USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 832 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 Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 5 GLN : amide:sc= -26.9! C(o=-27!,f=-33!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.266 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -140:sc= -1.79 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0848 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.837 F(o=-4!,f=-0.84) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 150:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 86:sc= 0.656 USER MOD Single : A 53 MET CE :methyl 155:sc= -4.82! (180deg=-6.73!) USER MOD Single : A 54 MET CE :methyl 164:sc= -5.24 (180deg=-7.69!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 25:sc= 0.192 USER MOD Single : A 64 SER OG : rot -66:sc= 1.06 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 72 SER OG : rot -151:sc= -0.0531 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.977 K(o=-0.98,f=-4.7!) USER MOD Single : A 80 THR OG1 : rot -151:sc= -1.51 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 87 MET CE :methyl 134:sc= -0.18 (180deg=-0.949) USER MOD Single : A 89 THR OG1 : rot 116:sc= -0.893 USER MOD Single : A 92 TYR OH : rot -31:sc= 0.763 USER MOD Single : A 95 LYS NZ :NH3+ -146:sc= -2.31 (180deg=-4.7!) USER MOD Single : A 99 MET CE :methyl 133:sc= -0.0198 (180deg=-0.439) USER MOD Single : A 100 TYR OH : rot 180:sc= 0.108 USER MOD Single : A 104 TYR OH : rot 180:sc= -2.31! USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.017) USER MOD Single : A 113 THR OG1 : rot -40:sc= 0.187 USER MOD Single : A 114 GLN : amide:sc= -0.615 K(o=-0.61,f=-1.3) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N HIS A 2 -8.289 6.536 -0.175 1.00 0.00 N ATOM 31 CA HIS A 2 -8.869 5.160 -0.141 1.00 0.00 C ATOM 32 C HIS A 2 -7.824 4.117 -0.546 1.00 0.00 C ATOM 33 O HIS A 2 -7.162 4.246 -1.558 1.00 0.00 O ATOM 34 CB HIS A 2 -10.010 5.194 -1.158 1.00 0.00 C ATOM 35 CG HIS A 2 -11.061 6.167 -0.699 1.00 0.00 C ATOM 36 ND1 HIS A 2 -11.673 6.063 0.540 1.00 0.00 N ATOM 37 CD2 HIS A 2 -11.619 7.268 -1.301 1.00 0.00 C ATOM 38 CE1 HIS A 2 -12.553 7.074 0.645 1.00 0.00 C ATOM 39 NE2 HIS A 2 -12.561 7.840 -0.450 1.00 0.00 N ATOM 0 HA HIS A 2 -9.209 4.885 0.857 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -9.630 5.487 -2.137 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -10.443 4.200 -1.268 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -11.366 7.634 -2.285 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -13.177 7.246 1.509 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -13.134 8.666 -0.625 1.00 0.00 H new ATOM 47 N VAL A 3 -7.683 3.077 0.238 1.00 0.00 N ATOM 48 CA VAL A 3 -6.695 2.007 -0.091 1.00 0.00 C ATOM 49 C VAL A 3 -7.439 0.688 -0.341 1.00 0.00 C ATOM 50 O VAL A 3 -8.246 0.264 0.464 1.00 0.00 O ATOM 51 CB VAL A 3 -5.794 1.905 1.146 1.00 0.00 C ATOM 52 CG1 VAL A 3 -4.759 0.794 0.947 1.00 0.00 C ATOM 53 CG2 VAL A 3 -5.070 3.238 1.360 1.00 0.00 C ATOM 0 H VAL A 3 -8.213 2.924 1.096 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.115 2.224 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.407 1.674 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.123 0.727 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.270 -0.157 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.146 1.020 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.429 3.167 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.462 3.466 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.803 4.031 1.509 1.00 0.00 H new ATOM 63 N ALA A 4 -7.180 0.045 -1.453 1.00 0.00 N ATOM 64 CA ALA A 4 -7.883 -1.241 -1.759 1.00 0.00 C ATOM 65 C ALA A 4 -6.909 -2.418 -1.699 1.00 0.00 C ATOM 66 O ALA A 4 -5.861 -2.397 -2.313 1.00 0.00 O ATOM 67 CB ALA A 4 -8.423 -1.072 -3.176 1.00 0.00 C ATOM 0 H ALA A 4 -6.514 0.354 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.674 -1.451 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.953 -1.977 -3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.107 -0.224 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.595 -0.895 -3.862 1.00 0.00 H new ATOM 73 N GLN A 5 -7.256 -3.444 -0.965 1.00 0.00 N ATOM 74 CA GLN A 5 -6.356 -4.634 -0.859 1.00 0.00 C ATOM 75 C GLN A 5 -7.162 -5.948 -0.894 1.00 0.00 C ATOM 76 O GLN A 5 -8.122 -6.089 -0.162 1.00 0.00 O ATOM 77 CB GLN A 5 -5.673 -4.484 0.504 1.00 0.00 C ATOM 78 CG GLN A 5 -4.741 -3.271 0.490 1.00 0.00 C ATOM 79 CD GLN A 5 -3.612 -3.506 -0.512 1.00 0.00 C ATOM 80 OE1 GLN A 5 -3.570 -2.883 -1.550 1.00 0.00 O ATOM 81 NE2 GLN A 5 -2.688 -4.388 -0.243 1.00 0.00 N ATOM 0 H GLN A 5 -8.124 -3.510 -0.434 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.650 -4.677 -1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.424 -4.367 1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.107 -5.386 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.299 -2.374 0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.329 -3.104 1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.723 -4.913 0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.931 -4.552 -0.907 1.00 0.00 H new ATOM 90 N PRO A 6 -6.734 -6.892 -1.713 1.00 0.00 N ATOM 91 CA PRO A 6 -7.430 -8.203 -1.773 1.00 0.00 C ATOM 92 C PRO A 6 -7.086 -9.019 -0.531 1.00 0.00 C ATOM 93 O PRO A 6 -5.956 -9.031 -0.084 1.00 0.00 O ATOM 94 CB PRO A 6 -6.870 -8.856 -3.034 1.00 0.00 C ATOM 95 CG PRO A 6 -5.536 -8.217 -3.249 1.00 0.00 C ATOM 96 CD PRO A 6 -5.593 -6.837 -2.644 1.00 0.00 C ATOM 0 HA PRO A 6 -8.517 -8.121 -1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.774 -9.935 -2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.527 -8.691 -3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.748 -8.808 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.305 -8.160 -4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.667 -6.593 -2.124 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.740 -6.074 -3.408 1.00 0.00 H new ATOM 104 N ALA A 7 -8.048 -9.698 0.032 1.00 0.00 N ATOM 105 CA ALA A 7 -7.766 -10.512 1.249 1.00 0.00 C ATOM 106 C ALA A 7 -6.915 -11.718 0.876 1.00 0.00 C ATOM 107 O ALA A 7 -6.085 -12.155 1.653 1.00 0.00 O ATOM 108 CB ALA A 7 -9.132 -10.948 1.780 1.00 0.00 C ATOM 0 H ALA A 7 -9.013 -9.725 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.213 -9.951 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.998 -11.552 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.727 -10.067 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.647 -11.536 1.020 1.00 0.00 H new ATOM 114 N VAL A 8 -7.103 -12.257 -0.304 1.00 0.00 N ATOM 115 CA VAL A 8 -6.290 -13.422 -0.702 1.00 0.00 C ATOM 116 C VAL A 8 -6.131 -13.502 -2.214 1.00 0.00 C ATOM 117 O VAL A 8 -6.948 -13.016 -2.974 1.00 0.00 O ATOM 118 CB VAL A 8 -7.031 -14.648 -0.143 1.00 0.00 C ATOM 119 CG1 VAL A 8 -8.229 -15.108 -1.009 1.00 0.00 C ATOM 120 CG2 VAL A 8 -6.050 -15.795 -0.035 1.00 0.00 C ATOM 0 H VAL A 8 -7.781 -11.936 -0.996 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.276 -13.356 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.436 -14.355 0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.699 -15.977 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.956 -14.299 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.877 -15.372 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.560 -16.674 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.647 -16.023 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.236 -15.516 0.634 1.00 0.00 H new ATOM 130 N VAL A 9 -5.098 -14.152 -2.631 1.00 0.00 N ATOM 131 CA VAL A 9 -4.850 -14.340 -4.075 1.00 0.00 C ATOM 132 C VAL A 9 -4.530 -15.814 -4.334 1.00 0.00 C ATOM 133 O VAL A 9 -4.093 -16.524 -3.451 1.00 0.00 O ATOM 134 CB VAL A 9 -3.674 -13.413 -4.390 1.00 0.00 C ATOM 135 CG1 VAL A 9 -2.963 -13.821 -5.688 1.00 0.00 C ATOM 136 CG2 VAL A 9 -4.205 -11.991 -4.546 1.00 0.00 C ATOM 0 H VAL A 9 -4.398 -14.571 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.703 -14.098 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.955 -13.479 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.134 -13.140 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.582 -14.838 -5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.668 -13.776 -6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.379 -11.317 -4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.930 -11.961 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.686 -11.679 -3.619 1.00 0.00 H new ATOM 146 N LEU A 10 -4.752 -16.272 -5.534 1.00 0.00 N ATOM 147 CA LEU A 10 -4.465 -17.703 -5.850 1.00 0.00 C ATOM 148 C LEU A 10 -3.292 -17.796 -6.829 1.00 0.00 C ATOM 149 O LEU A 10 -3.270 -17.131 -7.848 1.00 0.00 O ATOM 150 CB LEU A 10 -5.753 -18.240 -6.481 1.00 0.00 C ATOM 151 CG LEU A 10 -6.912 -18.107 -5.483 1.00 0.00 C ATOM 152 CD1 LEU A 10 -8.214 -18.555 -6.154 1.00 0.00 C ATOM 153 CD2 LEU A 10 -6.643 -18.974 -4.240 1.00 0.00 C ATOM 0 H LEU A 10 -5.119 -15.720 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.185 -18.278 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.980 -17.688 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.623 -19.284 -6.765 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.000 -17.066 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.038 -18.461 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.409 -17.928 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.122 -19.595 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.471 -18.872 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.547 -20.018 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.720 -18.647 -3.761 1.00 0.00 H new ATOM 165 N ALA A 11 -2.318 -18.615 -6.523 1.00 0.00 N ATOM 166 CA ALA A 11 -1.137 -18.755 -7.427 1.00 0.00 C ATOM 167 C ALA A 11 -1.451 -19.734 -8.564 1.00 0.00 C ATOM 168 O ALA A 11 -2.226 -20.658 -8.404 1.00 0.00 O ATOM 169 CB ALA A 11 -0.016 -19.294 -6.537 1.00 0.00 C ATOM 0 H ALA A 11 -2.290 -19.194 -5.684 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.861 -17.811 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.889 -19.424 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.178 -18.588 -5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.315 -20.254 -6.116 1.00 0.00 H new ATOM 175 N SER A 12 -0.859 -19.526 -9.712 1.00 0.00 N ATOM 176 CA SER A 12 -1.117 -20.428 -10.876 1.00 0.00 C ATOM 177 C SER A 12 -0.129 -21.599 -10.882 1.00 0.00 C ATOM 178 O SER A 12 0.758 -21.682 -10.053 1.00 0.00 O ATOM 179 CB SER A 12 -0.911 -19.549 -12.108 1.00 0.00 C ATOM 180 OG SER A 12 -1.045 -20.343 -13.279 1.00 0.00 O ATOM 0 H SER A 12 -0.204 -18.766 -9.895 1.00 0.00 H new ATOM 0 HA SER A 12 -2.116 -20.863 -10.843 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.641 -18.740 -12.118 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.076 -19.087 -12.079 1.00 0.00 H new ATOM 0 HG SER A 12 -0.915 -19.781 -14.072 1.00 0.00 H new ATOM 186 N SER A 13 -0.281 -22.505 -11.817 1.00 0.00 N ATOM 187 CA SER A 13 0.641 -23.683 -11.893 1.00 0.00 C ATOM 188 C SER A 13 2.085 -23.211 -12.089 1.00 0.00 C ATOM 189 O SER A 13 3.020 -23.838 -11.628 1.00 0.00 O ATOM 190 CB SER A 13 0.173 -24.484 -13.109 1.00 0.00 C ATOM 191 OG SER A 13 0.936 -25.679 -13.206 1.00 0.00 O ATOM 0 H SER A 13 -1.006 -22.480 -12.534 1.00 0.00 H new ATOM 0 HA SER A 13 0.619 -24.280 -10.981 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.887 -24.722 -13.016 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.288 -23.891 -14.016 1.00 0.00 H new ATOM 0 HG SER A 13 0.638 -26.196 -13.984 1.00 0.00 H new ATOM 197 N ARG A 14 2.267 -22.105 -12.764 1.00 0.00 N ATOM 198 CA ARG A 14 3.649 -21.574 -12.992 1.00 0.00 C ATOM 199 C ARG A 14 4.329 -21.287 -11.652 1.00 0.00 C ATOM 200 O ARG A 14 5.539 -21.343 -11.535 1.00 0.00 O ATOM 201 CB ARG A 14 3.456 -20.275 -13.779 1.00 0.00 C ATOM 202 CG ARG A 14 4.821 -19.686 -14.144 1.00 0.00 C ATOM 203 CD ARG A 14 5.342 -20.345 -15.426 1.00 0.00 C ATOM 204 NE ARG A 14 5.985 -21.623 -14.984 1.00 0.00 N ATOM 205 CZ ARG A 14 6.384 -22.527 -15.858 1.00 0.00 C ATOM 206 NH1 ARG A 14 6.236 -22.348 -17.151 1.00 0.00 N ATOM 207 NH2 ARG A 14 6.941 -23.626 -15.427 1.00 0.00 N ATOM 0 H ARG A 14 1.518 -21.544 -13.169 1.00 0.00 H new ATOM 0 HA ARG A 14 4.279 -22.284 -13.528 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.879 -20.469 -14.683 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.887 -19.560 -13.185 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.737 -18.609 -14.286 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.527 -19.846 -13.329 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.530 -20.536 -16.127 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.058 -19.701 -15.936 1.00 0.00 H new ATOM 0 HE ARG A 14 6.117 -21.798 -13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.803 -21.493 -17.501 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.554 -23.064 -17.805 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.063 -23.777 -14.426 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.254 -24.334 -16.092 1.00 0.00 H new ATOM 221 N GLY A 15 3.557 -20.968 -10.647 1.00 0.00 N ATOM 222 CA GLY A 15 4.143 -20.661 -9.310 1.00 0.00 C ATOM 223 C GLY A 15 4.321 -19.147 -9.170 1.00 0.00 C ATOM 224 O GLY A 15 5.118 -18.679 -8.379 1.00 0.00 O ATOM 0 H GLY A 15 2.540 -20.907 -10.696 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.492 -21.037 -8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.104 -21.163 -9.197 1.00 0.00 H new ATOM 228 N ILE A 16 3.576 -18.378 -9.929 1.00 0.00 N ATOM 229 CA ILE A 16 3.681 -16.903 -9.845 1.00 0.00 C ATOM 230 C ILE A 16 2.371 -16.318 -9.319 1.00 0.00 C ATOM 231 O ILE A 16 1.341 -16.376 -9.964 1.00 0.00 O ATOM 232 CB ILE A 16 4.000 -16.430 -11.283 1.00 0.00 C ATOM 233 CG1 ILE A 16 5.491 -16.623 -11.559 1.00 0.00 C ATOM 234 CG2 ILE A 16 3.668 -14.939 -11.469 1.00 0.00 C ATOM 235 CD1 ILE A 16 5.872 -18.100 -11.554 1.00 0.00 C ATOM 0 H ILE A 16 2.896 -18.722 -10.607 1.00 0.00 H new ATOM 0 HA ILE A 16 4.457 -16.573 -9.155 1.00 0.00 H new ATOM 0 HB ILE A 16 3.393 -17.018 -11.971 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.744 -16.184 -12.524 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.074 -16.093 -10.805 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.904 -14.638 -12.490 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.607 -14.776 -11.278 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.258 -14.345 -10.771 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.939 -18.201 -11.753 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.642 -18.532 -10.580 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.307 -18.624 -12.325 1.00 0.00 H new ATOM 247 N ALA A 17 2.431 -15.729 -8.164 1.00 0.00 N ATOM 248 CA ALA A 17 1.219 -15.093 -7.576 1.00 0.00 C ATOM 249 C ALA A 17 1.388 -13.579 -7.629 1.00 0.00 C ATOM 250 O ALA A 17 2.360 -13.041 -7.132 1.00 0.00 O ATOM 251 CB ALA A 17 1.156 -15.572 -6.129 1.00 0.00 C ATOM 0 H ALA A 17 3.274 -15.658 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 17 0.307 -15.354 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.284 -15.138 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.080 -16.659 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.059 -15.261 -5.603 1.00 0.00 H new ATOM 257 N SER A 18 0.462 -12.891 -8.239 1.00 0.00 N ATOM 258 CA SER A 18 0.586 -11.410 -8.337 1.00 0.00 C ATOM 259 C SER A 18 -0.725 -10.724 -7.955 1.00 0.00 C ATOM 260 O SER A 18 -1.803 -11.249 -8.157 1.00 0.00 O ATOM 261 CB SER A 18 0.917 -11.143 -9.805 1.00 0.00 C ATOM 262 OG SER A 18 -0.175 -11.558 -10.615 1.00 0.00 O ATOM 0 H SER A 18 -0.372 -13.289 -8.672 1.00 0.00 H new ATOM 0 HA SER A 18 1.347 -11.021 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.116 -10.082 -9.958 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.821 -11.681 -10.090 1.00 0.00 H new ATOM 0 HG SER A 18 0.033 -11.387 -11.557 1.00 0.00 H new ATOM 268 N PHE A 19 -0.623 -9.539 -7.422 1.00 0.00 N ATOM 269 CA PHE A 19 -1.835 -8.766 -7.032 1.00 0.00 C ATOM 270 C PHE A 19 -1.523 -7.278 -7.109 1.00 0.00 C ATOM 271 O PHE A 19 -0.373 -6.884 -7.167 1.00 0.00 O ATOM 272 CB PHE A 19 -2.176 -9.196 -5.602 1.00 0.00 C ATOM 273 CG PHE A 19 -0.995 -8.982 -4.681 1.00 0.00 C ATOM 274 CD1 PHE A 19 0.048 -9.946 -4.641 1.00 0.00 C ATOM 275 CD2 PHE A 19 -0.930 -7.830 -3.849 1.00 0.00 C ATOM 276 CE1 PHE A 19 1.155 -9.761 -3.772 1.00 0.00 C ATOM 277 CE2 PHE A 19 0.178 -7.646 -2.976 1.00 0.00 C ATOM 278 CZ PHE A 19 1.221 -8.612 -2.939 1.00 0.00 C ATOM 0 H PHE A 19 0.262 -9.066 -7.237 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.681 -8.955 -7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.033 -8.627 -5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.465 -10.247 -5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.002 -10.821 -5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.721 -7.096 -3.880 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.948 -10.494 -3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.227 -6.773 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.063 -8.472 -2.278 1.00 0.00 H new ATOM 288 N VAL A 20 -2.532 -6.452 -7.134 1.00 0.00 N ATOM 289 CA VAL A 20 -2.280 -4.987 -7.236 1.00 0.00 C ATOM 290 C VAL A 20 -2.841 -4.240 -6.022 1.00 0.00 C ATOM 291 O VAL A 20 -4.021 -4.292 -5.735 1.00 0.00 O ATOM 292 CB VAL A 20 -2.986 -4.553 -8.522 1.00 0.00 C ATOM 293 CG1 VAL A 20 -2.821 -3.044 -8.726 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.372 -5.290 -9.715 1.00 0.00 C ATOM 0 H VAL A 20 -3.514 -6.725 -7.089 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.214 -4.760 -7.258 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.046 -4.793 -8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.327 -2.743 -9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.258 -2.513 -7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.761 -2.800 -8.799 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.875 -4.981 -10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.311 -5.050 -9.784 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.492 -6.365 -9.580 1.00 0.00 H new ATOM 304 N CYS A 21 -1.994 -3.523 -5.332 1.00 0.00 N ATOM 305 CA CYS A 21 -2.450 -2.733 -4.153 1.00 0.00 C ATOM 306 C CYS A 21 -2.601 -1.271 -4.574 1.00 0.00 C ATOM 307 O CYS A 21 -1.629 -0.548 -4.685 1.00 0.00 O ATOM 308 CB CYS A 21 -1.333 -2.892 -3.123 1.00 0.00 C ATOM 309 SG CYS A 21 -1.711 -1.912 -1.650 1.00 0.00 S ATOM 0 H CYS A 21 -0.997 -3.451 -5.537 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.409 -3.062 -3.752 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.222 -3.942 -2.853 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.383 -2.571 -3.551 1.00 0.00 H new ATOM 314 N GLU A 22 -3.805 -0.836 -4.833 1.00 0.00 N ATOM 315 CA GLU A 22 -3.998 0.572 -5.282 1.00 0.00 C ATOM 316 C GLU A 22 -3.965 1.542 -4.100 1.00 0.00 C ATOM 317 O GLU A 22 -4.338 1.207 -2.992 1.00 0.00 O ATOM 318 CB GLU A 22 -5.352 0.590 -5.999 1.00 0.00 C ATOM 319 CG GLU A 22 -6.486 0.357 -5.016 1.00 0.00 C ATOM 320 CD GLU A 22 -7.801 0.242 -5.793 1.00 0.00 C ATOM 321 OE1 GLU A 22 -8.281 1.263 -6.258 1.00 0.00 O ATOM 322 OE2 GLU A 22 -8.305 -0.862 -5.910 1.00 0.00 O ATOM 0 H GLU A 22 -4.657 -1.391 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.197 0.899 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.490 1.548 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.370 -0.179 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.307 -0.552 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.541 1.179 -4.302 1.00 0.00 H new ATOM 329 N TYR A 23 -3.523 2.747 -4.346 1.00 0.00 N ATOM 330 CA TYR A 23 -3.458 3.762 -3.276 1.00 0.00 C ATOM 331 C TYR A 23 -4.070 5.062 -3.816 1.00 0.00 C ATOM 332 O TYR A 23 -4.404 5.155 -4.983 1.00 0.00 O ATOM 333 CB TYR A 23 -1.956 3.904 -2.943 1.00 0.00 C ATOM 334 CG TYR A 23 -1.207 4.578 -4.073 1.00 0.00 C ATOM 335 CD1 TYR A 23 -1.156 5.996 -4.132 1.00 0.00 C ATOM 336 CD2 TYR A 23 -0.558 3.800 -5.068 1.00 0.00 C ATOM 337 CE1 TYR A 23 -0.456 6.639 -5.185 1.00 0.00 C ATOM 338 CE2 TYR A 23 0.143 4.443 -6.125 1.00 0.00 C ATOM 339 CZ TYR A 23 0.195 5.863 -6.183 1.00 0.00 C ATOM 340 OH TYR A 23 0.875 6.488 -7.208 1.00 0.00 O ATOM 0 H TYR A 23 -3.201 3.067 -5.260 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.012 3.499 -2.375 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.837 4.483 -2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.528 2.919 -2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.651 6.586 -3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.597 2.722 -5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.418 7.717 -5.229 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.636 3.853 -6.884 1.00 0.00 H new ATOM 0 HH TYR A 23 1.263 5.813 -7.803 1.00 0.00 H new ATOM 350 N ALA A 24 -4.227 6.050 -2.986 1.00 0.00 N ATOM 351 CA ALA A 24 -4.832 7.336 -3.455 1.00 0.00 C ATOM 352 C ALA A 24 -4.000 8.537 -2.998 1.00 0.00 C ATOM 353 O ALA A 24 -3.813 8.758 -1.816 1.00 0.00 O ATOM 354 CB ALA A 24 -6.220 7.373 -2.812 1.00 0.00 C ATOM 0 H ALA A 24 -3.964 6.029 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.875 7.389 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.733 8.289 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.798 6.510 -3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.119 7.346 -1.727 1.00 0.00 H new ATOM 360 N SER A 25 -3.513 9.324 -3.928 1.00 0.00 N ATOM 361 CA SER A 25 -2.708 10.524 -3.553 1.00 0.00 C ATOM 362 C SER A 25 -2.834 11.627 -4.615 1.00 0.00 C ATOM 363 O SER A 25 -3.022 11.341 -5.781 1.00 0.00 O ATOM 364 CB SER A 25 -1.267 10.046 -3.457 1.00 0.00 C ATOM 365 OG SER A 25 -0.412 11.168 -3.283 1.00 0.00 O ATOM 0 H SER A 25 -3.640 9.185 -4.930 1.00 0.00 H new ATOM 0 HA SER A 25 -3.057 10.952 -2.613 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.155 9.356 -2.621 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.992 9.500 -4.360 1.00 0.00 H new ATOM 0 HG SER A 25 0.402 11.044 -3.814 1.00 0.00 H new ATOM 371 N PRO A 26 -2.724 12.862 -4.175 1.00 0.00 N ATOM 372 CA PRO A 26 -2.827 14.013 -5.106 1.00 0.00 C ATOM 373 C PRO A 26 -1.541 14.170 -5.928 1.00 0.00 C ATOM 374 O PRO A 26 -0.455 13.891 -5.458 1.00 0.00 O ATOM 375 CB PRO A 26 -3.011 15.210 -4.178 1.00 0.00 C ATOM 376 CG PRO A 26 -2.394 14.798 -2.877 1.00 0.00 C ATOM 377 CD PRO A 26 -2.495 13.297 -2.788 1.00 0.00 C ATOM 0 HA PRO A 26 -3.637 13.898 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.524 16.098 -4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.066 15.453 -4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.353 15.117 -2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.911 15.268 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.583 12.861 -2.380 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.313 12.992 -2.136 1.00 0.00 H new ATOM 385 N GLY A 27 -1.661 14.640 -7.145 1.00 0.00 N ATOM 386 CA GLY A 27 -0.457 14.854 -8.009 1.00 0.00 C ATOM 387 C GLY A 27 0.375 13.571 -8.125 1.00 0.00 C ATOM 388 O GLY A 27 0.011 12.528 -7.617 1.00 0.00 O ATOM 0 H GLY A 27 -2.549 14.887 -7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.771 15.179 -9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.157 15.652 -7.592 1.00 0.00 H new ATOM 392 N LYS A 28 1.498 13.657 -8.795 1.00 0.00 N ATOM 393 CA LYS A 28 2.384 12.465 -8.964 1.00 0.00 C ATOM 394 C LYS A 28 3.832 12.844 -8.627 1.00 0.00 C ATOM 395 O LYS A 28 4.188 14.008 -8.629 1.00 0.00 O ATOM 396 CB LYS A 28 2.254 12.090 -10.441 1.00 0.00 C ATOM 397 CG LYS A 28 0.813 11.667 -10.733 1.00 0.00 C ATOM 398 CD LYS A 28 0.655 11.387 -12.229 1.00 0.00 C ATOM 399 CE LYS A 28 -0.809 11.061 -12.535 1.00 0.00 C ATOM 400 NZ LYS A 28 -0.867 10.906 -14.015 1.00 0.00 N ATOM 0 H LYS A 28 1.841 14.510 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 28 2.109 11.638 -8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.530 12.938 -11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.939 11.278 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.561 10.777 -10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.123 12.452 -10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.974 12.254 -12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.293 10.554 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.124 10.148 -12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.470 11.858 -12.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.841 10.681 -14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.568 11.793 -14.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.233 10.136 -14.309 1.00 0.00 H new ATOM 414 N ALA A 29 4.667 11.876 -8.331 1.00 0.00 N ATOM 415 CA ALA A 29 6.089 12.191 -7.985 1.00 0.00 C ATOM 416 C ALA A 29 7.027 11.060 -8.427 1.00 0.00 C ATOM 417 O ALA A 29 6.591 10.004 -8.843 1.00 0.00 O ATOM 418 CB ALA A 29 6.102 12.329 -6.463 1.00 0.00 C ATOM 0 H ALA A 29 4.426 10.885 -8.314 1.00 0.00 H new ATOM 0 HA ALA A 29 6.437 13.094 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.113 12.561 -6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.427 13.132 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.775 11.393 -6.010 1.00 0.00 H new ATOM 424 N THR A 30 8.316 11.281 -8.330 1.00 0.00 N ATOM 425 CA THR A 30 9.305 10.230 -8.731 1.00 0.00 C ATOM 426 C THR A 30 9.609 9.263 -7.614 1.00 0.00 C ATOM 427 O THR A 30 10.383 8.354 -7.811 1.00 0.00 O ATOM 428 CB THR A 30 10.609 10.962 -9.024 1.00 0.00 C ATOM 429 OG1 THR A 30 10.805 12.001 -8.077 1.00 0.00 O ATOM 430 CG2 THR A 30 10.627 11.498 -10.431 1.00 0.00 C ATOM 0 H THR A 30 8.728 12.149 -7.988 1.00 0.00 H new ATOM 0 HA THR A 30 8.895 9.672 -9.573 1.00 0.00 H new ATOM 0 HB THR A 30 11.432 10.253 -8.937 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.646 12.466 -8.271 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.569 12.015 -10.611 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.525 10.673 -11.136 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.799 12.194 -10.566 1.00 0.00 H new ATOM 438 N GLU A 31 9.106 9.470 -6.431 1.00 0.00 N ATOM 439 CA GLU A 31 9.504 8.549 -5.335 1.00 0.00 C ATOM 440 C GLU A 31 8.307 7.979 -4.572 1.00 0.00 C ATOM 441 O GLU A 31 8.044 8.360 -3.443 1.00 0.00 O ATOM 442 CB GLU A 31 10.344 9.421 -4.398 1.00 0.00 C ATOM 443 CG GLU A 31 11.564 10.018 -5.127 1.00 0.00 C ATOM 444 CD GLU A 31 12.813 9.200 -4.793 1.00 0.00 C ATOM 445 OE1 GLU A 31 12.680 8.005 -4.589 1.00 0.00 O ATOM 446 OE2 GLU A 31 13.883 9.784 -4.748 1.00 0.00 O ATOM 0 H GLU A 31 8.455 10.214 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 31 10.036 7.684 -5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.728 10.226 -3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.681 8.826 -3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.393 10.017 -6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.707 11.056 -4.828 1.00 0.00 H new ATOM 453 N VAL A 32 7.622 7.026 -5.142 1.00 0.00 N ATOM 454 CA VAL A 32 6.498 6.389 -4.401 1.00 0.00 C ATOM 455 C VAL A 32 7.093 5.183 -3.678 1.00 0.00 C ATOM 456 O VAL A 32 7.120 4.082 -4.194 1.00 0.00 O ATOM 457 CB VAL A 32 5.485 5.966 -5.460 1.00 0.00 C ATOM 458 CG1 VAL A 32 4.336 5.195 -4.796 1.00 0.00 C ATOM 459 CG2 VAL A 32 4.929 7.211 -6.155 1.00 0.00 C ATOM 0 H VAL A 32 7.790 6.664 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 32 6.011 7.037 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 32 5.973 5.324 -6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.614 4.894 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.731 4.309 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.846 5.834 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.205 6.912 -6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.442 7.851 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.744 7.758 -6.629 1.00 0.00 H new ATOM 469 N ARG A 33 7.620 5.409 -2.507 1.00 0.00 N ATOM 470 CA ARG A 33 8.284 4.307 -1.752 1.00 0.00 C ATOM 471 C ARG A 33 7.300 3.200 -1.393 1.00 0.00 C ATOM 472 O ARG A 33 6.304 3.428 -0.737 1.00 0.00 O ATOM 473 CB ARG A 33 8.833 4.967 -0.483 1.00 0.00 C ATOM 474 CG ARG A 33 9.749 3.980 0.246 1.00 0.00 C ATOM 475 CD ARG A 33 10.442 4.685 1.416 1.00 0.00 C ATOM 476 NE ARG A 33 11.826 4.973 0.928 1.00 0.00 N ATOM 477 CZ ARG A 33 12.762 4.044 0.921 1.00 0.00 C ATOM 478 NH1 ARG A 33 12.517 2.815 1.315 1.00 0.00 N ATOM 479 NH2 ARG A 33 13.960 4.351 0.503 1.00 0.00 N ATOM 0 H ARG A 33 7.620 6.314 -2.037 1.00 0.00 H new ATOM 0 HA ARG A 33 9.065 3.834 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.385 5.871 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.012 5.268 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.169 3.133 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.493 3.582 -0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.921 5.602 1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.460 4.052 2.304 1.00 0.00 H new ATOM 0 HE ARG A 33 12.051 5.910 0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.584 2.559 1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.260 2.117 1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.162 5.300 0.187 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.694 3.642 0.492 1.00 0.00 H new ATOM 493 N VAL A 34 7.593 1.994 -1.804 1.00 0.00 N ATOM 494 CA VAL A 34 6.707 0.852 -1.474 1.00 0.00 C ATOM 495 C VAL A 34 7.530 -0.257 -0.825 1.00 0.00 C ATOM 496 O VAL A 34 8.741 -0.295 -0.942 1.00 0.00 O ATOM 497 CB VAL A 34 6.111 0.377 -2.799 1.00 0.00 C ATOM 498 CG1 VAL A 34 5.239 1.483 -3.396 1.00 0.00 C ATOM 499 CG2 VAL A 34 7.229 0.012 -3.786 1.00 0.00 C ATOM 0 H VAL A 34 8.415 1.755 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 34 5.920 1.134 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 34 5.502 -0.508 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.815 1.142 -4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.433 1.725 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.846 2.371 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.790 -0.325 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.852 0.887 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.840 -0.786 -3.365 1.00 0.00 H new ATOM 509 N THR A 35 6.880 -1.153 -0.144 1.00 0.00 N ATOM 510 CA THR A 35 7.611 -2.271 0.522 1.00 0.00 C ATOM 511 C THR A 35 6.699 -3.489 0.655 1.00 0.00 C ATOM 512 O THR A 35 5.533 -3.369 0.984 1.00 0.00 O ATOM 513 CB THR A 35 7.998 -1.737 1.905 1.00 0.00 C ATOM 514 OG1 THR A 35 8.749 -0.540 1.754 1.00 0.00 O ATOM 515 CG2 THR A 35 8.843 -2.781 2.639 1.00 0.00 C ATOM 0 H THR A 35 5.868 -1.163 -0.017 1.00 0.00 H new ATOM 0 HA THR A 35 8.485 -2.586 -0.048 1.00 0.00 H new ATOM 0 HB THR A 35 7.096 -1.532 2.482 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.996 -0.195 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.118 -2.400 3.623 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.268 -3.700 2.753 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.746 -2.987 2.065 1.00 0.00 H new ATOM 523 N VAL A 36 7.226 -4.659 0.415 1.00 0.00 N ATOM 524 CA VAL A 36 6.404 -5.893 0.540 1.00 0.00 C ATOM 525 C VAL A 36 6.862 -6.671 1.778 1.00 0.00 C ATOM 526 O VAL A 36 8.043 -6.903 1.954 1.00 0.00 O ATOM 527 CB VAL A 36 6.668 -6.678 -0.751 1.00 0.00 C ATOM 528 CG1 VAL A 36 5.922 -8.015 -0.709 1.00 0.00 C ATOM 529 CG2 VAL A 36 6.176 -5.859 -1.951 1.00 0.00 C ATOM 0 H VAL A 36 8.195 -4.812 0.137 1.00 0.00 H new ATOM 0 HA VAL A 36 5.339 -5.695 0.662 1.00 0.00 H new ATOM 0 HB VAL A 36 7.737 -6.867 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.114 -8.568 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.269 -8.598 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.852 -7.832 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.362 -6.414 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.107 -5.672 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.709 -4.909 -1.986 1.00 0.00 H new ATOM 539 N LEU A 37 5.954 -7.053 2.654 1.00 0.00 N ATOM 540 CA LEU A 37 6.386 -7.792 3.880 1.00 0.00 C ATOM 541 C LEU A 37 5.657 -9.120 4.016 1.00 0.00 C ATOM 542 O LEU A 37 4.643 -9.352 3.394 1.00 0.00 O ATOM 543 CB LEU A 37 5.992 -6.897 5.053 1.00 0.00 C ATOM 544 CG LEU A 37 6.711 -5.555 4.963 1.00 0.00 C ATOM 545 CD1 LEU A 37 5.858 -4.485 5.660 1.00 0.00 C ATOM 546 CD2 LEU A 37 8.082 -5.661 5.652 1.00 0.00 C ATOM 0 H LEU A 37 4.951 -6.886 2.571 1.00 0.00 H new ATOM 0 HA LEU A 37 7.454 -8.008 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.913 -6.740 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.242 -7.388 5.993 1.00 0.00 H new ATOM 0 HG LEU A 37 6.858 -5.281 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.364 -3.521 5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.888 -4.416 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.716 -4.757 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.596 -4.702 5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.943 -5.929 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.679 -6.427 5.158 1.00 0.00 H new ATOM 558 N ARG A 38 6.161 -9.972 4.863 1.00 0.00 N ATOM 559 CA ARG A 38 5.498 -11.283 5.105 1.00 0.00 C ATOM 560 C ARG A 38 5.304 -11.464 6.611 1.00 0.00 C ATOM 561 O ARG A 38 6.258 -11.441 7.367 1.00 0.00 O ATOM 562 CB ARG A 38 6.460 -12.334 4.549 1.00 0.00 C ATOM 563 CG ARG A 38 5.848 -13.726 4.717 1.00 0.00 C ATOM 564 CD ARG A 38 6.815 -14.780 4.169 1.00 0.00 C ATOM 565 NE ARG A 38 8.026 -14.698 5.046 1.00 0.00 N ATOM 566 CZ ARG A 38 9.152 -15.303 4.720 1.00 0.00 C ATOM 567 NH1 ARG A 38 9.264 -15.998 3.611 1.00 0.00 N ATOM 568 NH2 ARG A 38 10.180 -15.208 5.518 1.00 0.00 N ATOM 0 H ARG A 38 7.012 -9.815 5.403 1.00 0.00 H new ATOM 0 HA ARG A 38 4.519 -11.360 4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.660 -12.138 3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.416 -12.280 5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.641 -13.919 5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.896 -13.782 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.372 -15.775 4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.068 -14.578 3.128 1.00 0.00 H new ATOM 0 HE ARG A 38 7.979 -14.163 5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.469 -16.080 2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.146 -16.456 3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.107 -14.671 6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.057 -15.671 5.278 1.00 0.00 H new ATOM 582 N GLN A 39 4.084 -11.634 7.055 1.00 0.00 N ATOM 583 CA GLN A 39 3.845 -11.805 8.520 1.00 0.00 C ATOM 584 C GLN A 39 3.577 -13.269 8.863 1.00 0.00 C ATOM 585 O GLN A 39 2.781 -13.936 8.229 1.00 0.00 O ATOM 586 CB GLN A 39 2.629 -10.934 8.846 1.00 0.00 C ATOM 587 CG GLN A 39 3.026 -9.459 8.784 1.00 0.00 C ATOM 588 CD GLN A 39 1.798 -8.582 9.043 1.00 0.00 C ATOM 589 OE1 GLN A 39 0.835 -8.550 8.164 1.00 0.00 O flip ATOM 590 NE2 GLN A 39 1.715 -7.920 10.058 1.00 0.00 N flip ATOM 0 H GLN A 39 3.248 -11.662 6.471 1.00 0.00 H new ATOM 0 HA GLN A 39 4.716 -11.509 9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.824 -11.135 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.249 -11.178 9.838 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.798 -9.249 9.525 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.450 -9.228 7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.468 -7.945 10.746 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.893 -7.340 10.222 1.00 0.00 H new ATOM 599 N ALA A 40 4.244 -13.763 9.871 1.00 0.00 N ATOM 600 CA ALA A 40 4.056 -15.180 10.290 1.00 0.00 C ATOM 601 C ALA A 40 3.116 -15.244 11.496 1.00 0.00 C ATOM 602 O ALA A 40 2.560 -14.244 11.910 1.00 0.00 O ATOM 603 CB ALA A 40 5.457 -15.666 10.664 1.00 0.00 C ATOM 0 H ALA A 40 4.919 -13.238 10.428 1.00 0.00 H new ATOM 0 HA ALA A 40 3.611 -15.796 9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.407 -16.706 10.986 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.114 -15.585 9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.850 -15.054 11.476 1.00 0.00 H new ATOM 609 N ASP A 41 2.938 -16.410 12.062 1.00 0.00 N ATOM 610 CA ASP A 41 2.026 -16.539 13.241 1.00 0.00 C ATOM 611 C ASP A 41 2.514 -15.668 14.403 1.00 0.00 C ATOM 612 O ASP A 41 1.731 -14.997 15.050 1.00 0.00 O ATOM 613 CB ASP A 41 2.075 -18.015 13.628 1.00 0.00 C ATOM 614 CG ASP A 41 1.326 -18.852 12.585 1.00 0.00 C ATOM 615 OD1 ASP A 41 0.415 -18.325 11.966 1.00 0.00 O ATOM 616 OD2 ASP A 41 1.675 -20.010 12.426 1.00 0.00 O ATOM 0 H ASP A 41 3.383 -17.277 11.761 1.00 0.00 H new ATOM 0 HA ASP A 41 1.014 -16.210 13.005 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.111 -18.347 13.698 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.627 -18.157 14.611 1.00 0.00 H new ATOM 621 N SER A 42 3.796 -15.673 14.675 1.00 0.00 N ATOM 622 CA SER A 42 4.327 -14.846 15.804 1.00 0.00 C ATOM 623 C SER A 42 5.529 -13.989 15.371 1.00 0.00 C ATOM 624 O SER A 42 6.048 -13.217 16.157 1.00 0.00 O ATOM 625 CB SER A 42 4.754 -15.861 16.863 1.00 0.00 C ATOM 626 OG SER A 42 3.627 -16.632 17.256 1.00 0.00 O ATOM 0 H SER A 42 4.496 -16.212 14.166 1.00 0.00 H new ATOM 0 HA SER A 42 3.576 -14.145 16.168 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.534 -16.511 16.466 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.176 -15.347 17.726 1.00 0.00 H new ATOM 0 HG SER A 42 3.898 -17.285 17.934 1.00 0.00 H new ATOM 632 N GLN A 43 5.983 -14.115 14.145 1.00 0.00 N ATOM 633 CA GLN A 43 7.157 -13.301 13.696 1.00 0.00 C ATOM 634 C GLN A 43 6.883 -12.645 12.342 1.00 0.00 C ATOM 635 O GLN A 43 6.123 -13.148 11.539 1.00 0.00 O ATOM 636 CB GLN A 43 8.309 -14.297 13.582 1.00 0.00 C ATOM 637 CG GLN A 43 8.722 -14.754 14.981 1.00 0.00 C ATOM 638 CD GLN A 43 9.808 -15.825 14.870 1.00 0.00 C ATOM 639 OE1 GLN A 43 9.628 -16.938 15.323 1.00 0.00 O ATOM 640 NE2 GLN A 43 10.936 -15.535 14.281 1.00 0.00 N ATOM 0 H GLN A 43 5.594 -14.742 13.441 1.00 0.00 H new ATOM 0 HA GLN A 43 7.377 -12.492 14.392 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.005 -15.155 12.982 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.155 -13.835 13.073 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.091 -13.906 15.558 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.859 -15.151 15.515 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.087 -14.601 13.901 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.666 -16.243 14.201 1.00 0.00 H new ATOM 649 N VAL A 44 7.511 -11.525 12.087 1.00 0.00 N ATOM 650 CA VAL A 44 7.309 -10.822 10.784 1.00 0.00 C ATOM 651 C VAL A 44 8.661 -10.366 10.223 1.00 0.00 C ATOM 652 O VAL A 44 9.512 -9.883 10.946 1.00 0.00 O ATOM 653 CB VAL A 44 6.424 -9.615 11.114 1.00 0.00 C ATOM 654 CG1 VAL A 44 6.189 -8.778 9.853 1.00 0.00 C ATOM 655 CG2 VAL A 44 5.078 -10.100 11.657 1.00 0.00 C ATOM 0 H VAL A 44 8.158 -11.066 12.728 1.00 0.00 H new ATOM 0 HA VAL A 44 6.850 -11.463 10.031 1.00 0.00 H new ATOM 0 HB VAL A 44 6.924 -9.003 11.864 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.559 -7.922 10.096 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.145 -8.426 9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.695 -9.389 9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.449 -9.241 11.891 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.584 -10.717 10.907 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.241 -10.688 12.560 1.00 0.00 H new ATOM 665 N THR A 45 8.857 -10.514 8.939 1.00 0.00 N ATOM 666 CA THR A 45 10.150 -10.090 8.315 1.00 0.00 C ATOM 667 C THR A 45 9.896 -9.355 6.993 1.00 0.00 C ATOM 668 O THR A 45 8.829 -9.450 6.417 1.00 0.00 O ATOM 669 CB THR A 45 10.917 -11.392 8.067 1.00 0.00 C ATOM 670 OG1 THR A 45 10.166 -12.222 7.193 1.00 0.00 O ATOM 671 CG2 THR A 45 11.153 -12.117 9.393 1.00 0.00 C ATOM 0 H THR A 45 8.176 -10.911 8.292 1.00 0.00 H new ATOM 0 HA THR A 45 10.705 -9.402 8.953 1.00 0.00 H new ATOM 0 HB THR A 45 11.881 -11.163 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.776 -12.776 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.699 -13.042 9.210 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.734 -11.479 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.194 -12.347 9.857 1.00 0.00 H new ATOM 679 N GLU A 46 10.876 -8.631 6.509 1.00 0.00 N ATOM 680 CA GLU A 46 10.707 -7.892 5.220 1.00 0.00 C ATOM 681 C GLU A 46 10.894 -8.844 4.039 1.00 0.00 C ATOM 682 O GLU A 46 11.562 -9.856 4.146 1.00 0.00 O ATOM 683 CB GLU A 46 11.794 -6.816 5.223 1.00 0.00 C ATOM 684 CG GLU A 46 11.456 -5.751 6.270 1.00 0.00 C ATOM 685 CD GLU A 46 12.591 -4.726 6.347 1.00 0.00 C ATOM 686 OE1 GLU A 46 13.729 -5.112 6.137 1.00 0.00 O ATOM 687 OE2 GLU A 46 12.301 -3.572 6.616 1.00 0.00 O ATOM 0 H GLU A 46 11.788 -8.520 6.953 1.00 0.00 H new ATOM 0 HA GLU A 46 9.712 -7.457 5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.763 -7.264 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.871 -6.359 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.521 -5.254 6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.308 -6.218 7.244 1.00 0.00 H new ATOM 694 N VAL A 47 10.291 -8.535 2.920 1.00 0.00 N ATOM 695 CA VAL A 47 10.410 -9.427 1.730 1.00 0.00 C ATOM 696 C VAL A 47 11.029 -8.669 0.544 1.00 0.00 C ATOM 697 O VAL A 47 11.965 -9.138 -0.074 1.00 0.00 O ATOM 698 CB VAL A 47 8.967 -9.851 1.432 1.00 0.00 C ATOM 699 CG1 VAL A 47 8.922 -10.726 0.183 1.00 0.00 C ATOM 700 CG2 VAL A 47 8.416 -10.643 2.622 1.00 0.00 C ATOM 0 H VAL A 47 9.720 -7.701 2.780 1.00 0.00 H new ATOM 0 HA VAL A 47 11.060 -10.284 1.907 1.00 0.00 H new ATOM 0 HB VAL A 47 8.362 -8.960 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.892 -11.021 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.312 -10.167 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 47 9.530 -11.617 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.390 -10.946 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.030 -11.529 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.435 -10.018 3.515 1.00 0.00 H new ATOM 710 N CYS A 48 10.511 -7.512 0.217 1.00 0.00 N ATOM 711 CA CYS A 48 11.075 -6.736 -0.932 1.00 0.00 C ATOM 712 C CYS A 48 10.760 -5.249 -0.770 1.00 0.00 C ATOM 713 O CYS A 48 9.641 -4.876 -0.476 1.00 0.00 O ATOM 714 CB CYS A 48 10.387 -7.316 -2.169 1.00 0.00 C ATOM 715 SG CYS A 48 9.956 -9.049 -1.862 1.00 0.00 S ATOM 0 H CYS A 48 9.724 -7.071 0.694 1.00 0.00 H new ATOM 0 HA CYS A 48 12.160 -6.815 -1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.490 -6.743 -2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.046 -7.242 -3.034 1.00 0.00 H new ATOM 720 N ALA A 49 11.742 -4.397 -0.942 1.00 0.00 N ATOM 721 CA ALA A 49 11.496 -2.933 -0.776 1.00 0.00 C ATOM 722 C ALA A 49 12.235 -2.121 -1.849 1.00 0.00 C ATOM 723 O ALA A 49 13.373 -2.395 -2.178 1.00 0.00 O ATOM 724 CB ALA A 49 12.037 -2.616 0.620 1.00 0.00 C ATOM 0 H ALA A 49 12.698 -4.652 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 49 10.442 -2.676 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.899 -1.556 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.499 -3.207 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.099 -2.859 0.663 1.00 0.00 H new ATOM 730 N ALA A 50 11.586 -1.118 -2.388 1.00 0.00 N ATOM 731 CA ALA A 50 12.227 -0.265 -3.436 1.00 0.00 C ATOM 732 C ALA A 50 11.357 0.970 -3.699 1.00 0.00 C ATOM 733 O ALA A 50 10.165 0.953 -3.451 1.00 0.00 O ATOM 734 CB ALA A 50 12.295 -1.148 -4.682 1.00 0.00 C ATOM 0 H ALA A 50 10.632 -0.852 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 50 13.214 0.090 -3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.755 -0.591 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.891 -2.035 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.288 -1.449 -4.970 1.00 0.00 H new ATOM 740 N THR A 51 11.934 2.037 -4.202 1.00 0.00 N ATOM 741 CA THR A 51 11.120 3.260 -4.478 1.00 0.00 C ATOM 742 C THR A 51 10.584 3.206 -5.906 1.00 0.00 C ATOM 743 O THR A 51 11.345 3.087 -6.848 1.00 0.00 O ATOM 744 CB THR A 51 12.076 4.456 -4.316 1.00 0.00 C ATOM 745 OG1 THR A 51 12.932 4.228 -3.205 1.00 0.00 O ATOM 746 CG2 THR A 51 11.260 5.725 -4.062 1.00 0.00 C ATOM 0 H THR A 51 12.925 2.112 -4.431 1.00 0.00 H new ATOM 0 HA THR A 51 10.268 3.340 -3.803 1.00 0.00 H new ATOM 0 HB THR A 51 12.670 4.572 -5.223 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.543 4.987 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.934 6.574 -3.947 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.593 5.903 -4.905 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.671 5.603 -3.153 1.00 0.00 H new ATOM 754 N TYR A 52 9.286 3.303 -6.085 1.00 0.00 N ATOM 755 CA TYR A 52 8.739 3.274 -7.467 1.00 0.00 C ATOM 756 C TYR A 52 9.138 4.568 -8.155 1.00 0.00 C ATOM 757 O TYR A 52 8.411 5.547 -8.132 1.00 0.00 O ATOM 758 CB TYR A 52 7.204 3.126 -7.310 1.00 0.00 C ATOM 759 CG TYR A 52 6.411 3.712 -8.491 1.00 0.00 C ATOM 760 CD1 TYR A 52 6.931 3.719 -9.828 1.00 0.00 C ATOM 761 CD2 TYR A 52 5.126 4.264 -8.241 1.00 0.00 C ATOM 762 CE1 TYR A 52 6.162 4.272 -10.887 1.00 0.00 C ATOM 763 CE2 TYR A 52 4.362 4.815 -9.305 1.00 0.00 C ATOM 764 CZ TYR A 52 4.879 4.818 -10.626 1.00 0.00 C ATOM 765 OH TYR A 52 4.135 5.354 -11.657 1.00 0.00 O ATOM 0 H TYR A 52 8.596 3.400 -5.340 1.00 0.00 H new ATOM 0 HA TYR A 52 9.119 2.455 -8.077 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.957 2.070 -7.204 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.891 3.620 -6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.907 3.304 -10.030 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.728 4.265 -7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.555 4.277 -11.893 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.386 5.232 -9.108 1.00 0.00 H new ATOM 0 HH TYR A 52 3.621 4.643 -12.093 1.00 0.00 H new ATOM 775 N MET A 53 10.270 4.561 -8.797 1.00 0.00 N ATOM 776 CA MET A 53 10.693 5.769 -9.532 1.00 0.00 C ATOM 777 C MET A 53 10.087 5.635 -10.920 1.00 0.00 C ATOM 778 O MET A 53 10.314 4.647 -11.593 1.00 0.00 O ATOM 779 CB MET A 53 12.221 5.726 -9.610 1.00 0.00 C ATOM 780 CG MET A 53 12.810 5.593 -8.207 1.00 0.00 C ATOM 781 SD MET A 53 12.027 6.803 -7.122 1.00 0.00 S ATOM 782 CE MET A 53 13.088 8.184 -7.587 1.00 0.00 C ATOM 0 H MET A 53 10.915 3.772 -8.841 1.00 0.00 H new ATOM 0 HA MET A 53 10.380 6.703 -9.066 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.539 4.886 -10.228 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.595 6.632 -10.086 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.648 4.585 -7.825 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.888 5.754 -8.235 1.00 0.00 H new ATOM 0 HE1 MET A 53 12.562 9.122 -7.410 1.00 0.00 H new ATOM 0 HE2 MET A 53 13.999 8.160 -6.989 1.00 0.00 H new ATOM 0 HE3 MET A 53 13.345 8.106 -8.643 1.00 0.00 H new ATOM 792 N MET A 54 9.298 6.575 -11.353 1.00 0.00 N ATOM 793 CA MET A 54 8.664 6.430 -12.697 1.00 0.00 C ATOM 794 C MET A 54 9.743 6.317 -13.785 1.00 0.00 C ATOM 795 O MET A 54 9.530 5.719 -14.823 1.00 0.00 O ATOM 796 CB MET A 54 7.827 7.695 -12.894 1.00 0.00 C ATOM 797 CG MET A 54 6.623 7.664 -11.950 1.00 0.00 C ATOM 798 SD MET A 54 7.009 8.602 -10.451 1.00 0.00 S ATOM 799 CE MET A 54 6.621 7.294 -9.262 1.00 0.00 C ATOM 0 H MET A 54 9.065 7.428 -10.845 1.00 0.00 H new ATOM 0 HA MET A 54 8.051 5.531 -12.764 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.434 8.579 -12.698 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.490 7.763 -13.928 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.749 8.090 -12.443 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.374 6.634 -11.694 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.050 7.545 -8.292 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.539 7.198 -9.167 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.040 6.350 -9.610 1.00 0.00 H new ATOM 809 N GLY A 55 10.896 6.894 -13.551 1.00 0.00 N ATOM 810 CA GLY A 55 11.994 6.836 -14.561 1.00 0.00 C ATOM 811 C GLY A 55 12.797 5.534 -14.420 1.00 0.00 C ATOM 812 O GLY A 55 13.164 4.921 -15.405 1.00 0.00 O ATOM 0 H GLY A 55 11.123 7.405 -12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.575 6.903 -15.565 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.656 7.692 -14.434 1.00 0.00 H new ATOM 816 N ASN A 56 13.094 5.119 -13.209 1.00 0.00 N ATOM 817 CA ASN A 56 13.901 3.868 -13.021 1.00 0.00 C ATOM 818 C ASN A 56 13.055 2.736 -12.427 1.00 0.00 C ATOM 819 O ASN A 56 12.112 2.962 -11.696 1.00 0.00 O ATOM 820 CB ASN A 56 15.014 4.259 -12.050 1.00 0.00 C ATOM 821 CG ASN A 56 15.914 5.311 -12.700 1.00 0.00 C ATOM 822 OD1 ASN A 56 16.448 5.096 -13.769 1.00 0.00 O ATOM 823 ND2 ASN A 56 16.106 6.451 -12.093 1.00 0.00 N ATOM 0 H ASN A 56 12.815 5.589 -12.348 1.00 0.00 H new ATOM 0 HA ASN A 56 14.283 3.496 -13.972 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.585 4.652 -11.128 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.600 3.381 -11.780 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.704 7.160 -12.517 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.658 6.632 -11.195 1.00 0.00 H new ATOM 830 N GLU A 57 13.403 1.513 -12.739 1.00 0.00 N ATOM 831 CA GLU A 57 12.643 0.339 -12.205 1.00 0.00 C ATOM 832 C GLU A 57 13.020 0.074 -10.743 1.00 0.00 C ATOM 833 O GLU A 57 14.127 0.351 -10.319 1.00 0.00 O ATOM 834 CB GLU A 57 13.059 -0.840 -13.087 1.00 0.00 C ATOM 835 CG GLU A 57 12.260 -2.083 -12.690 1.00 0.00 C ATOM 836 CD GLU A 57 12.602 -3.238 -13.635 1.00 0.00 C ATOM 837 OE1 GLU A 57 13.734 -3.294 -14.088 1.00 0.00 O ATOM 838 OE2 GLU A 57 11.725 -4.047 -13.891 1.00 0.00 O ATOM 0 H GLU A 57 14.187 1.275 -13.346 1.00 0.00 H new ATOM 0 HA GLU A 57 11.566 0.506 -12.227 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.884 -0.602 -14.136 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.127 -1.031 -12.977 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.489 -2.362 -11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.192 -1.870 -12.732 1.00 0.00 H new ATOM 845 N LEU A 58 12.104 -0.458 -9.971 1.00 0.00 N ATOM 846 CA LEU A 58 12.399 -0.744 -8.531 1.00 0.00 C ATOM 847 C LEU A 58 13.372 -1.922 -8.409 1.00 0.00 C ATOM 848 O LEU A 58 13.245 -2.915 -9.102 1.00 0.00 O ATOM 849 CB LEU A 58 11.050 -1.110 -7.909 1.00 0.00 C ATOM 850 CG LEU A 58 10.162 0.134 -7.836 1.00 0.00 C ATOM 851 CD1 LEU A 58 9.253 0.184 -9.067 1.00 0.00 C ATOM 852 CD2 LEU A 58 9.301 0.073 -6.572 1.00 0.00 C ATOM 0 H LEU A 58 11.163 -0.707 -10.276 1.00 0.00 H new ATOM 0 HA LEU A 58 12.862 0.109 -8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.562 -1.883 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.199 -1.522 -6.911 1.00 0.00 H new ATOM 0 HG LEU A 58 10.788 1.026 -7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.620 1.070 -9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.864 0.226 -9.969 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.627 -0.708 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.668 0.959 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.675 -0.819 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.946 0.035 -5.694 1.00 0.00 H new ATOM 864 N THR A 59 14.346 -1.813 -7.541 1.00 0.00 N ATOM 865 CA THR A 59 15.335 -2.898 -7.367 1.00 0.00 C ATOM 866 C THR A 59 15.289 -3.460 -5.941 1.00 0.00 C ATOM 867 O THR A 59 15.168 -2.726 -4.978 1.00 0.00 O ATOM 868 CB THR A 59 16.661 -2.200 -7.620 1.00 0.00 C ATOM 869 OG1 THR A 59 16.781 -1.086 -6.746 1.00 0.00 O ATOM 870 CG2 THR A 59 16.737 -1.734 -9.075 1.00 0.00 C ATOM 0 H THR A 59 14.492 -1.002 -6.940 1.00 0.00 H new ATOM 0 HA THR A 59 15.157 -3.745 -8.029 1.00 0.00 H new ATOM 0 HB THR A 59 17.478 -2.896 -7.432 1.00 0.00 H new ATOM 0 HG1 THR A 59 16.234 -1.237 -5.947 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.690 -1.235 -9.248 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.653 -2.595 -9.738 1.00 0.00 H new ATOM 0 HG23 THR A 59 15.922 -1.039 -9.278 1.00 0.00 H new ATOM 878 N PHE A 60 15.400 -4.757 -5.804 1.00 0.00 N ATOM 879 CA PHE A 60 15.380 -5.384 -4.445 1.00 0.00 C ATOM 880 C PHE A 60 16.796 -5.863 -4.099 1.00 0.00 C ATOM 881 O PHE A 60 17.321 -6.768 -4.721 1.00 0.00 O ATOM 882 CB PHE A 60 14.420 -6.570 -4.569 1.00 0.00 C ATOM 883 CG PHE A 60 13.048 -6.073 -4.972 1.00 0.00 C ATOM 884 CD1 PHE A 60 12.255 -5.342 -4.050 1.00 0.00 C ATOM 885 CD2 PHE A 60 12.554 -6.340 -6.276 1.00 0.00 C ATOM 886 CE1 PHE A 60 10.965 -4.878 -4.430 1.00 0.00 C ATOM 887 CE2 PHE A 60 11.265 -5.877 -6.658 1.00 0.00 C ATOM 888 CZ PHE A 60 10.471 -5.146 -5.734 1.00 0.00 C ATOM 0 H PHE A 60 15.504 -5.413 -6.578 1.00 0.00 H new ATOM 0 HA PHE A 60 15.062 -4.697 -3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 60 14.794 -7.277 -5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.360 -7.103 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.631 -5.138 -3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 60 13.158 -6.895 -6.978 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.362 -4.322 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.890 -6.081 -7.650 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.492 -4.794 -6.023 1.00 0.00 H new ATOM 898 N LEU A 61 17.426 -5.242 -3.135 1.00 0.00 N ATOM 899 CA LEU A 61 18.826 -5.631 -2.767 1.00 0.00 C ATOM 900 C LEU A 61 18.888 -7.029 -2.134 1.00 0.00 C ATOM 901 O LEU A 61 19.773 -7.807 -2.439 1.00 0.00 O ATOM 902 CB LEU A 61 19.284 -4.573 -1.760 1.00 0.00 C ATOM 903 CG LEU A 61 20.756 -4.803 -1.409 1.00 0.00 C ATOM 904 CD1 LEU A 61 21.401 -3.473 -1.013 1.00 0.00 C ATOM 905 CD2 LEU A 61 20.854 -5.784 -0.240 1.00 0.00 C ATOM 0 H LEU A 61 17.032 -4.480 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 61 19.463 -5.674 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.151 -3.576 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.672 -4.625 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 61 21.275 -5.215 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 61 22.449 -3.637 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 61 21.332 -2.773 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.882 -3.060 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 61 21.902 -5.948 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.334 -5.372 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.395 -6.732 -0.521 1.00 0.00 H new ATOM 917 N ASP A 62 17.981 -7.346 -1.242 1.00 0.00 N ATOM 918 CA ASP A 62 18.025 -8.688 -0.578 1.00 0.00 C ATOM 919 C ASP A 62 16.613 -9.249 -0.358 1.00 0.00 C ATOM 920 O ASP A 62 15.673 -8.868 -1.026 1.00 0.00 O ATOM 921 CB ASP A 62 18.739 -8.435 0.760 1.00 0.00 C ATOM 922 CG ASP A 62 17.914 -7.490 1.651 1.00 0.00 C ATOM 923 OD1 ASP A 62 16.885 -7.011 1.200 1.00 0.00 O ATOM 924 OD2 ASP A 62 18.332 -7.263 2.775 1.00 0.00 O ATOM 0 H ASP A 62 17.217 -6.739 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 62 18.542 -9.430 -1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 62 18.899 -9.381 1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 62 19.722 -8.002 0.576 1.00 0.00 H new ATOM 929 N ASP A 63 16.475 -10.168 0.571 1.00 0.00 N ATOM 930 CA ASP A 63 15.142 -10.791 0.857 1.00 0.00 C ATOM 931 C ASP A 63 14.578 -11.440 -0.408 1.00 0.00 C ATOM 932 O ASP A 63 13.494 -11.122 -0.853 1.00 0.00 O ATOM 933 CB ASP A 63 14.234 -9.661 1.350 1.00 0.00 C ATOM 934 CG ASP A 63 14.775 -9.100 2.669 1.00 0.00 C ATOM 935 OD1 ASP A 63 15.381 -9.856 3.411 1.00 0.00 O ATOM 936 OD2 ASP A 63 14.568 -7.923 2.916 1.00 0.00 O ATOM 0 H ASP A 63 17.239 -10.516 1.150 1.00 0.00 H new ATOM 0 HA ASP A 63 15.220 -11.578 1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.183 -8.870 0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.219 -10.033 1.491 1.00 0.00 H new ATOM 941 N SER A 64 15.323 -12.348 -0.981 1.00 0.00 N ATOM 942 CA SER A 64 14.881 -13.059 -2.226 1.00 0.00 C ATOM 943 C SER A 64 14.579 -12.061 -3.349 1.00 0.00 C ATOM 944 O SER A 64 14.478 -10.870 -3.126 1.00 0.00 O ATOM 945 CB SER A 64 13.626 -13.859 -1.838 1.00 0.00 C ATOM 946 OG SER A 64 12.466 -13.044 -1.964 1.00 0.00 O ATOM 0 H SER A 64 16.238 -12.635 -0.634 1.00 0.00 H new ATOM 0 HA SER A 64 15.662 -13.717 -2.606 1.00 0.00 H new ATOM 0 HB2 SER A 64 13.534 -14.737 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 64 13.717 -14.219 -0.813 1.00 0.00 H new ATOM 0 HG SER A 64 12.500 -12.322 -1.302 1.00 0.00 H new ATOM 952 N ILE A 67 14.449 -12.549 -4.557 1.00 0.00 N ATOM 953 CA ILE A 67 14.167 -11.648 -5.713 1.00 0.00 C ATOM 954 C ILE A 67 12.661 -11.385 -5.836 1.00 0.00 C ATOM 955 O ILE A 67 11.856 -12.297 -5.801 1.00 0.00 O ATOM 956 CB ILE A 67 14.699 -12.399 -6.932 1.00 0.00 C ATOM 957 CG1 ILE A 67 16.213 -12.549 -6.780 1.00 0.00 C ATOM 958 CG2 ILE A 67 14.389 -11.611 -8.213 1.00 0.00 C ATOM 959 CD1 ILE A 67 16.759 -13.381 -7.931 1.00 0.00 C ATOM 0 H ILE A 67 14.527 -13.538 -4.792 1.00 0.00 H new ATOM 0 HA ILE A 67 14.637 -10.671 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 67 14.224 -13.378 -7.000 1.00 0.00 H new ATOM 0 HG12 ILE A 67 16.687 -11.568 -6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 67 16.448 -13.026 -5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.772 -12.155 -9.076 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.311 -11.487 -8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.864 -10.631 -8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 67 17.838 -13.488 -7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 67 16.294 -14.367 -7.920 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.537 -12.885 -8.876 1.00 0.00 H new ATOM 971 N CYS A 68 12.285 -10.142 -5.986 1.00 0.00 N ATOM 972 CA CYS A 68 10.839 -9.796 -6.121 1.00 0.00 C ATOM 973 C CYS A 68 10.638 -8.889 -7.336 1.00 0.00 C ATOM 974 O CYS A 68 11.580 -8.326 -7.860 1.00 0.00 O ATOM 975 CB CYS A 68 10.491 -9.027 -4.844 1.00 0.00 C ATOM 976 SG CYS A 68 10.787 -10.071 -3.397 1.00 0.00 S ATOM 0 H CYS A 68 12.922 -9.346 -6.021 1.00 0.00 H new ATOM 0 HA CYS A 68 10.215 -10.680 -6.254 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.094 -8.121 -4.779 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.447 -8.714 -4.870 1.00 0.00 H new ATOM 981 N THR A 69 9.419 -8.729 -7.771 1.00 0.00 N ATOM 982 CA THR A 69 9.146 -7.834 -8.932 1.00 0.00 C ATOM 983 C THR A 69 7.916 -6.977 -8.621 1.00 0.00 C ATOM 984 O THR A 69 6.974 -7.437 -8.001 1.00 0.00 O ATOM 985 CB THR A 69 8.915 -8.763 -10.130 1.00 0.00 C ATOM 986 OG1 THR A 69 8.635 -7.984 -11.284 1.00 0.00 O ATOM 987 CG2 THR A 69 7.753 -9.714 -9.851 1.00 0.00 C ATOM 0 H THR A 69 8.597 -9.181 -7.371 1.00 0.00 H new ATOM 0 HA THR A 69 9.965 -7.147 -9.145 1.00 0.00 H new ATOM 0 HB THR A 69 9.814 -9.355 -10.299 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.489 -8.576 -12.051 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.602 -10.366 -10.711 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.980 -10.318 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.846 -9.137 -9.670 1.00 0.00 H new ATOM 995 N GLY A 70 7.926 -5.727 -9.015 1.00 0.00 N ATOM 996 CA GLY A 70 6.763 -4.846 -8.707 1.00 0.00 C ATOM 997 C GLY A 70 6.596 -3.773 -9.781 1.00 0.00 C ATOM 998 O GLY A 70 7.536 -3.376 -10.441 1.00 0.00 O ATOM 0 H GLY A 70 8.685 -5.283 -9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.855 -5.445 -8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.906 -4.375 -7.735 1.00 0.00 H new ATOM 1002 N THR A 71 5.391 -3.301 -9.942 1.00 0.00 N ATOM 1003 CA THR A 71 5.104 -2.244 -10.951 1.00 0.00 C ATOM 1004 C THR A 71 4.115 -1.249 -10.354 1.00 0.00 C ATOM 1005 O THR A 71 3.386 -1.574 -9.439 1.00 0.00 O ATOM 1006 CB THR A 71 4.465 -2.983 -12.114 1.00 0.00 C ATOM 1007 OG1 THR A 71 5.330 -4.020 -12.557 1.00 0.00 O ATOM 1008 CG2 THR A 71 4.177 -2.029 -13.276 1.00 0.00 C ATOM 0 H THR A 71 4.579 -3.609 -9.407 1.00 0.00 H new ATOM 0 HA THR A 71 5.993 -1.693 -11.259 1.00 0.00 H new ATOM 0 HB THR A 71 3.522 -3.409 -11.772 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.914 -4.495 -13.306 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.720 -2.582 -14.096 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.497 -1.245 -12.943 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.109 -1.579 -13.617 1.00 0.00 H new ATOM 1016 N SER A 72 4.076 -0.051 -10.861 1.00 0.00 N ATOM 1017 CA SER A 72 3.116 0.956 -10.321 1.00 0.00 C ATOM 1018 C SER A 72 2.619 1.877 -11.439 1.00 0.00 C ATOM 1019 O SER A 72 3.344 2.721 -11.930 1.00 0.00 O ATOM 1020 CB SER A 72 3.902 1.743 -9.279 1.00 0.00 C ATOM 1021 OG SER A 72 3.005 2.570 -8.550 1.00 0.00 O ATOM 0 H SER A 72 4.666 0.277 -11.626 1.00 0.00 H new ATOM 0 HA SER A 72 2.232 0.487 -9.889 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.419 1.061 -8.604 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.665 2.351 -9.764 1.00 0.00 H new ATOM 0 HG SER A 72 3.476 3.373 -8.243 1.00 0.00 H new ATOM 1027 N SER A 73 1.381 1.721 -11.836 1.00 0.00 N ATOM 1028 CA SER A 73 0.817 2.585 -12.916 1.00 0.00 C ATOM 1029 C SER A 73 -0.681 2.799 -12.681 1.00 0.00 C ATOM 1030 O SER A 73 -1.361 1.936 -12.156 1.00 0.00 O ATOM 1031 CB SER A 73 1.052 1.807 -14.210 1.00 0.00 C ATOM 1032 OG SER A 73 0.542 2.555 -15.306 1.00 0.00 O ATOM 0 H SER A 73 0.735 1.029 -11.456 1.00 0.00 H new ATOM 0 HA SER A 73 1.282 3.571 -12.947 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.117 1.619 -14.347 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.561 0.835 -14.158 1.00 0.00 H new ATOM 0 HG SER A 73 0.692 2.060 -16.138 1.00 0.00 H new ATOM 1038 N GLY A 74 -1.200 3.939 -13.065 1.00 0.00 N ATOM 1039 CA GLY A 74 -2.656 4.208 -12.863 1.00 0.00 C ATOM 1040 C GLY A 74 -2.967 4.206 -11.365 1.00 0.00 C ATOM 1041 O GLY A 74 -3.989 3.708 -10.936 1.00 0.00 O ATOM 0 H GLY A 74 -0.678 4.694 -13.509 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.924 5.170 -13.301 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.252 3.450 -13.371 1.00 0.00 H new ATOM 1045 N ASN A 75 -2.076 4.745 -10.568 1.00 0.00 N ATOM 1046 CA ASN A 75 -2.282 4.777 -9.082 1.00 0.00 C ATOM 1047 C ASN A 75 -2.485 3.355 -8.544 1.00 0.00 C ATOM 1048 O ASN A 75 -3.125 3.149 -7.531 1.00 0.00 O ATOM 1049 CB ASN A 75 -3.527 5.642 -8.838 1.00 0.00 C ATOM 1050 CG ASN A 75 -3.204 7.102 -9.160 1.00 0.00 C ATOM 1051 OD1 ASN A 75 -3.643 7.626 -10.165 1.00 0.00 O ATOM 1052 ND2 ASN A 75 -2.448 7.786 -8.345 1.00 0.00 N ATOM 0 H ASN A 75 -1.205 5.169 -10.886 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.416 5.191 -8.565 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.352 5.295 -9.460 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.850 5.550 -7.801 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.226 8.760 -8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -2.079 7.347 -7.501 1.00 0.00 H new ATOM 1059 N GLN A 76 -1.934 2.377 -9.218 1.00 0.00 N ATOM 1060 CA GLN A 76 -2.072 0.963 -8.761 1.00 0.00 C ATOM 1061 C GLN A 76 -0.705 0.278 -8.775 1.00 0.00 C ATOM 1062 O GLN A 76 0.003 0.329 -9.764 1.00 0.00 O ATOM 1063 CB GLN A 76 -3.011 0.312 -9.777 1.00 0.00 C ATOM 1064 CG GLN A 76 -4.433 0.834 -9.566 1.00 0.00 C ATOM 1065 CD GLN A 76 -5.353 0.260 -10.645 1.00 0.00 C ATOM 1066 OE1 GLN A 76 -5.948 0.996 -11.407 1.00 0.00 O ATOM 1067 NE2 GLN A 76 -5.496 -1.033 -10.743 1.00 0.00 N ATOM 0 H GLN A 76 -1.390 2.500 -10.072 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.458 0.887 -7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.677 0.534 -10.791 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.990 -0.772 -9.665 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.793 0.550 -8.577 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.442 1.923 -9.607 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.997 -1.651 -10.104 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.107 -1.426 -11.459 1.00 0.00 H new ATOM 1076 N VAL A 77 -0.316 -0.348 -7.688 1.00 0.00 N ATOM 1077 CA VAL A 77 1.013 -1.011 -7.655 1.00 0.00 C ATOM 1078 C VAL A 77 0.855 -2.539 -7.778 1.00 0.00 C ATOM 1079 O VAL A 77 0.204 -3.173 -6.972 1.00 0.00 O ATOM 1080 CB VAL A 77 1.665 -0.586 -6.315 1.00 0.00 C ATOM 1081 CG1 VAL A 77 1.465 0.920 -6.054 1.00 0.00 C ATOM 1082 CG2 VAL A 77 1.100 -1.381 -5.128 1.00 0.00 C ATOM 0 H VAL A 77 -0.863 -0.424 -6.830 1.00 0.00 H new ATOM 0 HA VAL A 77 1.645 -0.714 -8.492 1.00 0.00 H new ATOM 0 HB VAL A 77 2.730 -0.801 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.933 1.190 -5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.922 1.493 -6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.399 1.143 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.583 -1.053 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.026 -1.211 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.290 -2.444 -5.279 1.00 0.00 H new ATOM 1092 N ASN A 78 1.437 -3.126 -8.794 1.00 0.00 N ATOM 1093 CA ASN A 78 1.316 -4.603 -8.984 1.00 0.00 C ATOM 1094 C ASN A 78 2.582 -5.330 -8.504 1.00 0.00 C ATOM 1095 O ASN A 78 3.625 -5.252 -9.124 1.00 0.00 O ATOM 1096 CB ASN A 78 1.132 -4.789 -10.497 1.00 0.00 C ATOM 1097 CG ASN A 78 0.754 -6.248 -10.791 1.00 0.00 C ATOM 1098 OD1 ASN A 78 0.891 -7.116 -9.951 1.00 0.00 O ATOM 1099 ND2 ASN A 78 0.280 -6.527 -11.980 1.00 0.00 N ATOM 0 H ASN A 78 1.992 -2.644 -9.501 1.00 0.00 H new ATOM 0 HA ASN A 78 0.489 -5.019 -8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.354 -4.119 -10.865 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.051 -4.528 -11.021 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.019 -7.485 -12.213 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.172 -5.786 -12.673 1.00 0.00 H new ATOM 1105 N LEU A 79 2.482 -6.060 -7.417 1.00 0.00 N ATOM 1106 CA LEU A 79 3.664 -6.824 -6.902 1.00 0.00 C ATOM 1107 C LEU A 79 3.504 -8.307 -7.263 1.00 0.00 C ATOM 1108 O LEU A 79 2.454 -8.887 -7.060 1.00 0.00 O ATOM 1109 CB LEU A 79 3.642 -6.645 -5.378 1.00 0.00 C ATOM 1110 CG LEU A 79 4.000 -5.202 -5.004 1.00 0.00 C ATOM 1111 CD1 LEU A 79 3.767 -4.992 -3.508 1.00 0.00 C ATOM 1112 CD2 LEU A 79 5.475 -4.941 -5.328 1.00 0.00 C ATOM 0 H LEU A 79 1.631 -6.160 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 79 4.603 -6.472 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.654 -6.893 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.348 -7.334 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 79 3.374 -4.514 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.021 -3.966 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.719 -5.179 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.394 -5.681 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.730 -3.915 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.100 -5.629 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.646 -5.093 -6.394 1.00 0.00 H new ATOM 1124 N THR A 80 4.529 -8.921 -7.806 1.00 0.00 N ATOM 1125 CA THR A 80 4.421 -10.363 -8.188 1.00 0.00 C ATOM 1126 C THR A 80 5.616 -11.170 -7.655 1.00 0.00 C ATOM 1127 O THR A 80 6.712 -10.662 -7.500 1.00 0.00 O ATOM 1128 CB THR A 80 4.395 -10.361 -9.720 1.00 0.00 C ATOM 1129 OG1 THR A 80 3.274 -9.612 -10.169 1.00 0.00 O ATOM 1130 CG2 THR A 80 4.291 -11.796 -10.241 1.00 0.00 C ATOM 0 H THR A 80 5.431 -8.487 -8.000 1.00 0.00 H new ATOM 0 HA THR A 80 3.533 -10.833 -7.764 1.00 0.00 H new ATOM 0 HB THR A 80 5.314 -9.910 -10.096 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.975 -9.958 -11.036 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.273 -11.787 -11.331 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.151 -12.371 -9.897 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.375 -12.253 -9.867 1.00 0.00 H new ATOM 1138 N ILE A 81 5.394 -12.431 -7.378 1.00 0.00 N ATOM 1139 CA ILE A 81 6.484 -13.313 -6.858 1.00 0.00 C ATOM 1140 C ILE A 81 6.636 -14.543 -7.758 1.00 0.00 C ATOM 1141 O ILE A 81 5.655 -15.111 -8.194 1.00 0.00 O ATOM 1142 CB ILE A 81 6.000 -13.764 -5.473 1.00 0.00 C ATOM 1143 CG1 ILE A 81 5.884 -12.556 -4.543 1.00 0.00 C ATOM 1144 CG2 ILE A 81 6.984 -14.784 -4.876 1.00 0.00 C ATOM 1145 CD1 ILE A 81 4.958 -12.908 -3.377 1.00 0.00 C ATOM 0 H ILE A 81 4.492 -12.893 -7.492 1.00 0.00 H new ATOM 0 HA ILE A 81 7.444 -12.798 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 81 5.021 -14.232 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 81 6.868 -12.273 -4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.492 -11.698 -5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.631 -15.098 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.051 -15.652 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.968 -14.326 -4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.871 -12.050 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.972 -13.170 -3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.370 -13.755 -2.828 1.00 0.00 H new ATOM 1157 N GLN A 82 7.848 -14.985 -7.992 1.00 0.00 N ATOM 1158 CA GLN A 82 8.044 -16.214 -8.816 1.00 0.00 C ATOM 1159 C GLN A 82 8.768 -17.278 -7.992 1.00 0.00 C ATOM 1160 O GLN A 82 9.865 -17.068 -7.511 1.00 0.00 O ATOM 1161 CB GLN A 82 8.914 -15.820 -10.004 1.00 0.00 C ATOM 1162 CG GLN A 82 8.166 -14.850 -10.916 1.00 0.00 C ATOM 1163 CD GLN A 82 9.165 -13.899 -11.577 1.00 0.00 C ATOM 1164 OE1 GLN A 82 9.817 -13.123 -10.908 1.00 0.00 O ATOM 1165 NE2 GLN A 82 9.314 -13.928 -12.873 1.00 0.00 N ATOM 0 H GLN A 82 8.704 -14.549 -7.649 1.00 0.00 H new ATOM 0 HA GLN A 82 7.086 -16.618 -9.143 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.836 -15.358 -9.650 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.198 -16.710 -10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.614 -15.402 -11.677 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.434 -14.283 -10.340 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.766 -14.580 -13.435 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.978 -13.299 -13.324 1.00 0.00 H new ATOM 1174 N GLY A 83 8.161 -18.417 -7.845 1.00 0.00 N ATOM 1175 CA GLY A 83 8.796 -19.524 -7.069 1.00 0.00 C ATOM 1176 C GLY A 83 8.023 -19.765 -5.772 1.00 0.00 C ATOM 1177 O GLY A 83 8.606 -19.975 -4.725 1.00 0.00 O ATOM 0 H GLY A 83 7.243 -18.636 -8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.812 -20.435 -7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.832 -19.273 -6.843 1.00 0.00 H new ATOM 1181 N LEU A 84 6.716 -19.732 -5.834 1.00 0.00 N ATOM 1182 CA LEU A 84 5.900 -19.954 -4.606 1.00 0.00 C ATOM 1183 C LEU A 84 5.585 -21.438 -4.405 1.00 0.00 C ATOM 1184 O LEU A 84 5.109 -22.115 -5.296 1.00 0.00 O ATOM 1185 CB LEU A 84 4.614 -19.169 -4.842 1.00 0.00 C ATOM 1186 CG LEU A 84 4.919 -17.676 -4.789 1.00 0.00 C ATOM 1187 CD1 LEU A 84 3.717 -16.896 -5.315 1.00 0.00 C ATOM 1188 CD2 LEU A 84 5.199 -17.270 -3.340 1.00 0.00 C ATOM 0 H LEU A 84 6.180 -19.560 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 84 6.431 -19.630 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.187 -19.431 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.872 -19.428 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 84 5.791 -17.456 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.932 -15.828 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.515 -17.190 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.845 -17.112 -4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.418 -16.203 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.325 -17.486 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.054 -17.831 -2.964 1.00 0.00 H new ATOM 1200 N ARG A 85 5.834 -21.930 -3.224 1.00 0.00 N ATOM 1201 CA ARG A 85 5.543 -23.356 -2.906 1.00 0.00 C ATOM 1202 C ARG A 85 4.469 -23.408 -1.817 1.00 0.00 C ATOM 1203 O ARG A 85 4.008 -22.383 -1.351 1.00 0.00 O ATOM 1204 CB ARG A 85 6.862 -23.928 -2.384 1.00 0.00 C ATOM 1205 CG ARG A 85 7.926 -23.843 -3.480 1.00 0.00 C ATOM 1206 CD ARG A 85 9.106 -24.742 -3.111 1.00 0.00 C ATOM 1207 NE ARG A 85 10.120 -24.511 -4.185 1.00 0.00 N ATOM 1208 CZ ARG A 85 10.027 -25.101 -5.361 1.00 0.00 C ATOM 1209 NH1 ARG A 85 9.024 -25.896 -5.656 1.00 0.00 N ATOM 1210 NH2 ARG A 85 10.950 -24.881 -6.257 1.00 0.00 N ATOM 0 H ARG A 85 6.234 -21.395 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 85 5.179 -23.918 -3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.187 -23.374 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.724 -24.964 -2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.504 -24.152 -4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.262 -22.813 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.505 -24.486 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.806 -25.789 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 85 10.902 -23.882 -4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.292 -26.070 -4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.977 -26.339 -6.573 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.730 -24.260 -6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.891 -25.330 -7.171 1.00 0.00 H new ATOM 1224 N ALA A 86 4.072 -24.583 -1.401 1.00 0.00 N ATOM 1225 CA ALA A 86 3.027 -24.685 -0.332 1.00 0.00 C ATOM 1226 C ALA A 86 3.520 -23.996 0.946 1.00 0.00 C ATOM 1227 O ALA A 86 2.764 -23.351 1.648 1.00 0.00 O ATOM 1228 CB ALA A 86 2.839 -26.185 -0.092 1.00 0.00 C ATOM 0 H ALA A 86 4.423 -25.474 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 86 2.093 -24.203 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.086 -26.338 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.513 -26.663 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.784 -26.623 0.230 1.00 0.00 H new ATOM 1234 N MET A 87 4.785 -24.132 1.244 1.00 0.00 N ATOM 1235 CA MET A 87 5.354 -23.498 2.471 1.00 0.00 C ATOM 1236 C MET A 87 5.366 -21.968 2.346 1.00 0.00 C ATOM 1237 O MET A 87 5.173 -21.258 3.315 1.00 0.00 O ATOM 1238 CB MET A 87 6.785 -24.034 2.569 1.00 0.00 C ATOM 1239 CG MET A 87 7.438 -23.523 3.854 1.00 0.00 C ATOM 1240 SD MET A 87 9.165 -24.062 3.909 1.00 0.00 S ATOM 1241 CE MET A 87 9.788 -22.955 2.620 1.00 0.00 C ATOM 0 H MET A 87 5.455 -24.660 0.685 1.00 0.00 H new ATOM 0 HA MET A 87 4.762 -23.732 3.356 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.777 -25.124 2.562 1.00 0.00 H new ATOM 0 HB3 MET A 87 7.364 -23.714 1.703 1.00 0.00 H new ATOM 0 HG2 MET A 87 7.384 -22.435 3.894 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.900 -23.901 4.723 1.00 0.00 H new ATOM 0 HE1 MET A 87 10.713 -22.487 2.958 1.00 0.00 H new ATOM 0 HE2 MET A 87 9.981 -23.526 1.712 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.046 -22.184 2.413 1.00 0.00 H new ATOM 1251 N ASP A 88 5.611 -21.462 1.166 1.00 0.00 N ATOM 1252 CA ASP A 88 5.662 -19.976 0.970 1.00 0.00 C ATOM 1253 C ASP A 88 4.296 -19.332 1.224 1.00 0.00 C ATOM 1254 O ASP A 88 4.209 -18.143 1.465 1.00 0.00 O ATOM 1255 CB ASP A 88 6.085 -19.768 -0.483 1.00 0.00 C ATOM 1256 CG ASP A 88 7.500 -20.319 -0.694 1.00 0.00 C ATOM 1257 OD1 ASP A 88 8.263 -20.335 0.259 1.00 0.00 O ATOM 1258 OD2 ASP A 88 7.797 -20.716 -1.809 1.00 0.00 O ATOM 0 H ASP A 88 5.779 -22.013 0.324 1.00 0.00 H new ATOM 0 HA ASP A 88 6.356 -19.512 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.385 -20.271 -1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.057 -18.707 -0.732 1.00 0.00 H new ATOM 1263 N THR A 89 3.227 -20.098 1.168 1.00 0.00 N ATOM 1264 CA THR A 89 1.865 -19.532 1.403 1.00 0.00 C ATOM 1265 C THR A 89 1.848 -18.703 2.687 1.00 0.00 C ATOM 1266 O THR A 89 2.501 -19.035 3.659 1.00 0.00 O ATOM 1267 CB THR A 89 0.949 -20.733 1.537 1.00 0.00 C ATOM 1268 OG1 THR A 89 1.173 -21.624 0.455 1.00 0.00 O ATOM 1269 CG2 THR A 89 -0.515 -20.283 1.534 1.00 0.00 C ATOM 0 H THR A 89 3.246 -21.098 0.968 1.00 0.00 H new ATOM 0 HA THR A 89 1.553 -18.872 0.593 1.00 0.00 H new ATOM 0 HB THR A 89 1.163 -21.239 2.478 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.530 -22.470 0.797 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.163 -21.154 1.631 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.689 -19.606 2.370 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.736 -19.768 0.599 1.00 0.00 H new ATOM 1277 N GLY A 90 1.127 -17.623 2.681 1.00 0.00 N ATOM 1278 CA GLY A 90 1.083 -16.748 3.894 1.00 0.00 C ATOM 1279 C GLY A 90 0.593 -15.351 3.514 1.00 0.00 C ATOM 1280 O GLY A 90 0.032 -15.155 2.454 1.00 0.00 O ATOM 0 H GLY A 90 0.564 -17.302 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 90 0.421 -17.183 4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.074 -16.685 4.343 1.00 0.00 H new ATOM 1284 N LEU A 91 0.774 -14.385 4.385 1.00 0.00 N ATOM 1285 CA LEU A 91 0.286 -13.004 4.094 1.00 0.00 C ATOM 1286 C LEU A 91 1.393 -12.082 3.573 1.00 0.00 C ATOM 1287 O LEU A 91 2.451 -11.957 4.160 1.00 0.00 O ATOM 1288 CB LEU A 91 -0.235 -12.485 5.433 1.00 0.00 C ATOM 1289 CG LEU A 91 -0.872 -11.110 5.229 1.00 0.00 C ATOM 1290 CD1 LEU A 91 -2.232 -11.274 4.558 1.00 0.00 C ATOM 1291 CD2 LEU A 91 -1.049 -10.423 6.579 1.00 0.00 C ATOM 0 H LEU A 91 1.240 -14.497 5.285 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.472 -13.022 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.967 -13.180 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.581 -12.417 6.152 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.226 -10.502 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.686 -10.294 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.104 -11.762 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.878 -11.883 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.503 -9.443 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.694 -11.030 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.077 -10.304 7.057 1.00 0.00 H new ATOM 1303 N TYR A 92 1.110 -11.393 2.496 1.00 0.00 N ATOM 1304 CA TYR A 92 2.083 -10.417 1.927 1.00 0.00 C ATOM 1305 C TYR A 92 1.487 -9.010 2.059 1.00 0.00 C ATOM 1306 O TYR A 92 0.301 -8.823 1.872 1.00 0.00 O ATOM 1307 CB TYR A 92 2.256 -10.814 0.461 1.00 0.00 C ATOM 1308 CG TYR A 92 3.013 -12.119 0.387 1.00 0.00 C ATOM 1309 CD1 TYR A 92 2.315 -13.355 0.444 1.00 0.00 C ATOM 1310 CD2 TYR A 92 4.429 -12.106 0.270 1.00 0.00 C ATOM 1311 CE1 TYR A 92 3.034 -14.580 0.379 1.00 0.00 C ATOM 1312 CE2 TYR A 92 5.148 -13.329 0.206 1.00 0.00 C ATOM 1313 CZ TYR A 92 4.451 -14.566 0.262 1.00 0.00 C ATOM 1314 OH TYR A 92 5.150 -15.755 0.200 1.00 0.00 O ATOM 0 H TYR A 92 0.233 -11.468 1.981 1.00 0.00 H new ATOM 0 HA TYR A 92 3.046 -10.420 2.437 1.00 0.00 H new ATOM 0 HB2 TYR A 92 1.282 -10.917 -0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.796 -10.035 -0.078 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.239 -13.364 0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.959 -11.166 0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 92 2.504 -15.520 0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.224 -13.319 0.115 1.00 0.00 H new ATOM 0 HH TYR A 92 4.680 -16.439 0.721 1.00 0.00 H new ATOM 1324 N ILE A 93 2.284 -8.033 2.414 1.00 0.00 N ATOM 1325 CA ILE A 93 1.743 -6.648 2.603 1.00 0.00 C ATOM 1326 C ILE A 93 2.200 -5.706 1.497 1.00 0.00 C ATOM 1327 O ILE A 93 3.335 -5.726 1.088 1.00 0.00 O ATOM 1328 CB ILE A 93 2.319 -6.164 3.945 1.00 0.00 C ATOM 1329 CG1 ILE A 93 1.763 -7.014 5.084 1.00 0.00 C ATOM 1330 CG2 ILE A 93 1.939 -4.686 4.194 1.00 0.00 C ATOM 1331 CD1 ILE A 93 2.524 -8.336 5.190 1.00 0.00 C ATOM 0 H ILE A 93 3.285 -8.133 2.581 1.00 0.00 H new ATOM 0 HA ILE A 93 0.653 -6.658 2.582 1.00 0.00 H new ATOM 0 HB ILE A 93 3.404 -6.257 3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.840 -6.467 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.704 -7.210 4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.354 -4.359 5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.341 -4.067 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.854 -4.589 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.113 -8.928 6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.424 -8.889 4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.578 -8.135 5.382 1.00 0.00 H new ATOM 1343 N CYS A 94 1.326 -4.839 1.070 1.00 0.00 N ATOM 1344 CA CYS A 94 1.707 -3.831 0.050 1.00 0.00 C ATOM 1345 C CYS A 94 1.866 -2.489 0.771 1.00 0.00 C ATOM 1346 O CYS A 94 0.903 -1.929 1.262 1.00 0.00 O ATOM 1347 CB CYS A 94 0.538 -3.785 -0.931 1.00 0.00 C ATOM 1348 SG CYS A 94 -0.874 -2.968 -0.148 1.00 0.00 S ATOM 0 H CYS A 94 0.358 -4.787 1.388 1.00 0.00 H new ATOM 0 HA CYS A 94 2.636 -4.061 -0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.828 -3.248 -1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.265 -4.795 -1.235 1.00 0.00 H new ATOM 1353 N LYS A 95 3.065 -1.971 0.845 1.00 0.00 N ATOM 1354 CA LYS A 95 3.277 -0.670 1.544 1.00 0.00 C ATOM 1355 C LYS A 95 3.391 0.444 0.508 1.00 0.00 C ATOM 1356 O LYS A 95 3.938 0.249 -0.560 1.00 0.00 O ATOM 1357 CB LYS A 95 4.588 -0.811 2.320 1.00 0.00 C ATOM 1358 CG LYS A 95 4.440 -1.778 3.502 1.00 0.00 C ATOM 1359 CD LYS A 95 4.680 -0.996 4.798 1.00 0.00 C ATOM 1360 CE LYS A 95 4.117 -1.754 6.006 1.00 0.00 C ATOM 1361 NZ LYS A 95 5.266 -1.910 6.950 1.00 0.00 N ATOM 0 H LYS A 95 3.906 -2.393 0.451 1.00 0.00 H new ATOM 0 HA LYS A 95 2.452 -0.426 2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.371 -1.169 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.903 0.167 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.445 -2.223 3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.155 -2.596 3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.748 -0.829 4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.210 -0.015 4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.300 -1.202 6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.718 -2.724 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.181 -2.816 7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.158 -1.893 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.259 -1.130 7.638 1.00 0.00 H new ATOM 1375 N VAL A 96 2.862 1.601 0.807 1.00 0.00 N ATOM 1376 CA VAL A 96 2.923 2.729 -0.172 1.00 0.00 C ATOM 1377 C VAL A 96 3.164 4.042 0.577 1.00 0.00 C ATOM 1378 O VAL A 96 2.277 4.549 1.248 1.00 0.00 O ATOM 1379 CB VAL A 96 1.545 2.732 -0.841 1.00 0.00 C ATOM 1380 CG1 VAL A 96 1.515 3.789 -1.945 1.00 0.00 C ATOM 1381 CG2 VAL A 96 1.252 1.348 -1.439 1.00 0.00 C ATOM 0 H VAL A 96 2.390 1.815 1.686 1.00 0.00 H new ATOM 0 HA VAL A 96 3.728 2.621 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 96 0.784 2.966 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.534 3.791 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.711 4.771 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.278 3.560 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.271 1.357 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.012 1.104 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.265 0.599 -0.647 1.00 0.00 H new ATOM 1391 N GLU A 97 4.356 4.588 0.490 1.00 0.00 N ATOM 1392 CA GLU A 97 4.645 5.854 1.226 1.00 0.00 C ATOM 1393 C GLU A 97 5.309 6.906 0.343 1.00 0.00 C ATOM 1394 O GLU A 97 6.325 6.659 -0.278 1.00 0.00 O ATOM 1395 CB GLU A 97 5.632 5.465 2.328 1.00 0.00 C ATOM 1396 CG GLU A 97 4.968 4.491 3.305 1.00 0.00 C ATOM 1397 CD GLU A 97 5.113 3.059 2.785 1.00 0.00 C ATOM 1398 OE1 GLU A 97 6.133 2.770 2.182 1.00 0.00 O ATOM 1399 OE2 GLU A 97 4.204 2.277 3.005 1.00 0.00 O ATOM 0 H GLU A 97 5.132 4.213 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 97 3.715 6.287 1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.518 5.006 1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.966 6.356 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.427 4.579 4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.913 4.741 3.422 1.00 0.00 H new ATOM 1406 N LEU A 98 4.783 8.100 0.359 1.00 0.00 N ATOM 1407 CA LEU A 98 5.423 9.211 -0.395 1.00 0.00 C ATOM 1408 C LEU A 98 6.484 9.736 0.558 1.00 0.00 C ATOM 1409 O LEU A 98 6.262 10.676 1.299 1.00 0.00 O ATOM 1410 CB LEU A 98 4.311 10.249 -0.630 1.00 0.00 C ATOM 1411 CG LEU A 98 3.018 9.569 -1.133 1.00 0.00 C ATOM 1412 CD1 LEU A 98 2.048 10.631 -1.637 1.00 0.00 C ATOM 1413 CD2 LEU A 98 3.324 8.573 -2.262 1.00 0.00 C ATOM 0 H LEU A 98 3.934 8.353 0.864 1.00 0.00 H new ATOM 0 HA LEU A 98 5.867 8.944 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.107 10.786 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.645 10.987 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 98 2.570 9.021 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.136 10.151 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.805 11.317 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.508 11.185 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.397 8.108 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.789 9.099 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.003 7.804 -1.894 1.00 0.00 H new ATOM 1425 N MET A 99 7.602 9.065 0.615 1.00 0.00 N ATOM 1426 CA MET A 99 8.636 9.444 1.615 1.00 0.00 C ATOM 1427 C MET A 99 9.461 10.652 1.164 1.00 0.00 C ATOM 1428 O MET A 99 9.613 11.617 1.906 1.00 0.00 O ATOM 1429 CB MET A 99 9.529 8.211 1.745 1.00 0.00 C ATOM 1430 CG MET A 99 10.433 8.360 2.970 1.00 0.00 C ATOM 1431 SD MET A 99 9.422 8.737 4.425 1.00 0.00 S ATOM 1432 CE MET A 99 8.660 7.104 4.621 1.00 0.00 C ATOM 0 H MET A 99 7.842 8.275 0.015 1.00 0.00 H new ATOM 0 HA MET A 99 8.177 9.736 2.560 1.00 0.00 H new ATOM 0 HB2 MET A 99 8.917 7.314 1.839 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.134 8.091 0.846 1.00 0.00 H new ATOM 0 HG2 MET A 99 10.996 7.441 3.133 1.00 0.00 H new ATOM 0 HG3 MET A 99 11.161 9.154 2.804 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.718 6.798 5.666 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.615 7.151 4.314 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.188 6.379 4.001 1.00 0.00 H new ATOM 1442 N TYR A 100 10.023 10.606 -0.014 1.00 0.00 N ATOM 1443 CA TYR A 100 10.884 11.748 -0.493 1.00 0.00 C ATOM 1444 C TYR A 100 10.092 13.054 -0.781 1.00 0.00 C ATOM 1445 O TYR A 100 10.561 14.114 -0.405 1.00 0.00 O ATOM 1446 CB TYR A 100 11.549 11.233 -1.766 1.00 0.00 C ATOM 1447 CG TYR A 100 12.534 10.129 -1.438 1.00 0.00 C ATOM 1448 CD1 TYR A 100 12.108 8.775 -1.403 1.00 0.00 C ATOM 1449 CD2 TYR A 100 13.896 10.454 -1.170 1.00 0.00 C ATOM 1450 CE1 TYR A 100 13.040 7.745 -1.099 1.00 0.00 C ATOM 1451 CE2 TYR A 100 14.827 9.421 -0.864 1.00 0.00 C ATOM 1452 CZ TYR A 100 14.397 8.064 -0.828 1.00 0.00 C ATOM 1453 OH TYR A 100 15.302 7.057 -0.541 1.00 0.00 O ATOM 0 H TYR A 100 9.929 9.832 -0.671 1.00 0.00 H new ATOM 0 HA TYR A 100 11.596 12.029 0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 100 10.791 10.860 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 100 12.064 12.050 -2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.077 8.528 -1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.222 11.483 -1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 100 12.714 6.716 -1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.859 9.667 -0.659 1.00 0.00 H new ATOM 0 HH TYR A 100 16.186 7.448 -0.382 1.00 0.00 H new ATOM 1463 N PRO A 101 8.952 12.966 -1.444 1.00 0.00 N ATOM 1464 CA PRO A 101 8.143 14.205 -1.782 1.00 0.00 C ATOM 1465 C PRO A 101 7.332 14.686 -0.555 1.00 0.00 C ATOM 1466 O PRO A 101 6.387 14.036 -0.155 1.00 0.00 O ATOM 1467 CB PRO A 101 7.216 13.707 -2.899 1.00 0.00 C ATOM 1468 CG PRO A 101 7.057 12.238 -2.651 1.00 0.00 C ATOM 1469 CD PRO A 101 8.308 11.750 -1.948 1.00 0.00 C ATOM 0 HA PRO A 101 8.754 15.058 -2.078 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.254 14.218 -2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 101 7.647 13.896 -3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.175 12.047 -2.039 1.00 0.00 H new ATOM 0 HG3 PRO A 101 6.914 11.705 -3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.064 11.066 -1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.962 11.211 -2.633 1.00 0.00 H new ATOM 1477 N PRO A 102 7.732 15.865 0.024 1.00 0.00 N ATOM 1478 CA PRO A 102 7.037 16.390 1.255 1.00 0.00 C ATOM 1479 C PRO A 102 5.680 17.200 0.697 1.00 0.00 C ATOM 1480 O PRO A 102 5.933 17.881 -0.289 1.00 0.00 O ATOM 1481 CB PRO A 102 8.033 17.347 1.843 1.00 0.00 C ATOM 1482 CG PRO A 102 8.859 17.794 0.636 1.00 0.00 C ATOM 1483 CD PRO A 102 8.809 16.747 -0.392 1.00 0.00 C ATOM 0 HA PRO A 102 6.733 15.643 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 102 7.541 18.191 2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 102 8.655 16.865 2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 102 8.468 18.731 0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.891 17.980 0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.615 17.170 -1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 102 9.756 16.211 -0.456 1.00 0.00 H new ATOM 1491 N PRO A 103 4.487 17.375 1.575 1.00 0.00 N ATOM 1492 CA PRO A 103 4.954 16.446 2.638 1.00 0.00 C ATOM 1493 C PRO A 103 4.575 14.939 2.457 1.00 0.00 C ATOM 1494 O PRO A 103 3.939 14.494 1.508 1.00 0.00 O ATOM 1495 CB PRO A 103 4.511 17.063 3.938 1.00 0.00 C ATOM 1496 CG PRO A 103 3.363 17.884 3.573 1.00 0.00 C ATOM 1497 CD PRO A 103 3.032 17.162 2.312 1.00 0.00 C ATOM 0 HA PRO A 103 6.039 16.355 2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.239 16.301 4.668 1.00 0.00 H new ATOM 0 HB3 PRO A 103 5.304 17.663 4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.560 17.856 4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 103 3.615 18.933 3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.780 16.114 2.470 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.203 17.610 1.765 1.00 0.00 H new ATOM 1505 N TYR A 104 4.959 14.077 3.398 1.00 0.00 N ATOM 1506 CA TYR A 104 4.568 12.651 3.270 1.00 0.00 C ATOM 1507 C TYR A 104 3.174 12.411 3.909 1.00 0.00 C ATOM 1508 O TYR A 104 2.916 12.811 5.025 1.00 0.00 O ATOM 1509 CB TYR A 104 5.657 11.914 4.049 1.00 0.00 C ATOM 1510 CG TYR A 104 5.293 10.466 4.272 1.00 0.00 C ATOM 1511 CD1 TYR A 104 4.597 9.741 3.283 1.00 0.00 C ATOM 1512 CD2 TYR A 104 5.623 9.860 5.510 1.00 0.00 C ATOM 1513 CE1 TYR A 104 4.230 8.388 3.519 1.00 0.00 C ATOM 1514 CE2 TYR A 104 5.263 8.505 5.758 1.00 0.00 C ATOM 1515 CZ TYR A 104 4.552 7.765 4.759 1.00 0.00 C ATOM 1516 OH TYR A 104 4.201 6.439 4.979 1.00 0.00 O ATOM 0 H TYR A 104 5.512 14.311 4.222 1.00 0.00 H new ATOM 0 HA TYR A 104 4.488 12.318 2.235 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.599 11.974 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.813 12.403 5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.343 10.214 2.346 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.148 10.426 6.265 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.706 7.831 2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.525 8.037 6.696 1.00 0.00 H new ATOM 0 HH TYR A 104 4.494 6.167 5.874 1.00 0.00 H new ATOM 1526 N TYR A 105 2.303 11.736 3.210 1.00 0.00 N ATOM 1527 CA TYR A 105 0.954 11.424 3.766 1.00 0.00 C ATOM 1528 C TYR A 105 0.318 10.304 2.936 1.00 0.00 C ATOM 1529 O TYR A 105 -0.316 10.555 1.929 1.00 0.00 O ATOM 1530 CB TYR A 105 0.188 12.706 3.603 1.00 0.00 C ATOM 1531 CG TYR A 105 -1.148 12.601 4.254 1.00 0.00 C ATOM 1532 CD1 TYR A 105 -2.243 12.070 3.531 1.00 0.00 C ATOM 1533 CD2 TYR A 105 -1.302 13.015 5.593 1.00 0.00 C ATOM 1534 CE1 TYR A 105 -3.519 11.975 4.155 1.00 0.00 C ATOM 1535 CE2 TYR A 105 -2.566 12.924 6.220 1.00 0.00 C ATOM 1536 CZ TYR A 105 -3.676 12.391 5.508 1.00 0.00 C ATOM 1537 OH TYR A 105 -4.904 12.293 6.121 1.00 0.00 O ATOM 0 H TYR A 105 2.470 11.383 2.267 1.00 0.00 H new ATOM 0 HA TYR A 105 0.975 11.088 4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 105 0.749 13.531 4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 105 0.066 12.932 2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.111 11.739 2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -0.455 13.402 6.140 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -4.364 11.589 3.605 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.689 13.259 7.239 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.836 12.619 7.043 1.00 0.00 H new ATOM 1547 N LEU A 106 0.491 9.084 3.339 1.00 0.00 N ATOM 1548 CA LEU A 106 -0.091 7.929 2.557 1.00 0.00 C ATOM 1549 C LEU A 106 -0.530 6.799 3.524 1.00 0.00 C ATOM 1550 O LEU A 106 -0.932 7.069 4.637 1.00 0.00 O ATOM 1551 CB LEU A 106 1.045 7.459 1.626 1.00 0.00 C ATOM 1552 CG LEU A 106 0.562 7.398 0.171 1.00 0.00 C ATOM 1553 CD1 LEU A 106 -0.590 6.400 0.041 1.00 0.00 C ATOM 1554 CD2 LEU A 106 0.102 8.788 -0.271 1.00 0.00 C ATOM 0 H LEU A 106 1.009 8.819 4.177 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.977 8.213 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.892 8.140 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.396 6.476 1.940 1.00 0.00 H new ATOM 0 HG LEU A 106 1.383 7.069 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.925 6.364 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.250 5.410 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.416 6.713 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.241 8.746 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.714 9.122 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.934 9.488 -0.193 1.00 0.00 H new ATOM 1566 N GLY A 108 -0.461 5.543 3.113 1.00 0.00 N ATOM 1567 CA GLY A 108 -0.879 4.426 4.020 1.00 0.00 C ATOM 1568 C GLY A 108 -0.329 3.094 3.505 1.00 0.00 C ATOM 1569 O GLY A 108 0.334 3.037 2.489 1.00 0.00 O ATOM 0 H GLY A 108 -0.134 5.252 2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.515 4.612 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.967 4.381 4.077 1.00 0.00 H new ATOM 1573 N ILE A 109 -0.598 2.025 4.211 1.00 0.00 N ATOM 1574 CA ILE A 109 -0.100 0.695 3.792 1.00 0.00 C ATOM 1575 C ILE A 109 -1.298 -0.238 3.551 1.00 0.00 C ATOM 1576 O ILE A 109 -2.369 -0.023 4.088 1.00 0.00 O ATOM 1577 CB ILE A 109 0.729 0.198 4.983 1.00 0.00 C ATOM 1578 CG1 ILE A 109 1.967 1.070 5.176 1.00 0.00 C ATOM 1579 CG2 ILE A 109 1.201 -1.222 4.726 1.00 0.00 C ATOM 1580 CD1 ILE A 109 1.597 2.365 5.882 1.00 0.00 C ATOM 0 H ILE A 109 -1.149 2.025 5.069 1.00 0.00 H new ATOM 0 HA ILE A 109 0.485 0.728 2.873 1.00 0.00 H new ATOM 0 HB ILE A 109 0.099 0.241 5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 109 2.713 0.530 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.418 1.291 4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 109 1.789 -1.569 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.338 -1.874 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 109 1.815 -1.244 3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.490 2.976 6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.868 2.911 5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 109 1.167 2.138 6.858 1.00 0.00 H new ATOM 1592 N GLY A 110 -1.112 -1.288 2.789 1.00 0.00 N ATOM 1593 CA GLY A 110 -2.223 -2.258 2.562 1.00 0.00 C ATOM 1594 C GLY A 110 -2.202 -3.258 3.717 1.00 0.00 C ATOM 1595 O GLY A 110 -1.146 -3.593 4.223 1.00 0.00 O ATOM 0 H GLY A 110 -0.237 -1.514 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.181 -1.740 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.096 -2.771 1.609 1.00 0.00 H new ATOM 1599 N ASN A 111 -3.344 -3.728 4.152 1.00 0.00 N ATOM 1600 CA ASN A 111 -3.359 -4.696 5.291 1.00 0.00 C ATOM 1601 C ASN A 111 -2.571 -5.958 4.939 1.00 0.00 C ATOM 1602 O ASN A 111 -1.922 -6.549 5.782 1.00 0.00 O ATOM 1603 CB ASN A 111 -4.831 -5.035 5.549 1.00 0.00 C ATOM 1604 CG ASN A 111 -5.490 -3.928 6.369 1.00 0.00 C ATOM 1605 OD1 ASN A 111 -6.502 -3.374 5.985 1.00 0.00 O ATOM 1606 ND2 ASN A 111 -4.928 -3.604 7.502 1.00 0.00 N ATOM 0 H ASN A 111 -4.259 -3.486 3.772 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.891 -4.267 6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.355 -5.157 4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.906 -5.984 6.079 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.338 -2.873 8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.079 -4.082 7.805 1.00 0.00 H new ATOM 1612 N GLY A 112 -2.613 -6.363 3.700 1.00 0.00 N ATOM 1613 CA GLY A 112 -1.861 -7.573 3.277 1.00 0.00 C ATOM 1614 C GLY A 112 -2.798 -8.605 2.651 1.00 0.00 C ATOM 1615 O GLY A 112 -3.858 -8.903 3.167 1.00 0.00 O ATOM 0 H GLY A 112 -3.141 -5.903 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.089 -7.294 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.354 -8.010 4.137 1.00 0.00 H new ATOM 1619 N THR A 113 -2.382 -9.168 1.550 1.00 0.00 N ATOM 1620 CA THR A 113 -3.193 -10.213 0.865 1.00 0.00 C ATOM 1621 C THR A 113 -2.524 -11.563 1.091 1.00 0.00 C ATOM 1622 O THR A 113 -1.333 -11.700 0.872 1.00 0.00 O ATOM 1623 CB THR A 113 -3.128 -9.865 -0.626 1.00 0.00 C ATOM 1624 OG1 THR A 113 -3.669 -8.570 -0.839 1.00 0.00 O ATOM 1625 CG2 THR A 113 -3.913 -10.909 -1.439 1.00 0.00 C ATOM 0 H THR A 113 -1.500 -8.944 1.089 1.00 0.00 H new ATOM 0 HA THR A 113 -4.219 -10.256 1.230 1.00 0.00 H new ATOM 0 HB THR A 113 -2.088 -9.872 -0.954 1.00 0.00 H new ATOM 0 HG1 THR A 113 -4.458 -8.447 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.864 -10.657 -2.498 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.478 -11.896 -1.280 1.00 0.00 H new ATOM 0 HG23 THR A 113 -4.954 -10.915 -1.115 1.00 0.00 H new ATOM 1633 N GLN A 114 -3.259 -12.560 1.503 1.00 0.00 N ATOM 1634 CA GLN A 114 -2.614 -13.883 1.701 1.00 0.00 C ATOM 1635 C GLN A 114 -2.586 -14.620 0.370 1.00 0.00 C ATOM 1636 O GLN A 114 -3.604 -14.808 -0.255 1.00 0.00 O ATOM 1637 CB GLN A 114 -3.458 -14.639 2.734 1.00 0.00 C ATOM 1638 CG GLN A 114 -2.683 -15.880 3.175 1.00 0.00 C ATOM 1639 CD GLN A 114 -3.573 -16.806 3.999 1.00 0.00 C ATOM 1640 OE1 GLN A 114 -4.621 -16.410 4.472 1.00 0.00 O ATOM 1641 NE2 GLN A 114 -3.188 -18.037 4.190 1.00 0.00 N ATOM 0 H GLN A 114 -4.257 -12.516 1.707 1.00 0.00 H new ATOM 0 HA GLN A 114 -1.588 -13.791 2.056 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -3.670 -14.000 3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -4.418 -14.924 2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -2.308 -16.411 2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -1.815 -15.583 3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.308 -18.364 3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -3.767 -18.673 4.738 1.00 0.00 H new ATOM 1650 N ILE A 115 -1.430 -15.030 -0.077 1.00 0.00 N ATOM 1651 CA ILE A 115 -1.367 -15.755 -1.373 1.00 0.00 C ATOM 1652 C ILE A 115 -1.628 -17.246 -1.117 1.00 0.00 C ATOM 1653 O ILE A 115 -0.969 -17.871 -0.299 1.00 0.00 O ATOM 1654 CB ILE A 115 0.045 -15.513 -1.923 1.00 0.00 C ATOM 1655 CG1 ILE A 115 0.221 -14.019 -2.219 1.00 0.00 C ATOM 1656 CG2 ILE A 115 0.242 -16.314 -3.214 1.00 0.00 C ATOM 1657 CD1 ILE A 115 1.657 -13.746 -2.674 1.00 0.00 C ATOM 0 H ILE A 115 -0.536 -14.895 0.395 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.113 -15.412 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 115 0.782 -15.833 -1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.481 -13.707 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.005 -13.433 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 115 1.246 -16.139 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 115 0.113 -17.376 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -0.493 -15.997 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.777 -12.683 -2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.351 -14.041 -1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 115 1.868 -14.319 -3.577 1.00 0.00 H new ATOM 1669 N TYR A 116 -2.590 -17.806 -1.807 1.00 0.00 N ATOM 1670 CA TYR A 116 -2.925 -19.251 -1.629 1.00 0.00 C ATOM 1671 C TYR A 116 -2.218 -20.095 -2.687 1.00 0.00 C ATOM 1672 O TYR A 116 -1.861 -19.611 -3.744 1.00 0.00 O ATOM 1673 CB TYR A 116 -4.447 -19.350 -1.864 1.00 0.00 C ATOM 1674 CG TYR A 116 -5.283 -19.046 -0.615 1.00 0.00 C ATOM 1675 CD1 TYR A 116 -4.684 -18.807 0.662 1.00 0.00 C ATOM 1676 CD2 TYR A 116 -6.706 -19.028 -0.732 1.00 0.00 C ATOM 1677 CE1 TYR A 116 -5.502 -18.559 1.798 1.00 0.00 C ATOM 1678 CE2 TYR A 116 -7.519 -18.777 0.402 1.00 0.00 C ATOM 1679 CZ TYR A 116 -6.919 -18.545 1.669 1.00 0.00 C ATOM 1680 OH TYR A 116 -7.709 -18.304 2.774 1.00 0.00 O ATOM 0 H TYR A 116 -3.164 -17.317 -2.494 1.00 0.00 H new ATOM 0 HA TYR A 116 -2.620 -19.608 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -4.729 -18.658 -2.657 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -4.687 -20.353 -2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -3.609 -18.815 0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -7.167 -19.207 -1.692 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -5.047 -18.381 2.761 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -8.594 -18.762 0.303 1.00 0.00 H new ATOM 0 HH TYR A 116 -8.653 -18.328 2.513 1.00 0.00 H new ATOM 1690 N VAL A 117 -2.061 -21.366 -2.423 1.00 0.00 N ATOM 1691 CA VAL A 117 -1.430 -22.266 -3.425 1.00 0.00 C ATOM 1692 C VAL A 117 -2.504 -23.207 -3.959 1.00 0.00 C ATOM 1693 O VAL A 117 -3.589 -23.297 -3.415 1.00 0.00 O ATOM 1694 CB VAL A 117 -0.336 -23.047 -2.689 1.00 0.00 C ATOM 1695 CG1 VAL A 117 0.296 -24.073 -3.646 1.00 0.00 C ATOM 1696 CG2 VAL A 117 0.743 -22.073 -2.211 1.00 0.00 C ATOM 0 H VAL A 117 -2.344 -21.818 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.997 -21.721 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.771 -23.566 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.074 -24.628 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.470 -24.765 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.733 -23.554 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.524 -22.624 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.175 -21.559 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.299 -21.341 -1.536 1.00 0.00 H new