H new ATOM 0 HB2 LEU A 44 4.899 -4.707 -17.660 1.00 25.32 H new ATOM 0 HB3 LEU A 44 3.809 -3.585 -18.449 1.00 25.32 H new ATOM 0 HG LEU A 44 2.876 -5.835 -17.631 1.00 41.32 H new ATOM 0 HD11 LEU A 44 1.318 -5.966 -19.536 1.00 11.30 H new ATOM 0 HD12 LEU A 44 1.629 -4.282 -19.053 1.00 11.30 H new ATOM 0 HD13 LEU A 44 2.419 -4.952 -20.500 1.00 11.30 H new ATOM 0 HD21 LEU A 44 3.057 -7.690 -19.242 1.00 61.33 H new ATOM 0 HD22 LEU A 44 4.225 -6.743 -20.195 1.00 61.33 H new ATOM 0 HD23 LEU A 44 4.638 -7.265 -18.544 1.00 61.33 H new ATOM 712 N SER A 45 4.694 -2.487 -21.048 1.00 74.30 N ATOM 713 CA SER A 45 4.813 -1.104 -21.491 1.00 5.35 C ATOM 714 C SER A 45 3.473 -0.382 -21.389 1.00 45.45 C ATOM 715 O SER A 45 2.414 -0.999 -21.279 1.00 61.10 O ATOM 716 CB SER A 45 5.329 -1.049 -22.931 1.00 13.12 C ATOM 717 OG SER A 45 5.316 -2.336 -23.525 1.00 14.40 O ATOM 0 H SER A 45 3.950 -3.013 -21.507 1.00 74.30 H new ATOM 0 HA SER A 45 5.526 -0.600 -20.839 1.00 5.35 H new ATOM 0 HB2 SER A 45 4.711 -0.368 -23.517 1.00 13.12 H new ATOM 0 HB3 SER A 45 6.343 -0.649 -22.943 1.00 13.12 H new ATOM 0 HG SER A 45 5.648 -2.275 -24.445 1.00 14.40 H new ATOM 723 N PRO A 46 3.519 0.959 -21.429 1.00 24.44 N ATOM 724 CA PRO A 46 2.318 1.794 -21.344 1.00 52.11 C ATOM 725 C PRO A 46 1.450 1.690 -22.593 1.00 65.25 C ATOM 726 O PRO A 46 0.369 2.273 -22.658 1.00 52.25 O ATOM 727 CB PRO A 46 2.881 3.210 -21.202 1.00 11.45 C ATOM 728 CG PRO A 46 4.231 3.147 -21.828 1.00 3.14 C ATOM 729 CD PRO A 46 4.748 1.760 -21.560 1.00 33.25 C ATOM 0 HA PRO A 46 1.670 1.493 -20.521 1.00 52.11 H new ATOM 0 HB2 PRO A 46 2.246 3.940 -21.704 1.00 11.45 H new ATOM 0 HB3 PRO A 46 2.944 3.508 -20.155 1.00 11.45 H new ATOM 0 HG2 PRO A 46 4.174 3.342 -22.899 1.00 3.14 H new ATOM 0 HG3 PRO A 46 4.894 3.900 -21.402 1.00 3.14 H new ATOM 0 HD2 PRO A 46 5.377 1.401 -22.375 1.00 33.25 H new ATOM 0 HD3 PRO A 46 5.350 1.724 -20.652 1.00 33.25 H new ATOM 737 N GLN A 47 1.931 0.942 -23.582 1.00 1.40 N ATOM 738 CA GLN A 47 1.197 0.763 -24.830 1.00 25.33 C ATOM 739 C GLN A 47 0.923 -0.714 -25.091 1.00 61.44 C ATOM 740 O GLN A 47 1.689 -1.386 -25.781 1.00 52.42 O ATOM 741 CB GLN A 47 1.982 1.363 -25.997 1.00 61.35 C ATOM 742 CG GLN A 47 1.109 2.100 -27.001 1.00 65.11 C ATOM 743 CD GLN A 47 0.115 1.186 -27.692 1.00 14.43 C ATOM 744 OE1 GLN A 47 0.485 0.375 -28.540 1.00 33.33 O ATOM 745 NE2 GLN A 47 -1.157 1.314 -27.330 1.00 4.43 N ATOM 0 H GLN A 47 2.824 0.451 -23.543 1.00 1.40 H new ATOM 0 HA GLN A 47 0.242 1.281 -24.740 1.00 25.33 H new ATOM 0 HB2 GLN A 47 2.731 2.051 -25.605 1.00 61.35 H new ATOM 0 HB3 GLN A 47 2.519 0.566 -26.511 1.00 61.35 H new ATOM 0 HG2 GLN A 47 0.569 2.898 -26.491 1.00 65.11 H new ATOM 0 HG3 GLN A 47 1.744 2.573 -27.750 1.00 65.11 H new ATOM 0 HE21 GLN A 47 -1.419 2.000 -26.622 1.00 4.43 H new ATOM 0 HE22 GLN A 47 -1.871 0.726 -27.760 1.00 4.43 H new ATOM 852 N ALA A 56 -1.306 -8.660 -21.773 1.00 10.25 N ATOM 853 CA ALA A 56 -2.115 -7.668 -21.074 1.00 51.02 C ATOM 854 C ALA A 56 -1.872 -6.270 -21.633 1.00 51.34 C ATOM 855 O ALA A 56 -0.998 -6.071 -22.477 1.00 61.41 O ATOM 856 CB ALA A 56 -1.819 -7.701 -19.583 1.00 21.00 C ATOM 0 HA ALA A 56 -3.165 -7.916 -21.230 1.00 51.02 H new ATOM 0 HB1 ALA A 56 -2.430 -6.955 -19.074 1.00 21.00 H new ATOM 0 HB2 ALA A 56 -2.050 -8.690 -19.188 1.00 21.00 H new ATOM 0 HB3 ALA A 56 -0.765 -7.481 -19.416 1.00 21.00 H new ATOM 862 N ARG A 57 -2.652 -5.304 -21.158 1.00 21.15 N ATOM 863 CA ARG A 57 -2.522 -3.925 -21.611 1.00 42.14 C ATOM 864 C ARG A 57 -2.415 -2.970 -20.426 1.00 34.24 C ATOM 865 O ARG A 57 -2.746 -3.327 -19.295 1.00 74.52 O ATOM 866 CB ARG A 57 -3.718 -3.538 -22.485 1.00 11.03 C ATOM 867 CG ARG A 57 -4.989 -4.303 -22.151 1.00 1.22 C ATOM 868 CD ARG A 57 -5.470 -3.995 -20.742 1.00 20.35 C ATOM 869 NE ARG A 57 -5.796 -2.582 -20.571 1.00 52.14 N ATOM 870 CZ ARG A 57 -6.850 -1.999 -21.133 1.00 2.30 C ATOM 871 NH1 ARG A 57 -7.673 -2.704 -21.896 1.00 11.40 N ATOM 872 NH2 ARG A 57 -7.081 -0.708 -20.931 1.00 12.02 N ATOM 0 H ARG A 57 -3.381 -5.452 -20.460 1.00 21.15 H new ATOM 0 HA ARG A 57 -1.609 -3.848 -22.201 1.00 42.14 H new ATOM 0 HB2 ARG A 57 -3.907 -2.470 -22.375 1.00 11.03 H new ATOM 0 HB3 ARG A 57 -3.464 -3.711 -23.531 1.00 11.03 H new ATOM 0 HG2 ARG A 57 -5.769 -4.045 -22.867 1.00 1.22 H new ATOM 0 HG3 ARG A 57 -4.807 -5.373 -22.249 1.00 1.22 H new ATOM 0 HD2 ARG A 57 -6.349 -4.599 -20.519 1.00 20.35 H new ATOM 0 HD3 ARG A 57 -4.699 -4.278 -20.026 1.00 20.35 H new ATOM 0 HE ARG A 57 -5.182 -2.012 -19.989 1.00 52.14 H new ATOM 0 HH11 ARG A 57 -7.498 -3.697 -22.053 1.00 11.40 H new ATOM 0 HH12 ARG A 57 -8.481 -2.254 -22.326 1.00 11.40 H new ATOM 0 HH21 ARG A 57 -6.450 -0.163 -20.344 1.00 12.02 H new ATOM 0 HH22 ARG A 57 -7.890 -0.261 -21.363 1.00 12.02 H new ATOM 886 N VAL A 58 -1.949 -1.754 -20.691 1.00 63.44 N ATOM 887 CA VAL A 58 -1.799 -0.748 -19.647 1.00 42.03 C ATOM 888 C VAL A 58 -2.854 0.346 -19.782 1.00 25.32 C ATOM 889 O VAL A 58 -3.060 0.895 -20.864 1.00 65.34 O ATOM 890 CB VAL A 58 -0.400 -0.104 -19.686 1.00 44.14 C ATOM 891 CG1 VAL A 58 -0.422 1.262 -19.017 1.00 70.23 C ATOM 892 CG2 VAL A 58 0.624 -1.014 -19.025 1.00 73.42 C ATOM 0 H VAL A 58 -1.669 -1.442 -21.621 1.00 63.44 H new ATOM 0 HA VAL A 58 -1.930 -1.259 -18.693 1.00 42.03 H new ATOM 0 HB VAL A 58 -0.111 0.033 -20.728 1.00 44.14 H new ATOM 0 HG11 VAL A 58 0.575 1.701 -19.054 1.00 70.23 H new ATOM 0 HG12 VAL A 58 -1.125 1.912 -19.539 1.00 70.23 H new ATOM 0 HG13 VAL A 58 -0.732 1.153 -17.978 1.00 70.23 H new ATOM 0 HG21 VAL A 58 1.606 -0.543 -19.062 1.00 73.42 H new ATOM 0 HG22 VAL A 58 0.342 -1.185 -17.986 1.00 73.42 H new ATOM 0 HG23 VAL A 58 0.658 -1.967 -19.553 1.00 73.42 H new ATOM 902 N LEU A 59 -3.517 0.657 -18.675 1.00 12.52 N ATOM 903 CA LEU A 59 -4.552 1.686 -18.667 1.00 42.22 C ATOM 904 C LEU A 59 -3.945 3.069 -18.874 1.00 0.42 C ATOM 905 O LEU A 59 -2.761 3.299 -18.623 1.00 50.51 O ATOM 906 CB LEU A 59 -5.326 1.649 -17.348 1.00 74.54 C ATOM 907 CG LEU A 59 -6.318 0.495 -17.185 1.00 0.14 C ATOM 908 CD1 LEU A 59 -6.833 0.433 -15.755 1.00 53.45 C ATOM 909 CD2 LEU A 59 -7.473 0.643 -18.165 1.00 24.04 C ATOM 0 H LEU A 59 -3.357 0.212 -17.771 1.00 12.52 H new ATOM 0 HA LEU A 59 -5.238 1.483 -19.489 1.00 42.22 H new ATOM 0 HB2 LEU A 59 -4.608 1.603 -16.529 1.00 74.54 H new ATOM 0 HB3 LEU A 59 -5.870 2.588 -17.242 1.00 74.54 H new ATOM 0 HG LEU A 59 -5.800 -0.439 -17.404 1.00 0.14 H new ATOM 0 HD11 LEU A 59 -7.537 -0.393 -15.657 1.00 53.45 H new ATOM 0 HD12 LEU A 59 -5.996 0.279 -15.073 1.00 53.45 H new ATOM 0 HD13 LEU A 59 -7.335 1.369 -15.508 1.00 53.45 H new ATOM 0 HD21 LEU A 59 -8.169 -0.186 -18.035 1.00 24.04 H new ATOM 0 HD22 LEU A 59 -7.991 1.584 -17.978 1.00 24.04 H new ATOM 0 HD23 LEU A 59 -7.088 0.637 -19.185 1.00 24.04 H new ATOM 921 N PRO A 60 -4.773 4.016 -19.340 1.00 11.23 N ATOM 922 CA PRO A 60 -4.341 5.395 -19.588 1.00 24.01 C ATOM 923 C PRO A 60 -4.045 6.150 -18.298 1.00 13.43 C ATOM 924 O PRO A 60 -3.318 7.143 -18.301 1.00 14.12 O ATOM 925 CB PRO A 60 -5.538 6.017 -20.311 1.00 1.25 C ATOM 926 CG PRO A 60 -6.709 5.212 -19.867 1.00 71.22 C ATOM 927 CD PRO A 60 -6.196 3.814 -19.660 1.00 23.21 C ATOM 0 HA PRO A 60 -3.413 5.436 -20.159 1.00 24.01 H new ATOM 0 HB2 PRO A 60 -5.657 7.068 -20.047 1.00 1.25 H new ATOM 0 HB3 PRO A 60 -5.414 5.972 -21.393 1.00 1.25 H new ATOM 0 HG2 PRO A 60 -7.131 5.613 -18.946 1.00 71.22 H new ATOM 0 HG3 PRO A 60 -7.501 5.230 -20.615 1.00 71.22 H new ATOM 0 HD2 PRO A 60 -6.722 3.309 -18.850 1.00 23.21 H new ATOM 0 HD3 PRO A 60 -6.324 3.203 -20.553 1.00 23.21 H new ATOM 935 N ASN A 61 -4.615 5.675 -17.195 1.00 4.12 N ATOM 936 CA ASN A 61 -4.412 6.307 -15.896 1.00 51.00 C ATOM 937 C ASN A 61 -3.111 5.830 -15.256 1.00 52.42 C ATOM 938 O ASN A 61 -2.768 6.235 -14.146 1.00 51.54 O ATOM 939 CB ASN A 61 -5.590 6.003 -14.969 1.00 1.33 C ATOM 940 CG ASN A 61 -5.930 4.526 -14.930 1.00 51.30 C ATOM 941 OD1 ASN A 61 -5.121 3.681 -15.314 1.00 61.14 O ATOM 942 ND2 ASN A 61 -7.133 4.208 -14.465 1.00 30.43 N ATOM 0 H ASN A 61 -5.221 4.855 -17.175 1.00 4.12 H new ATOM 0 HA ASN A 61 -4.347 7.384 -16.050 1.00 51.00 H new ATOM 0 HB2 ASN A 61 -5.353 6.345 -13.961 1.00 1.33 H new ATOM 0 HB3 ASN A 61 -6.463 6.565 -15.300 1.00 1.33 H new ATOM 0 HD21 ASN A 61 -7.418 3.230 -14.415 1.00 30.43 H new ATOM 0 HD22 ASN A 61 -7.771 4.942 -14.157 1.00 30.43 H new ATOM 949 N GLY A 62 -2.389 4.969 -15.966 1.00 71.05 N ATOM 950 CA GLY A 62 -1.135 4.451 -15.453 1.00 1.34 C ATOM 951 C GLY A 62 -1.313 3.163 -14.673 1.00 43.54 C ATOM 952 O GLY A 62 -0.551 2.877 -13.751 1.00 32.33 O ATOM 0 H GLY A 62 -2.651 4.621 -16.888 1.00 71.05 H new ATOM 0 HA2 GLY A 62 -0.451 4.277 -16.284 1.00 1.34 H new ATOM 0 HA3 GLY A 62 -0.672 5.200 -14.810 1.00 1.34 H new ATOM 956 N SER A 63 -2.325 2.385 -15.045 1.00 23.44 N ATOM 957 CA SER A 63 -2.605 1.122 -14.371 1.00 14.32 C ATOM 958 C SER A 63 -2.356 -0.058 -15.305 1.00 35.32 C ATOM 959 O SER A 63 -1.987 0.120 -16.466 1.00 4.41 O ATOM 960 CB SER A 63 -4.050 1.097 -13.871 1.00 62.12 C ATOM 961 OG SER A 63 -4.178 1.792 -12.643 1.00 24.24 O ATOM 0 H SER A 63 -2.964 2.607 -15.809 1.00 23.44 H new ATOM 0 HA SER A 63 -1.932 1.035 -13.518 1.00 14.32 H new ATOM 0 HB2 SER A 63 -4.704 1.548 -14.617 1.00 62.12 H new ATOM 0 HB3 SER A 63 -4.376 0.065 -13.744 1.00 62.12 H new ATOM 0 HG SER A 63 -5.112 1.762 -12.346 1.00 24.24 H new ATOM 967 N LEU A 64 -2.563 -1.265 -14.789 1.00 2.31 N ATOM 968 CA LEU A 64 -2.363 -2.478 -15.575 1.00 4.03 C ATOM 969 C LEU A 64 -3.573 -3.400 -15.473 1.00 74.04 C ATOM 970 O LEU A 64 -4.041 -3.708 -14.377 1.00 34.25 O ATOM 971 CB LEU A 64 -1.106 -3.213 -15.105 1.00 14.44 C ATOM 972 CG LEU A 64 -0.973 -4.669 -15.551 1.00 53.13 C ATOM 973 CD1 LEU A 64 -1.037 -4.770 -17.067 1.00 54.10 C ATOM 974 CD2 LEU A 64 0.324 -5.270 -15.029 1.00 33.20 C ATOM 0 H LEU A 64 -2.869 -1.430 -13.830 1.00 2.31 H new ATOM 0 HA LEU A 64 -2.238 -2.188 -16.618 1.00 4.03 H new ATOM 0 HB2 LEU A 64 -0.234 -2.664 -15.461 1.00 14.44 H new ATOM 0 HB3 LEU A 64 -1.078 -3.184 -14.016 1.00 14.44 H new ATOM 0 HG LEU A 64 -1.806 -5.235 -15.134 1.00 53.13 H new ATOM 0 HD11 LEU A 64 -0.941 -5.814 -17.367 1.00 54.10 H new ATOM 0 HD12 LEU A 64 -1.992 -4.378 -17.418 1.00 54.10 H new ATOM 0 HD13 LEU A 64 -0.224 -4.190 -17.505 1.00 54.10 H new ATOM 0 HD21 LEU A 64 0.402 -6.307 -15.356 1.00 33.20 H new ATOM 0 HD22 LEU A 64 1.170 -4.702 -15.417 1.00 33.20 H new ATOM 0 HD23 LEU A 64 0.330 -5.232 -13.940 1.00 33.20 H new ATOM 986 N PHE A 65 -4.075 -3.839 -16.622 1.00 43.50 N ATOM 987 CA PHE A 65 -5.231 -4.726 -16.662 1.00 25.20 C ATOM 988 C PHE A 65 -4.912 -5.999 -17.442 1.00 61.43 C ATOM 989 O PHE A 65 -4.333 -5.947 -18.528 1.00 72.01 O ATOM 990 CB PHE A 65 -6.427 -4.013 -17.296 1.00 10.13 C ATOM 991 CG PHE A 65 -7.659 -4.868 -17.379 1.00 54.35 C ATOM 992 CD1 PHE A 65 -7.823 -5.772 -18.416 1.00 4.33 C ATOM 993 CD2 PHE A 65 -8.654 -4.768 -16.420 1.00 20.02 C ATOM 994 CE1 PHE A 65 -8.956 -6.559 -18.495 1.00 64.44 C ATOM 995 CE2 PHE A 65 -9.790 -5.552 -16.494 1.00 25.44 C ATOM 996 CZ PHE A 65 -9.940 -6.450 -17.532 1.00 63.31 C ATOM 0 H PHE A 65 -3.699 -3.595 -17.538 1.00 43.50 H new ATOM 0 HA PHE A 65 -5.482 -5.001 -15.638 1.00 25.20 H new ATOM 0 HB2 PHE A 65 -6.654 -3.117 -16.718 1.00 10.13 H new ATOM 0 HB3 PHE A 65 -6.154 -3.684 -18.299 1.00 10.13 H new ATOM 0 HD1 PHE A 65 -7.056 -5.863 -19.171 1.00 4.33 H new ATOM 0 HD2 PHE A 65 -8.541 -4.069 -15.605 1.00 20.02 H new ATOM 0 HE1 PHE A 65 -9.072 -7.259 -19.309 1.00 64.44 H new ATOM 0 HE2 PHE A 65 -10.559 -5.462 -15.741 1.00 25.44 H new ATOM 0 HZ PHE A 65 -10.825 -7.066 -17.591 1.00 63.31 H new ATOM 1006 N LEU A 66 -5.293 -7.141 -16.880 1.00 4.01 N ATOM 1007 CA LEU A 66 -5.048 -8.428 -17.521 1.00 1.21 C ATOM 1008 C LEU A 66 -6.360 -9.106 -17.902 1.00 11.44 C ATOM 1009 O LEU A 66 -7.286 -9.215 -17.098 1.00 71.42 O ATOM 1010 CB LEU A 66 -4.242 -9.338 -16.591 1.00 54.21 C ATOM 1011 CG LEU A 66 -2.779 -8.950 -16.375 1.00 33.44 C ATOM 1012 CD1 LEU A 66 -2.679 -7.699 -15.517 1.00 35.14 C ATOM 1013 CD2 LEU A 66 -2.012 -10.099 -15.737 1.00 32.11 C ATOM 0 H LEU A 66 -5.773 -7.202 -15.982 1.00 4.01 H new ATOM 0 HA LEU A 66 -4.475 -8.249 -18.431 1.00 1.21 H new ATOM 0 HB2 LEU A 66 -4.738 -9.363 -15.621 1.00 54.21 H new ATOM 0 HB3 LEU A 66 -4.273 -10.352 -16.991 1.00 54.21 H new ATOM 0 HG LEU A 66 -2.333 -8.736 -17.346 1.00 33.44 H new ATOM 0 HD11 LEU A 66 -1.630 -7.439 -15.374 1.00 35.14 H new ATOM 0 HD12 LEU A 66 -3.193 -6.876 -16.013 1.00 35.14 H new ATOM 0 HD13 LEU A 66 -3.142 -7.885 -14.548 1.00 35.14 H new ATOM 0 HD21 LEU A 66 -0.973 -9.806 -15.590 1.00 32.11 H new ATOM 0 HD22 LEU A 66 -2.459 -10.344 -14.774 1.00 32.11 H new ATOM 0 HD23 LEU A 66 -2.054 -10.971 -16.389 1.00 32.11 H new ATOM 1025 N PRO A 67 -6.443 -9.573 -19.156 1.00 54.34 N ATOM 1026 CA PRO A 67 -7.637 -10.250 -19.671 1.00 42.34 C ATOM 1027 C PRO A 67 -7.841 -11.624 -19.043 1.00 1.24 C ATOM 1028 O PRO A 67 -8.973 -12.062 -18.839 1.00 51.23 O ATOM 1029 CB PRO A 67 -7.349 -10.385 -21.169 1.00 11.13 C ATOM 1030 CG PRO A 67 -5.863 -10.374 -21.272 1.00 1.15 C ATOM 1031 CD PRO A 67 -5.378 -9.475 -20.168 1.00 24.51 C ATOM 0 HA PRO A 67 -8.548 -9.696 -19.445 1.00 42.34 H new ATOM 0 HB2 PRO A 67 -7.767 -11.308 -21.571 1.00 11.13 H new ATOM 0 HB3 PRO A 67 -7.791 -9.563 -21.733 1.00 11.13 H new ATOM 0 HG2 PRO A 67 -5.457 -11.380 -21.163 1.00 1.15 H new ATOM 0 HG3 PRO A 67 -5.542 -10.004 -22.246 1.00 1.15 H new ATOM 0 HD2 PRO A 67 -4.417 -9.805 -19.774 1.00 24.51 H new ATOM 0 HD3 PRO A 67 -5.245 -8.450 -20.514 1.00 24.51 H new ATOM 1039 N ALA A 68 -6.738 -12.299 -18.736 1.00 12.25 N ATOM 1040 CA ALA A 68 -6.796 -13.622 -18.127 1.00 13.01 C ATOM 1041 C ALA A 68 -5.414 -14.079 -17.675 1.00 34.04 C ATOM 1042 O ALA A 68 -4.578 -14.464 -18.491 1.00 43.04 O ATOM 1043 CB ALA A 68 -7.393 -14.625 -19.103 1.00 33.01 C ATOM 0 H ALA A 68 -5.793 -11.951 -18.899 1.00 12.25 H new ATOM 0 HA ALA A 68 -7.436 -13.563 -17.246 1.00 13.01 H new ATOM 0 HB1 ALA A 68 -7.431 -15.609 -18.636 1.00 33.01 H new ATOM 0 HB2 ALA A 68 -8.402 -14.313 -19.374 1.00 33.01 H new ATOM 0 HB3 ALA A 68 -6.775 -14.672 -20.000 1.00 33.01 H new ATOM 1049 N VAL A 69 -5.180 -14.034 -16.366 1.00 2.43 N ATOM 1050 CA VAL A 69 -3.899 -14.444 -15.805 1.00 11.24 C ATOM 1051 C VAL A 69 -3.744 -15.960 -15.839 1.00 60.22 C ATOM 1052 O VAL A 69 -4.459 -16.685 -15.148 1.00 51.42 O ATOM 1053 CB VAL A 69 -3.741 -13.956 -14.352 1.00 1.14 C ATOM 1054 CG1 VAL A 69 -3.582 -12.444 -14.311 1.00 11.51 C ATOM 1055 CG2 VAL A 69 -4.927 -14.399 -13.510 1.00 54.13 C ATOM 0 H VAL A 69 -5.861 -13.718 -15.676 1.00 2.43 H new ATOM 0 HA VAL A 69 -3.124 -13.988 -16.421 1.00 11.24 H new ATOM 0 HB VAL A 69 -2.840 -14.403 -13.932 1.00 1.14 H new ATOM 0 HG11 VAL A 69 -3.472 -12.118 -13.277 1.00 11.51 H new ATOM 0 HG12 VAL A 69 -2.697 -12.156 -14.879 1.00 11.51 H new ATOM 0 HG13 VAL A 69 -4.463 -11.974 -14.748 1.00 11.51 H new ATOM 0 HG21 VAL A 69 -4.799 -14.046 -12.487 1.00 54.13 H new ATOM 0 HG22 VAL A 69 -5.844 -13.982 -13.926 1.00 54.13 H new ATOM 0 HG23 VAL A 69 -4.989 -15.487 -13.513 1.00 54.13 H new ATOM 1065 N GLY A 70 -2.803 -16.435 -16.650 1.00 1.13 N ATOM 1066 CA GLY A 70 -2.570 -17.864 -16.759 1.00 52.55 C ATOM 1067 C GLY A 70 -1.598 -18.375 -15.714 1.00 71.10 C ATOM 1068 O GLY A 70 -0.855 -17.597 -15.115 1.00 41.51 O ATOM 0 H GLY A 70 -2.198 -15.856 -17.233 1.00 1.13 H new ATOM 0 HA2 GLY A 70 -3.518 -18.392 -16.658 1.00 52.55 H new ATOM 0 HA3 GLY A 70 -2.183 -18.091 -17.752 1.00 52.55 H new ATOM 1072 N ILE A 71 -1.604 -19.685 -15.493 1.00 63.34 N ATOM 1073 CA ILE A 71 -0.717 -20.298 -14.514 1.00 33.25 C ATOM 1074 C ILE A 71 0.738 -19.922 -14.776 1.00 74.35 C ATOM 1075 O ILE A 71 1.542 -19.830 -13.849 1.00 61.45 O ATOM 1076 CB ILE A 71 -0.847 -21.832 -14.518 1.00 74.42 C ATOM 1077 CG1 ILE A 71 -0.664 -22.386 -13.104 1.00 31.31 C ATOM 1078 CG2 ILE A 71 0.169 -22.448 -15.470 1.00 1.44 C ATOM 1079 CD1 ILE A 71 0.127 -23.676 -13.057 1.00 74.20 C ATOM 0 H ILE A 71 -2.214 -20.342 -15.979 1.00 63.34 H new ATOM 0 HA ILE A 71 -1.017 -19.918 -13.537 1.00 33.25 H new ATOM 0 HB ILE A 71 -1.846 -22.095 -14.864 1.00 74.42 H new ATOM 0 HG12 ILE A 71 -0.160 -21.638 -12.492 1.00 31.31 H new ATOM 0 HG13 ILE A 71 -1.645 -22.554 -12.659 1.00 31.31 H new ATOM 0 HG21 ILE A 71 0.064 -23.533 -15.462 1.00 1.44 H new ATOM 0 HG22 ILE A 71 -0.005 -22.075 -16.479 1.00 1.44 H new ATOM 0 HG23 ILE A 71 1.176 -22.178 -15.152 1.00 1.44 H new ATOM 0 HD11 ILE A 71 0.217 -24.010 -12.023 1.00 74.20 H new ATOM 0 HD12 ILE A 71 -0.387 -24.439 -13.642 1.00 74.20 H new ATOM 0 HD13 ILE A 71 1.121 -23.509 -13.472 1.00 74.20 H new ATOM 1091 N GLN A 72 1.066 -19.703 -16.045 1.00 53.04 N ATOM 1092 CA GLN A 72 2.424 -19.335 -16.430 1.00 53.14 C ATOM 1093 C GLN A 72 2.708 -17.875 -16.093 1.00 71.31 C ATOM 1094 O GLN A 72 3.861 -17.480 -15.926 1.00 0.11 O ATOM 1095 CB GLN A 72 2.635 -19.576 -17.926 1.00 63.02 C ATOM 1096 CG GLN A 72 2.882 -21.034 -18.278 1.00 24.25 C ATOM 1097 CD GLN A 72 2.574 -21.344 -19.729 1.00 45.25 C ATOM 1098 OE1 GLN A 72 3.417 -21.872 -20.456 1.00 62.15 O ATOM 1099 NE2 GLN A 72 1.362 -21.017 -20.160 1.00 63.13 N ATOM 0 H GLN A 72 0.411 -19.774 -16.824 1.00 53.04 H new ATOM 0 HA GLN A 72 3.117 -19.960 -15.867 1.00 53.14 H new ATOM 0 HB2 GLN A 72 1.759 -19.223 -18.470 1.00 63.02 H new ATOM 0 HB3 GLN A 72 3.482 -18.980 -18.266 1.00 63.02 H new ATOM 0 HG2 GLN A 72 3.923 -21.283 -18.070 1.00 24.25 H new ATOM 0 HG3 GLN A 72 2.269 -21.667 -17.637 1.00 24.25 H new ATOM 0 HE21 GLN A 72 0.695 -20.581 -19.523 1.00 63.13 H new ATOM 0 HE22 GLN A 72 1.098 -21.202 -21.128 1.00 63.13 H new ATOM 1108 N ASP A 73 1.649 -17.078 -15.996 1.00 52.12 N ATOM 1109 CA ASP A 73 1.785 -15.661 -15.678 1.00 63.55 C ATOM 1110 C ASP A 73 1.956 -15.456 -14.177 1.00 1.44 C ATOM 1111 O ASP A 73 2.161 -14.333 -13.715 1.00 23.41 O ATOM 1112 CB ASP A 73 0.563 -14.886 -16.176 1.00 44.44 C ATOM 1113 CG ASP A 73 0.798 -14.244 -17.530 1.00 70.45 C ATOM 1114 OD1 ASP A 73 1.079 -14.984 -18.497 1.00 12.43 O ATOM 1115 OD2 ASP A 73 0.698 -13.004 -17.623 1.00 40.34 O ATOM 0 H ASP A 73 0.687 -17.389 -16.133 1.00 52.12 H new ATOM 0 HA ASP A 73 2.675 -15.284 -16.182 1.00 63.55 H new ATOM 0 HB2 ASP A 73 -0.291 -15.561 -16.240 1.00 44.44 H new ATOM 0 HB3 ASP A 73 0.305 -14.114 -15.451 1.00 44.44 H new ATOM 1120 N GLU A 74 1.870 -16.546 -13.422 1.00 11.52 N ATOM 1121 CA GLU A 74 2.014 -16.482 -11.972 1.00 64.30 C ATOM 1122 C GLU A 74 3.428 -16.061 -11.584 1.00 11.25 C ATOM 1123 O GLU A 74 4.405 -16.481 -12.202 1.00 41.13 O ATOM 1124 CB GLU A 74 1.684 -17.839 -11.345 1.00 42.12 C ATOM 1125 CG GLU A 74 2.816 -18.848 -11.447 1.00 60.00 C ATOM 1126 CD GLU A 74 2.467 -20.182 -10.817 1.00 24.52 C ATOM 1127 OE1 GLU A 74 2.561 -20.295 -9.576 1.00 41.43 O ATOM 1128 OE2 GLU A 74 2.100 -21.113 -11.563 1.00 32.31 O ATOM 0 H GLU A 74 1.702 -17.483 -13.789 1.00 11.52 H new ATOM 0 HA GLU A 74 1.315 -15.735 -11.595 1.00 64.30 H new ATOM 0 HB2 GLU A 74 1.432 -17.693 -10.295 1.00 42.12 H new ATOM 0 HB3 GLU A 74 0.798 -18.249 -11.831 1.00 42.12 H new ATOM 0 HG2 GLU A 74 3.068 -19.001 -12.496 1.00 60.00 H new ATOM 0 HG3 GLU A 74 3.704 -18.443 -10.962 1.00 60.00 H new ATOM 1135 N GLY A 75 3.528 -15.226 -10.553 1.00 24.21 N ATOM 1136 CA GLY A 75 4.826 -14.760 -10.099 1.00 2.31 C ATOM 1137 C GLY A 75 4.737 -13.459 -9.327 1.00 41.00 C ATOM 1138 O GLY A 75 3.844 -13.282 -8.498 1.00 54.34 O ATOM 0 H GLY A 75 2.734 -14.864 -10.025 1.00 24.21 H new ATOM 0 HA2 GLY A 75 5.282 -15.523 -9.468 1.00 2.31 H new ATOM 0 HA3 GLY A 75 5.481 -14.624 -10.959 1.00 2.31 H new ATOM 1142 N ILE A 76 5.666 -12.548 -9.597 1.00 32.34 N ATOM 1143 CA ILE A 76 5.689 -11.257 -8.919 1.00 74.25 C ATOM 1144 C ILE A 76 5.641 -10.110 -9.923 1.00 72.32 C ATOM 1145 O ILE A 76 6.369 -10.109 -10.916 1.00 12.43 O ATOM 1146 CB ILE A 76 6.944 -11.105 -8.041 1.00 1.33 C ATOM 1147 CG1 ILE A 76 6.947 -12.156 -6.929 1.00 63.45 C ATOM 1148 CG2 ILE A 76 7.010 -9.704 -7.451 1.00 41.35 C ATOM 1149 CD1 ILE A 76 5.734 -12.086 -6.028 1.00 41.51 C ATOM 0 H ILE A 76 6.412 -12.680 -10.280 1.00 32.34 H new ATOM 0 HA ILE A 76 4.805 -11.217 -8.283 1.00 74.25 H new ATOM 0 HB ILE A 76 7.825 -11.260 -8.664 1.00 1.33 H new ATOM 0 HG12 ILE A 76 6.999 -13.148 -7.378 1.00 63.45 H new ATOM 0 HG13 ILE A 76 7.846 -12.032 -6.325 1.00 63.45 H new ATOM 0 HG21 ILE A 76 7.903 -9.611 -6.832 1.00 41.35 H new ATOM 0 HG22 ILE A 76 7.049 -8.971 -8.257 1.00 41.35 H new ATOM 0 HG23 ILE A 76 6.125 -9.524 -6.840 1.00 41.35 H new ATOM 0 HD11 ILE A 76 5.804 -12.860 -5.263 1.00 41.51 H new ATOM 0 HD12 ILE A 76 5.691 -11.107 -5.551 1.00 41.51 H new ATOM 0 HD13 ILE A 76 4.832 -12.241 -6.620 1.00 41.51 H new ATOM 1161 N PHE A 77 4.780 -9.133 -9.656 1.00 64.30 N ATOM 1162 CA PHE A 77 4.638 -7.979 -10.534 1.00 55.32 C ATOM 1163 C PHE A 77 5.325 -6.754 -9.938 1.00 54.41 C ATOM 1164 O PHE A 77 5.312 -6.551 -8.724 1.00 14.42 O ATOM 1165 CB PHE A 77 3.158 -7.677 -10.781 1.00 5.01 C ATOM 1166 CG PHE A 77 2.469 -8.711 -11.625 1.00 43.10 C ATOM 1167 CD1 PHE A 77 2.344 -10.017 -11.180 1.00 65.30 C ATOM 1168 CD2 PHE A 77 1.945 -8.376 -12.863 1.00 63.22 C ATOM 1169 CE1 PHE A 77 1.711 -10.970 -11.955 1.00 74.14 C ATOM 1170 CE2 PHE A 77 1.310 -9.325 -13.643 1.00 23.42 C ATOM 1171 CZ PHE A 77 1.193 -10.624 -13.187 1.00 52.43 C ATOM 0 H PHE A 77 4.170 -9.118 -8.838 1.00 64.30 H new ATOM 0 HA PHE A 77 5.117 -8.217 -11.484 1.00 55.32 H new ATOM 0 HB2 PHE A 77 2.646 -7.602 -9.822 1.00 5.01 H new ATOM 0 HB3 PHE A 77 3.070 -6.705 -11.267 1.00 5.01 H new ATOM 0 HD1 PHE A 77 2.746 -10.293 -10.216 1.00 65.30 H new ATOM 0 HD2 PHE A 77 2.034 -7.362 -13.223 1.00 63.22 H new ATOM 0 HE1 PHE A 77 1.622 -11.985 -11.597 1.00 74.14 H new ATOM 0 HE2 PHE A 77 0.906 -9.051 -14.607 1.00 23.42 H new ATOM 0 HZ PHE A 77 0.697 -11.367 -13.793 1.00 52.43 H new ATOM 1181 N ARG A 78 5.926 -5.940 -10.802 1.00 33.24 N ATOM 1182 CA ARG A 78 6.620 -4.737 -10.361 1.00 13.13 C ATOM 1183 C ARG A 78 6.336 -3.569 -11.302 1.00 74.54 C ATOM 1184 O ARG A 78 6.321 -3.732 -12.523 1.00 1.34 O ATOM 1185 CB ARG A 78 8.127 -4.989 -10.286 1.00 63.41 C ATOM 1186 CG ARG A 78 8.490 -6.325 -9.658 1.00 12.41 C ATOM 1187 CD ARG A 78 9.972 -6.629 -9.814 1.00 34.23 C ATOM 1188 NE ARG A 78 10.240 -8.065 -9.799 1.00 75.03 N ATOM 1189 CZ ARG A 78 11.451 -8.585 -9.638 1.00 11.12 C ATOM 1190 NH1 ARG A 78 12.501 -7.791 -9.477 1.00 11.22 N ATOM 1191 NH2 ARG A 78 11.616 -9.901 -9.636 1.00 53.21 N ATOM 0 H ARG A 78 5.946 -6.093 -11.810 1.00 33.24 H new ATOM 0 HA ARG A 78 6.252 -4.480 -9.368 1.00 13.13 H new ATOM 0 HB2 ARG A 78 8.545 -4.944 -11.292 1.00 63.41 H new ATOM 0 HB3 ARG A 78 8.593 -4.188 -9.711 1.00 63.41 H new ATOM 0 HG2 ARG A 78 8.229 -6.314 -8.600 1.00 12.41 H new ATOM 0 HG3 ARG A 78 7.904 -7.118 -10.122 1.00 12.41 H new ATOM 0 HD2 ARG A 78 10.333 -6.202 -10.750 1.00 34.23 H new ATOM 0 HD3 ARG A 78 10.528 -6.148 -9.009 1.00 34.23 H new ATOM 0 HE ARG A 78 9.453 -8.703 -9.919 1.00 75.03 H new ATOM 0 HH11 ARG A 78 12.379 -6.778 -9.477 1.00 11.22 H new ATOM 0 HH12 ARG A 78 13.430 -8.193 -9.353 1.00 11.22 H new ATOM 0 HH21 ARG A 78 10.812 -10.516 -9.758 1.00 53.21 H new ATOM 0 HH22 ARG A 78 12.547 -10.298 -9.512 1.00 53.21 H new ATOM 1205 N CYS A 79 6.109 -2.394 -10.726 1.00 50.23 N ATOM 1206 CA CYS A 79 5.823 -1.199 -11.513 1.00 73.41 C ATOM 1207 C CYS A 79 6.769 -0.062 -11.137 1.00 20.41 C ATOM 1208 O CYS A 79 7.302 -0.027 -10.029 1.00 1.33 O ATOM 1209 CB CYS A 79 4.373 -0.761 -11.303 1.00 51.35 C ATOM 1210 SG CYS A 79 3.798 0.496 -12.490 1.00 50.03 S ATOM 0 H CYS A 79 6.117 -2.243 -9.717 1.00 50.23 H new ATOM 0 HA CYS A 79 5.974 -1.441 -12.565 1.00 73.41 H new ATOM 0 HB2 CYS A 79 3.726 -1.636 -11.374 1.00 51.35 H new ATOM 0 HB3 CYS A 79 4.266 -0.367 -10.292 1.00 51.35 H new ATOM 1215 N GLN A 80 6.971 0.864 -12.069 1.00 53.11 N ATOM 1216 CA GLN A 80 7.852 2.002 -11.836 1.00 22.53 C ATOM 1217 C GLN A 80 7.265 3.277 -12.431 1.00 44.43 C ATOM 1218 O GLN A 80 6.777 3.278 -13.560 1.00 42.25 O ATOM 1219 CB GLN A 80 9.234 1.734 -12.436 1.00 2.04 C ATOM 1220 CG GLN A 80 9.845 2.947 -13.120 1.00 61.31 C ATOM 1221 CD GLN A 80 11.295 2.729 -13.508 1.00 71.53 C ATOM 1222 OE1 GLN A 80 11.653 2.804 -14.684 1.00 73.41 O ATOM 1223 NE2 GLN A 80 12.138 2.457 -12.519 1.00 14.42 N ATOM 0 H GLN A 80 6.537 0.848 -12.992 1.00 53.11 H new ATOM 0 HA GLN A 80 7.951 2.138 -10.759 1.00 22.53 H new ATOM 0 HB2 GLN A 80 9.905 1.396 -11.646 1.00 2.04 H new ATOM 0 HB3 GLN A 80 9.156 0.921 -13.158 1.00 2.04 H new ATOM 0 HG2 GLN A 80 9.266 3.186 -14.012 1.00 61.31 H new ATOM 0 HG3 GLN A 80 9.776 3.808 -12.455 1.00 61.31 H new ATOM 0 HE21 GLN A 80 11.798 2.405 -11.559 1.00 14.42 H new ATOM 0 HE22 GLN A 80 13.126 2.301 -12.719 1.00 14.42 H new ATOM 1232 N ALA A 81 7.315 4.361 -11.663 1.00 32.30 N ATOM 1233 CA ALA A 81 6.789 5.642 -12.116 1.00 10.01 C ATOM 1234 C ALA A 81 7.789 6.765 -11.865 1.00 42.42 C ATOM 1235 O ALA A 81 8.723 6.613 -11.078 1.00 14.32 O ATOM 1236 CB ALA A 81 5.468 5.945 -11.422 1.00 44.34 C ATOM 0 H ALA A 81 7.714 4.377 -10.725 1.00 32.30 H new ATOM 0 HA ALA A 81 6.617 5.577 -13.190 1.00 10.01 H new ATOM 0 HB1 ALA A 81 5.086 6.905 -11.770 1.00 44.34 H new ATOM 0 HB2 ALA A 81 4.747 5.162 -11.655 1.00 44.34 H new ATOM 0 HB3 ALA A 81 5.624 5.986 -10.344 1.00 44.34 H new ATOM 1242 N MET A 82 7.588 7.892 -12.541 1.00 44.44 N ATOM 1243 CA MET A 82 8.474 9.041 -12.391 1.00 65.10 C ATOM 1244 C MET A 82 7.675 10.314 -12.130 1.00 72.52 C ATOM 1245 O MET A 82 6.785 10.668 -12.903 1.00 45.25 O ATOM 1246 CB MET A 82 9.336 9.214 -13.644 1.00 3.14 C ATOM 1247 CG MET A 82 10.124 10.514 -13.663 1.00 70.34 C ATOM 1248 SD MET A 82 11.753 10.328 -14.414 1.00 52.11 S ATOM 1249 CE MET A 82 12.540 9.221 -13.246 1.00 72.34 C ATOM 0 H MET A 82 6.820 8.034 -13.197 1.00 44.44 H new ATOM 0 HA MET A 82 9.123 8.859 -11.534 1.00 65.10 H new ATOM 0 HB2 MET A 82 10.030 8.377 -13.716 1.00 3.14 H new ATOM 0 HB3 MET A 82 8.695 9.174 -14.525 1.00 3.14 H new ATOM 0 HG2 MET A 82 9.560 11.268 -14.211 1.00 70.34 H new ATOM 0 HG3 MET A 82 10.238 10.880 -12.643 1.00 70.34 H new ATOM 0 HE1 MET A 82 13.617 9.388 -13.255 1.00 72.34 H new ATOM 0 HE2 MET A 82 12.152 9.412 -12.246 1.00 72.34 H new ATOM 0 HE3 MET A 82 12.331 8.188 -13.525 1.00 72.34 H new ATOM 1259 N ASN A 83 7.997 10.995 -11.037 1.00 13.14 N ATOM 1260 CA ASN A 83 7.307 12.228 -10.674 1.00 22.02 C ATOM 1261 C ASN A 83 8.000 13.440 -11.289 1.00 12.52 C ATOM 1262 O ASN A 83 9.079 13.323 -11.869 1.00 4.33 O ATOM 1263 CB ASN A 83 7.251 12.376 -9.152 1.00 53.25 C ATOM 1264 CG ASN A 83 6.106 11.594 -8.537 1.00 3.40 C ATOM 1265 OD1 ASN A 83 5.071 12.161 -8.184 1.00 24.43 O ATOM 1266 ND2 ASN A 83 6.287 10.285 -8.405 1.00 44.42 N ATOM 0 H ASN A 83 8.731 10.715 -10.386 1.00 13.14 H new ATOM 0 HA ASN A 83 6.291 12.176 -11.065 1.00 22.02 H new ATOM 0 HB2 ASN A 83 8.193 12.035 -8.722 1.00 53.25 H new ATOM 0 HB3 ASN A 83 7.146 13.430 -8.896 1.00 53.25 H new ATOM 0 HD21 ASN A 83 5.552 9.707 -7.997 1.00 44.42 H new ATOM 0 HD22 ASN A 83 7.161 9.858 -8.711 1.00 44.42 H new ATOM 1273 N ARG A 84 7.372 14.604 -11.157 1.00 14.42 N ATOM 1274 CA ARG A 84 7.928 15.837 -11.699 1.00 53.45 C ATOM 1275 C ARG A 84 9.146 16.285 -10.897 1.00 71.05 C ATOM 1276 O ARG A 84 9.954 17.083 -11.370 1.00 74.24 O ATOM 1277 CB ARG A 84 6.869 16.943 -11.698 1.00 24.22 C ATOM 1278 CG ARG A 84 7.379 18.275 -12.224 1.00 53.02 C ATOM 1279 CD ARG A 84 6.276 19.321 -12.253 1.00 73.13 C ATOM 1280 NE ARG A 84 5.327 19.088 -13.339 1.00 5.41 N ATOM 1281 CZ ARG A 84 4.141 19.681 -13.419 1.00 2.24 C ATOM 1282 NH1 ARG A 84 3.761 20.538 -12.482 1.00 40.12 N ATOM 1283 NH2 ARG A 84 3.334 19.417 -14.439 1.00 11.54 N ATOM 0 H ARG A 84 6.478 14.718 -10.679 1.00 14.42 H new ATOM 0 HA ARG A 84 8.242 15.643 -12.725 1.00 53.45 H new ATOM 0 HB2 ARG A 84 6.021 16.623 -12.304 1.00 24.22 H new ATOM 0 HB3 ARG A 84 6.500 17.080 -10.681 1.00 24.22 H new ATOM 0 HG2 ARG A 84 8.198 18.626 -11.596 1.00 53.02 H new ATOM 0 HG3 ARG A 84 7.781 18.141 -13.228 1.00 53.02 H new ATOM 0 HD2 ARG A 84 5.746 19.314 -11.301 1.00 73.13 H new ATOM 0 HD3 ARG A 84 6.718 20.311 -12.365 1.00 73.13 H new ATOM 0 HE ARG A 84 5.590 18.434 -14.076 1.00 5.41 H new ATOM 0 HH11 ARG A 84 4.380 20.743 -11.697 1.00 40.12 H new ATOM 0 HH12 ARG A 84 2.850 20.992 -12.545 1.00 40.12 H new ATOM 0 HH21 ARG A 84 3.624 18.759 -15.162 1.00 11.54 H new ATOM 0 HH22 ARG A 84 2.423 19.873 -14.500 1.00 11.54 H new ATOM 1297 N ASN A 85 9.271 15.763 -9.681 1.00 14.42 N ATOM 1298 CA ASN A 85 10.390 16.110 -8.813 1.00 0.12 C ATOM 1299 C ASN A 85 11.676 15.442 -9.290 1.00 31.15 C ATOM 1300 O ASN A 85 12.776 15.875 -8.951 1.00 42.11 O ATOM 1301 CB ASN A 85 10.091 15.694 -7.370 1.00 53.34 C ATOM 1302 CG ASN A 85 9.069 16.597 -6.708 1.00 74.25 C ATOM 1303 OD1 ASN A 85 9.419 17.485 -5.931 1.00 22.02 O ATOM 1304 ND2 ASN A 85 7.796 16.375 -7.014 1.00 64.33 N ATOM 0 H ASN A 85 8.612 15.099 -9.275 1.00 14.42 H new ATOM 0 HA ASN A 85 10.527 17.191 -8.852 1.00 0.12 H new ATOM 0 HB2 ASN A 85 9.726 14.667 -7.359 1.00 53.34 H new ATOM 0 HB3 ASN A 85 11.015 15.710 -6.791 1.00 53.34 H new ATOM 0 HD21 ASN A 85 7.064 16.952 -6.600 1.00 64.33 H new ATOM 0 HD22 ASN A 85 7.550 15.628 -7.663 1.00 64.33 H new ATOM 1311 N GLY A 86 11.528 14.383 -10.080 1.00 65.24 N ATOM 1312 CA GLY A 86 12.686 13.672 -10.593 1.00 53.13 C ATOM 1313 C GLY A 86 12.855 12.308 -9.956 1.00 65.34 C ATOM 1314 O GLY A 86 13.598 11.466 -10.463 1.00 22.22 O ATOM 0 H GLY A 86 10.628 14.004 -10.374 1.00 65.24 H new ATOM 0 HA2 GLY A 86 12.589 13.556 -11.673 1.00 53.13 H new ATOM 0 HA3 GLY A 86 13.582 14.267 -10.415 1.00 53.13 H new ATOM 1318 N LYS A 87 12.167 12.086 -8.842 1.00 32.41 N ATOM 1319 CA LYS A 87 12.245 10.813 -8.134 1.00 52.32 C ATOM 1320 C LYS A 87 11.265 9.803 -8.722 1.00 62.43 C ATOM 1321 O LYS A 87 10.182 10.167 -9.176 1.00 34.22 O ATOM 1322 CB LYS A 87 11.952 11.015 -6.646 1.00 10.34 C ATOM 1323 CG LYS A 87 13.172 11.424 -5.836 1.00 74.23 C ATOM 1324 CD LYS A 87 13.398 12.925 -5.888 1.00 62.42 C ATOM 1325 CE LYS A 87 14.874 13.271 -5.758 1.00 15.03 C ATOM 1326 NZ LYS A 87 15.076 14.669 -5.287 1.00 21.54 N ATOM 0 H LYS A 87 11.548 12.772 -8.409 1.00 32.41 H new ATOM 0 HA LYS A 87 13.256 10.423 -8.250 1.00 52.32 H new ATOM 0 HB2 LYS A 87 11.181 11.778 -6.536 1.00 10.34 H new ATOM 0 HB3 LYS A 87 11.547 10.090 -6.235 1.00 10.34 H new ATOM 0 HG2 LYS A 87 13.044 11.110 -4.800 1.00 74.23 H new ATOM 0 HG3 LYS A 87 14.053 10.909 -6.219 1.00 74.23 H new ATOM 0 HD2 LYS A 87 13.012 13.320 -6.828 1.00 62.42 H new ATOM 0 HD3 LYS A 87 12.838 13.406 -5.086 1.00 62.42 H new ATOM 0 HE2 LYS A 87 15.349 12.581 -5.061 1.00 15.03 H new ATOM 0 HE3 LYS A 87 15.365 13.138 -6.722 1.00 15.03 H new ATOM 0 HZ1 LYS A 87 16.094 14.866 -5.211 1.00 21.54 H new ATOM 0 HZ2 LYS A 87 14.645 15.329 -5.965 1.00 21.54 H new ATOM 0 HZ3 LYS A 87 14.630 14.789 -4.355 1.00 21.54 H new ATOM 1340 N GLU A 88 11.656 8.532 -8.711 1.00 73.33 N ATOM 1341 CA GLU A 88 10.810 7.470 -9.243 1.00 61.43 C ATOM 1342 C GLU A 88 10.202 6.641 -8.115 1.00 1.31 C ATOM 1343 O GLU A 88 10.835 6.415 -7.083 1.00 63.12 O ATOM 1344 CB GLU A 88 11.618 6.565 -10.177 1.00 34.54 C ATOM 1345 CG GLU A 88 12.391 5.476 -9.450 1.00 45.35 C ATOM 1346 CD GLU A 88 13.418 6.036 -8.485 1.00 62.01 C ATOM 1347 OE1 GLU A 88 14.303 6.794 -8.934 1.00 13.04 O ATOM 1348 OE2 GLU A 88 13.336 5.715 -7.281 1.00 61.40 O ATOM 0 H GLU A 88 12.551 8.213 -8.340 1.00 73.33 H new ATOM 0 HA GLU A 88 10.000 7.933 -9.807 1.00 61.43 H new ATOM 0 HB2 GLU A 88 10.942 6.101 -10.895 1.00 34.54 H new ATOM 0 HB3 GLU A 88 12.317 7.177 -10.747 1.00 34.54 H new ATOM 0 HG2 GLU A 88 11.692 4.842 -8.904 1.00 45.35 H new ATOM 0 HG3 GLU A 88 12.892 4.842 -10.181 1.00 45.35 H new ATOM 1355 N THR A 89 8.968 6.191 -8.318 1.00 73.14 N ATOM 1356 CA THR A 89 8.272 5.389 -7.319 1.00 33.31 C ATOM 1357 C THR A 89 8.241 3.918 -7.719 1.00 21.13 C ATOM 1358 O THR A 89 7.930 3.581 -8.861 1.00 31.21 O ATOM 1359 CB THR A 89 6.828 5.883 -7.110 1.00 33.05 C ATOM 1360 OG1 THR A 89 6.743 7.284 -7.393 1.00 72.15 O ATOM 1361 CG2 THR A 89 6.369 5.621 -5.682 1.00 63.21 C ATOM 0 H THR A 89 8.429 6.368 -9.166 1.00 73.14 H new ATOM 0 HA THR A 89 8.824 5.497 -6.386 1.00 33.31 H new ATOM 0 HB THR A 89 6.178 5.335 -7.792 1.00 33.05 H new ATOM 0 HG1 THR A 89 6.209 7.422 -8.203 1.00 72.15 H new ATOM 0 HG21 THR A 89 5.347 5.978 -5.557 1.00 63.21 H new ATOM 0 HG22 THR A 89 6.407 4.551 -5.478 1.00 63.21 H new ATOM 0 HG23 THR A 89 7.024 6.146 -4.987 1.00 63.21 H new ATOM 1369 N LYS A 90 8.566 3.046 -6.770 1.00 74.31 N ATOM 1370 CA LYS A 90 8.573 1.610 -7.022 1.00 30.43 C ATOM 1371 C LYS A 90 7.367 0.937 -6.374 1.00 52.21 C ATOM 1372 O LYS A 90 6.921 1.343 -5.301 1.00 35.11 O ATOM 1373 CB LYS A 90 9.865 0.985 -6.490 1.00 31.24 C ATOM 1374 CG LYS A 90 10.098 1.236 -5.010 1.00 3.30 C ATOM 1375 CD LYS A 90 11.460 1.860 -4.757 1.00 50.32 C ATOM 1376 CE LYS A 90 11.558 3.251 -5.366 1.00 63.53 C ATOM 1377 NZ LYS A 90 12.943 3.791 -5.296 1.00 4.15 N ATOM 0 H LYS A 90 8.828 3.309 -5.820 1.00 74.31 H new ATOM 0 HA LYS A 90 8.517 1.456 -8.100 1.00 30.43 H new ATOM 0 HB2 LYS A 90 9.839 -0.090 -6.668 1.00 31.24 H new ATOM 0 HB3 LYS A 90 10.709 1.381 -7.054 1.00 31.24 H new ATOM 0 HG2 LYS A 90 9.319 1.893 -4.625 1.00 3.30 H new ATOM 0 HG3 LYS A 90 10.021 0.296 -4.464 1.00 3.30 H new ATOM 0 HD2 LYS A 90 11.641 1.918 -3.684 1.00 50.32 H new ATOM 0 HD3 LYS A 90 12.237 1.222 -5.177 1.00 50.32 H new ATOM 0 HE2 LYS A 90 11.234 3.216 -6.406 1.00 63.53 H new ATOM 0 HE3 LYS A 90 10.879 3.925 -4.844 1.00 63.53 H new ATOM 0 HZ1 LYS A 90 13.029 4.609 -5.932 1.00 4.15 H new ATOM 0 HZ2 LYS A 90 13.151 4.087 -4.321 1.00 4.15 H new ATOM 0 HZ3 LYS A 90 13.618 3.055 -5.586 1.00 4.15 H new ATOM 1391 N SER A 91 6.844 -0.092 -7.033 1.00 31.31 N ATOM 1392 CA SER A 91 5.688 -0.819 -6.522 1.00 50.31 C ATOM 1393 C SER A 91 5.786 -2.303 -6.860 1.00 62.30 C ATOM 1394 O SER A 91 5.974 -2.676 -8.018 1.00 33.11 O ATOM 1395 CB SER A 91 4.397 -0.236 -7.100 1.00 23.44 C ATOM 1396 OG SER A 91 4.487 1.171 -7.234 1.00 40.11 O ATOM 0 H SER A 91 7.202 -0.441 -7.922 1.00 31.31 H new ATOM 0 HA SER A 91 5.673 -0.712 -5.437 1.00 50.31 H new ATOM 0 HB2 SER A 91 4.196 -0.685 -8.073 1.00 23.44 H new ATOM 0 HB3 SER A 91 3.558 -0.490 -6.452 1.00 23.44 H new ATOM 0 HG SER A 91 4.215 1.432 -8.139 1.00 40.11 H new ATOM 1402 N ASN A 92 5.659 -3.147 -5.841 1.00 12.21 N ATOM 1403 CA ASN A 92 5.734 -4.591 -6.029 1.00 32.14 C ATOM 1404 C ASN A 92 4.432 -5.263 -5.604 1.00 21.12 C ATOM 1405 O ASN A 92 3.993 -5.123 -4.463 1.00 35.22 O ATOM 1406 CB ASN A 92 6.904 -5.169 -5.232 1.00 35.35 C ATOM 1407 CG ASN A 92 6.609 -6.558 -4.697 1.00 33.40 C ATOM 1408 OD1 ASN A 92 6.678 -6.800 -3.491 1.00 42.44 O ATOM 1409 ND2 ASN A 92 6.276 -7.479 -5.594 1.00 70.22 N ATOM 0 H ASN A 92 5.504 -2.855 -4.876 1.00 12.21 H new ATOM 0 HA ASN A 92 5.894 -4.787 -7.089 1.00 32.14 H new ATOM 0 HB2 ASN A 92 7.789 -5.208 -5.867 1.00 35.35 H new ATOM 0 HB3 ASN A 92 7.137 -4.504 -4.400 1.00 35.35 H new ATOM 0 HD21 ASN A 92 6.065 -8.431 -5.294 1.00 70.22 H new ATOM 0 HD22 ASN A 92 6.231 -7.235 -6.583 1.00 70.22 H new ATOM 1416 N TYR A 93 3.820 -5.993 -6.530 1.00 51.21 N ATOM 1417 CA TYR A 93 2.567 -6.685 -6.253 1.00 71.22 C ATOM 1418 C TYR A 93 2.692 -8.177 -6.550 1.00 52.02 C ATOM 1419 O TYR A 93 2.962 -8.574 -7.684 1.00 71.45 O ATOM 1420 CB TYR A 93 1.432 -6.082 -7.081 1.00 3.11 C ATOM 1421 CG TYR A 93 0.757 -4.903 -6.416 1.00 34.44 C ATOM 1422 CD1 TYR A 93 1.488 -3.790 -6.023 1.00 2.53 C ATOM 1423 CD2 TYR A 93 -0.613 -4.905 -6.180 1.00 3.20 C ATOM 1424 CE1 TYR A 93 0.875 -2.712 -5.414 1.00 42.43 C ATOM 1425 CE2 TYR A 93 -1.234 -3.830 -5.573 1.00 60.44 C ATOM 1426 CZ TYR A 93 -0.486 -2.736 -5.192 1.00 32.24 C ATOM 1427 OH TYR A 93 -1.100 -1.664 -4.587 1.00 31.43 O ATOM 0 H TYR A 93 4.171 -6.121 -7.479 1.00 51.21 H new ATOM 0 HA TYR A 93 2.340 -6.561 -5.194 1.00 71.22 H new ATOM 0 HB2 TYR A 93 1.826 -5.767 -8.047 1.00 3.11 H new ATOM 0 HB3 TYR A 93 0.687 -6.853 -7.277 1.00 3.11 H new ATOM 0 HD1 TYR A 93 2.554 -3.767 -6.196 1.00 2.53 H new ATOM 0 HD2 TYR A 93 -1.202 -5.761 -6.476 1.00 3.20 H new ATOM 0 HE1 TYR A 93 1.459 -1.855 -5.113 1.00 42.43 H new ATOM 0 HE2 TYR A 93 -2.300 -3.847 -5.398 1.00 60.44 H new ATOM 0 HH TYR A 93 -1.151 -1.819 -3.621 1.00 31.43 H new ATOM 1437 N ARG A 94 2.493 -8.997 -5.524 1.00 53.54 N ATOM 1438 CA ARG A 94 2.583 -10.444 -5.674 1.00 63.52 C ATOM 1439 C ARG A 94 1.269 -11.020 -6.191 1.00 73.24 C ATOM 1440 O ARG A 94 0.193 -10.676 -5.702 1.00 14.41 O ATOM 1441 CB ARG A 94 2.948 -11.095 -4.338 1.00 74.20 C ATOM 1442 CG ARG A 94 4.190 -10.505 -3.692 1.00 32.25 C ATOM 1443 CD ARG A 94 3.917 -10.060 -2.264 1.00 11.04 C ATOM 1444 NE ARG A 94 4.989 -10.455 -1.353 1.00 53.13 N ATOM 1445 CZ ARG A 94 5.104 -11.674 -0.837 1.00 13.50 C ATOM 1446 NH1 ARG A 94 4.217 -12.612 -1.140 1.00 44.41 N ATOM 1447 NH2 ARG A 94 6.107 -11.956 -0.016 1.00 45.11 N ATOM 0 H ARG A 94 2.268 -8.684 -4.580 1.00 53.54 H new ATOM 0 HA ARG A 94 3.365 -10.661 -6.401 1.00 63.52 H new ATOM 0 HB2 ARG A 94 2.108 -10.991 -3.652 1.00 74.20 H new ATOM 0 HB3 ARG A 94 3.102 -12.163 -4.494 1.00 74.20 H new ATOM 0 HG2 ARG A 94 4.990 -11.245 -3.697 1.00 32.25 H new ATOM 0 HG3 ARG A 94 4.538 -9.655 -4.279 1.00 32.25 H new ATOM 0 HD2 ARG A 94 3.800 -8.977 -2.238 1.00 11.04 H new ATOM 0 HD3 ARG A 94 2.975 -10.491 -1.924 1.00 11.04 H new ATOM 0 HE ARG A 94 5.688 -9.756 -1.099 1.00 53.13 H new ATOM 0 HH11 ARG A 94 3.444 -12.399 -1.771 1.00 44.41 H new ATOM 0 HH12 ARG A 94 4.308 -13.547 -0.743 1.00 44.41 H new ATOM 0 HH21 ARG A 94 6.791 -11.237 0.220 1.00 45.11 H new ATOM 0 HH22 ARG A 94 6.194 -12.892 0.380 1.00 45.11 H new ATOM 1461 N VAL A 95 1.363 -11.900 -7.183 1.00 30.23 N ATOM 1462 CA VAL A 95 0.181 -12.524 -7.766 1.00 64.02 C ATOM 1463 C VAL A 95 0.301 -14.044 -7.754 1.00 45.42 C ATOM 1464 O VAL A 95 1.357 -14.597 -8.063 1.00 41.33 O ATOM 1465 CB VAL A 95 -0.048 -12.050 -9.213 1.00 52.32 C ATOM 1466 CG1 VAL A 95 -1.175 -12.839 -9.863 1.00 12.44 C ATOM 1467 CG2 VAL A 95 -0.344 -10.558 -9.244 1.00 1.23 C ATOM 0 H VAL A 95 2.245 -12.197 -7.600 1.00 30.23 H new ATOM 0 HA VAL A 95 -0.670 -12.224 -7.155 1.00 64.02 H new ATOM 0 HB VAL A 95 0.863 -12.229 -9.783 1.00 52.32 H new ATOM 0 HG11 VAL A 95 -1.322 -12.489 -10.885 1.00 12.44 H new ATOM 0 HG12 VAL A 95 -0.918 -13.898 -9.875 1.00 12.44 H new ATOM 0 HG13 VAL A 95 -2.094 -12.695 -9.295 1.00 12.44 H new ATOM 0 HG21 VAL A 95 -0.503 -10.240 -10.274 1.00 1.23 H new ATOM 0 HG22 VAL A 95 -1.240 -10.353 -8.658 1.00 1.23 H new ATOM 0 HG23 VAL A 95 0.499 -10.011 -8.822 1.00 1.23 H new ATOM 1477 N ARG A 96 -0.789 -14.715 -7.397 1.00 33.34 N ATOM 1478 CA ARG A 96 -0.806 -16.172 -7.344 1.00 14.14 C ATOM 1479 C ARG A 96 -2.013 -16.729 -8.092 1.00 51.25 C ATOM 1480 O ARG A 96 -3.139 -16.263 -7.912 1.00 43.34 O ATOM 1481 CB ARG A 96 -0.829 -16.651 -5.891 1.00 12.02 C ATOM 1482 CG ARG A 96 0.169 -17.760 -5.599 1.00 53.53 C ATOM 1483 CD ARG A 96 -0.290 -19.089 -6.180 1.00 12.43 C ATOM 1484 NE ARG A 96 -1.528 -19.557 -5.562 1.00 42.25 N ATOM 1485 CZ ARG A 96 -1.578 -20.156 -4.378 1.00 73.13 C ATOM 1486 NH1 ARG A 96 -0.466 -20.359 -3.686 1.00 53.03 N ATOM 1487 NH2 ARG A 96 -2.744 -20.553 -3.884 1.00 45.20 N ATOM 0 H ARG A 96 -1.672 -14.273 -7.140 1.00 33.34 H new ATOM 0 HA ARG A 96 0.100 -16.538 -7.826 1.00 14.14 H new ATOM 0 HB2 ARG A 96 -0.622 -15.805 -5.235 1.00 12.02 H new ATOM 0 HB3 ARG A 96 -1.832 -17.003 -5.649 1.00 12.02 H new ATOM 0 HG2 ARG A 96 1.141 -17.496 -6.016 1.00 53.53 H new ATOM 0 HG3 ARG A 96 0.300 -17.859 -4.521 1.00 53.53 H new ATOM 0 HD2 ARG A 96 -0.439 -18.983 -7.255 1.00 12.43 H new ATOM 0 HD3 ARG A 96 0.491 -19.836 -6.038 1.00 12.43 H new ATOM 0 HE ARG A 96 -2.402 -19.416 -6.068 1.00 42.25 H new ATOM 0 HH11 ARG A 96 0.432 -20.055 -4.063 1.00 53.03 H new ATOM 0 HH12 ARG A 96 -0.508 -20.819 -2.777 1.00 53.03 H new ATOM 0 HH21 ARG A 96 -3.602 -20.398 -4.414 1.00 45.20 H new ATOM 0 HH22 ARG A 96 -2.782 -21.013 -2.975 1.00 45.20 H new ATOM 1501 N VAL A 97 -1.772 -17.728 -8.935 1.00 30.32 N ATOM 1502 CA VAL A 97 -2.838 -18.349 -9.711 1.00 31.52 C ATOM 1503 C VAL A 97 -3.363 -19.603 -9.019 1.00 54.15 C ATOM 1504 O VAL A 97 -2.946 -19.933 -7.909 1.00 24.21 O ATOM 1505 CB VAL A 97 -2.359 -18.721 -11.127 1.00 61.11 C ATOM 1506 CG1 VAL A 97 -1.693 -17.528 -11.795 1.00 51.50 C ATOM 1507 CG2 VAL A 97 -1.411 -19.910 -11.073 1.00 73.20 C ATOM 0 H VAL A 97 -0.847 -18.125 -9.098 1.00 30.32 H new ATOM 0 HA VAL A 97 -3.641 -17.616 -9.788 1.00 31.52 H new ATOM 0 HB VAL A 97 -3.227 -19.004 -11.723 1.00 61.11 H new ATOM 0 HG11 VAL A 97 -1.361 -17.809 -12.794 1.00 51.50 H new ATOM 0 HG12 VAL A 97 -2.406 -16.707 -11.867 1.00 51.50 H new ATOM 0 HG13 VAL A 97 -0.834 -17.212 -11.203 1.00 51.50 H new ATOM 0 HG21 VAL A 97 -1.082 -20.159 -12.082 1.00 73.20 H new ATOM 0 HG22 VAL A 97 -0.545 -19.657 -10.461 1.00 73.20 H new ATOM 0 HG23 VAL A 97 -1.926 -20.766 -10.637 1.00 73.20 H new ATOM 1517 N TYR A 98 -4.282 -20.297 -9.682 1.00 2.40 N ATOM 1518 CA TYR A 98 -4.866 -21.513 -9.130 1.00 70.14 C ATOM 1519 C TYR A 98 -3.815 -22.611 -8.997 1.00 52.21 C ATOM 1520 O TYR A 98 -3.274 -22.839 -7.916 1.00 13.31 O ATOM 1521 CB TYR A 98 -6.016 -21.998 -10.015 1.00 73.40 C ATOM 1522 CG TYR A 98 -6.565 -23.347 -9.609 1.00 20.43 C ATOM 1523 CD1 TYR A 98 -6.960 -23.593 -8.299 1.00 74.12 C ATOM 1524 CD2 TYR A 98 -6.690 -24.375 -10.535 1.00 21.13 C ATOM 1525 CE1 TYR A 98 -7.461 -24.825 -7.924 1.00 51.31 C ATOM 1526 CE2 TYR A 98 -7.191 -25.609 -10.168 1.00 65.52 C ATOM 1527 CZ TYR A 98 -7.575 -25.829 -8.862 1.00 32.52 C ATOM 1528 OH TYR A 98 -8.075 -27.057 -8.492 1.00 52.42 O ATOM 0 H TYR A 98 -4.638 -20.038 -10.602 1.00 2.40 H new ATOM 0 HA TYR A 98 -5.252 -21.282 -8.137 1.00 70.14 H new ATOM 0 HB2 TYR A 98 -6.821 -21.264 -9.985 1.00 73.40 H new ATOM 0 HB3 TYR A 98 -5.671 -22.051 -11.048 1.00 73.40 H new ATOM 0 HD1 TYR A 98 -6.874 -22.808 -7.562 1.00 74.12 H new ATOM 0 HD2 TYR A 98 -6.391 -24.207 -11.559 1.00 21.13 H new ATOM 0 HE1 TYR A 98 -7.762 -25.000 -6.902 1.00 51.31 H new ATOM 0 HE2 TYR A 98 -7.281 -26.398 -10.900 1.00 65.52 H new ATOM 0 HH TYR A 98 -8.091 -27.652 -9.271 1.00 52.42 H new ATOM 1538 N GLN A 99 -3.531 -23.287 -10.106 1.00 31.10 N ATOM 1539 CA GLN A 99 -2.545 -24.361 -10.114 1.00 3.15 C ATOM 1540 C GLN A 99 -1.148 -23.820 -9.824 1.00 52.34 C ATOM 1541 O GLN A 99 -0.794 -22.725 -10.260 1.00 43.54 O ATOM 1542 CB GLN A 99 -2.556 -25.082 -11.463 1.00 10.13 C ATOM 1543 CG GLN A 99 -1.668 -26.315 -11.500 1.00 21.32 C ATOM 1544 CD GLN A 99 -2.334 -27.533 -10.889 1.00 41.10 C ATOM 1545 OE1 GLN A 99 -2.808 -28.419 -11.601 1.00 11.52 O ATOM 1546 NE2 GLN A 99 -2.372 -27.583 -9.562 1.00 40.13 N ATOM 0 H GLN A 99 -3.970 -23.110 -11.010 1.00 31.10 H new ATOM 0 HA GLN A 99 -2.810 -25.070 -9.329 1.00 3.15 H new ATOM 0 HB2 GLN A 99 -3.579 -25.374 -11.702 1.00 10.13 H new ATOM 0 HB3 GLN A 99 -2.233 -24.388 -12.239 1.00 10.13 H new ATOM 0 HG2 GLN A 99 -1.399 -26.533 -12.533 1.00 21.32 H new ATOM 0 HG3 GLN A 99 -0.741 -26.106 -10.966 1.00 21.32 H new ATOM 0 HE21 GLN A 99 -1.967 -26.826 -9.011 1.00 40.13 H new ATOM 0 HE22 GLN A 99 -2.807 -28.378 -9.094 1.00 40.13 H new ATOM 1555 N ILE A 100 -0.361 -24.594 -9.085 1.00 72.33 N ATOM 1556 CA ILE A 100 0.996 -24.193 -8.738 1.00 43.32 C ATOM 1557 C ILE A 100 2.017 -25.208 -9.243 1.00 73.22 C ATOM 1558 O ILE A 100 1.695 -26.365 -9.516 1.00 52.54 O ATOM 1559 CB ILE A 100 1.163 -24.027 -7.216 1.00 63.24 C ATOM 1560 CG1 ILE A 100 0.050 -24.771 -6.476 1.00 23.23 C ATOM 1561 CG2 ILE A 100 1.163 -22.553 -6.841 1.00 20.22 C ATOM 1562 CD1 ILE A 100 0.190 -24.725 -4.971 1.00 32.13 C ATOM 0 H ILE A 100 -0.640 -25.503 -8.715 1.00 72.33 H new ATOM 0 HA ILE A 100 1.173 -23.232 -9.221 1.00 43.32 H new ATOM 0 HB ILE A 100 2.120 -24.456 -6.921 1.00 63.24 H new ATOM 0 HG12 ILE A 100 -0.912 -24.342 -6.757 1.00 23.23 H new ATOM 0 HG13 ILE A 100 0.042 -25.812 -6.800 1.00 23.23 H new ATOM 0 HG21 ILE A 100 1.282 -22.452 -5.762 1.00 20.22 H new ATOM 0 HG22 ILE A 100 1.987 -22.049 -7.346 1.00 20.22 H new ATOM 0 HG23 ILE A 100 0.220 -22.100 -7.146 1.00 20.22 H new ATOM 0 HD11 ILE A 100 -0.633 -25.273 -4.512 1.00 32.13 H new ATOM 0 HD12 ILE A 100 1.136 -25.181 -4.680 1.00 32.13 H new ATOM 0 HD13 ILE A 100 0.168 -23.688 -4.635 1.00 32.13 H new ATOM 1574 N PRO A 101 3.277 -24.768 -9.369 1.00 4.42 N ATOM 1575 CA PRO A 101 4.371 -25.623 -9.839 1.00 23.44 C ATOM 1576 C PRO A 101 4.744 -26.698 -8.824 1.00 31.22 C ATOM 1577 O PRO A 101 4.890 -27.869 -9.171 1.00 22.15 O ATOM 1578 CB PRO A 101 5.531 -24.643 -10.030 1.00 11.43 C ATOM 1579 CG PRO A 101 5.231 -23.516 -9.102 1.00 42.25 C ATOM 1580 CD PRO A 101 3.732 -23.401 -9.062 1.00 34.52 C ATOM 0 HA PRO A 101 4.102 -26.168 -10.744 1.00 23.44 H new ATOM 0 HB2 PRO A 101 6.487 -25.109 -9.791 1.00 11.43 H new ATOM 0 HB3 PRO A 101 5.593 -24.300 -11.063 1.00 11.43 H new ATOM 0 HG2 PRO A 101 5.634 -23.711 -8.108 1.00 42.25 H new ATOM 0 HG3 PRO A 101 5.684 -22.589 -9.454 1.00 42.25 H new ATOM 0 HD2 PRO A 101 3.380 -23.070 -8.085 1.00 34.52 H new ATOM 0 HD3 PRO A 101 3.364 -22.681 -9.793 1.00 34.52 H new