USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=27 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 Set 1.1: A 23 MET CE :methyl -177:sc= -0.879 (180deg=-0.667) USER MOD Set 1.2: A 109 CYS SG : rot -20:sc= -0.394 USER MOD Set 2.1: A 104 SER OG : rot -160:sc= 1.3 USER MOD Set 2.2: A 107 SER OG : rot 58:sc= 1.31 USER MOD Set 3.1: A 86 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 49 TYR OH : rot 8:sc= 1.26 USER MOD Set 4.2: A 81 HIS : no HD1:sc= 1.43 K(o=2.7,f=-8.4!) USER MOD Set 5.1: A 5 GLN : amide:sc= 0.568 K(o=1.1,f=0.48) USER MOD Set 5.2: A 35 THR OG1 : rot 180:sc= 0.527 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.017 (180deg=-0.188) USER MOD Single : A 9 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.14) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.941 K(o=0.94,f=-0.21) USER MOD Single : A 17 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.6) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -177:sc= -0.416 (180deg=-0.441) USER MOD Single : A 47 THR OG1 : rot -85:sc= 1.46 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.582 K(o=0.58,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 160:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 177:sc= 1.1 USER MOD Single : A 68 SER OG : rot 177:sc= 1.25 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 72 MET CE :methyl -159:sc= -0.0818 (180deg=-0.629) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 77 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.4!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.32) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.022 USER MOD Single : A 93 SER OG : rot 105:sc= 1.24 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.421 USER MOD Single : A 100 SER OG : rot 180:sc= -0.112 USER MOD Single : A 106 GLN : amide:sc=-0.00457 K(o=-0.0046,f=-0.7) USER MOD Single : A 111 SER OG : rot 62:sc= 1.22 USER MOD Single : A 114 SER OG : rot 76:sc= 1.27 USER MOD Single : A 115 MET CE :methyl 154:sc= -0.112 (180deg=-0.709) USER MOD Single : A 117 SER OG : rot 74:sc= 1.09 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 0.097 -6.213 -19.927 1.00 0.00 N ATOM 42 CA MET A 4 -0.188 -6.132 -18.507 1.00 0.00 C ATOM 43 C MET A 4 0.141 -4.731 -17.991 1.00 0.00 C ATOM 44 O MET A 4 -0.320 -4.324 -16.924 1.00 0.00 O ATOM 45 CB MET A 4 0.591 -7.229 -17.808 1.00 0.00 C ATOM 46 CG MET A 4 0.105 -8.614 -18.214 1.00 0.00 C ATOM 47 SD MET A 4 1.014 -9.960 -17.440 1.00 0.00 S ATOM 48 CE MET A 4 0.290 -11.414 -18.186 1.00 0.00 C ATOM 0 HA MET A 4 -1.247 -6.289 -18.301 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.650 -7.131 -18.046 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.495 -7.112 -16.729 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.951 -8.707 -17.959 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.181 -8.712 -19.297 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.771 -12.306 -17.786 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.776 -11.445 -17.962 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.433 -11.378 -19.266 1.00 0.00 H new ATOM 58 N GLN A 5 0.924 -3.987 -18.775 1.00 0.00 N ATOM 59 CA GLN A 5 1.213 -2.600 -18.467 1.00 0.00 C ATOM 60 C GLN A 5 -0.008 -1.796 -18.874 1.00 0.00 C ATOM 61 O GLN A 5 -0.309 -0.785 -18.247 1.00 0.00 O ATOM 62 CB GLN A 5 2.481 -2.117 -19.166 1.00 0.00 C ATOM 63 CG GLN A 5 3.742 -2.749 -18.608 1.00 0.00 C ATOM 64 CD GLN A 5 5.001 -2.337 -19.346 1.00 0.00 C ATOM 65 OE1 GLN A 5 5.218 -2.721 -20.499 1.00 0.00 O ATOM 66 NE2 GLN A 5 5.833 -1.538 -18.685 1.00 0.00 N ATOM 0 H GLN A 5 1.366 -4.330 -19.628 1.00 0.00 H new ATOM 0 HA GLN A 5 1.409 -2.475 -17.402 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.410 -2.340 -20.231 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.551 -1.033 -19.071 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.841 -2.478 -17.557 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.644 -3.834 -18.649 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.612 -1.246 -17.733 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.693 -1.217 -19.130 1.00 0.00 H new ATOM 75 N LYS A 6 -0.703 -2.246 -19.921 1.00 0.00 N ATOM 76 CA LYS A 6 -1.934 -1.608 -20.358 1.00 0.00 C ATOM 77 C LYS A 6 -3.019 -1.912 -19.337 1.00 0.00 C ATOM 78 O LYS A 6 -3.890 -1.071 -19.125 1.00 0.00 O ATOM 79 CB LYS A 6 -2.333 -2.071 -21.757 1.00 0.00 C ATOM 80 CG LYS A 6 -1.415 -1.556 -22.855 1.00 0.00 C ATOM 81 CD LYS A 6 -1.833 -2.076 -24.222 1.00 0.00 C ATOM 82 CE LYS A 6 -0.890 -1.579 -25.306 1.00 0.00 C ATOM 83 NZ LYS A 6 -0.956 -0.096 -25.447 1.00 0.00 N ATOM 0 H LYS A 6 -0.428 -3.054 -20.480 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.787 -0.530 -20.422 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.339 -3.161 -21.782 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.352 -1.742 -21.963 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.428 -0.466 -22.860 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.390 -1.862 -22.646 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.841 -3.166 -24.214 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.850 -1.752 -24.443 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.131 -1.878 -25.068 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.146 -2.048 -26.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.479 0.191 -26.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.951 0.206 -25.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.484 0.351 -24.635 1.00 0.00 H new ATOM 97 N ARG A 7 -2.974 -3.100 -18.715 1.00 0.00 N ATOM 98 CA ARG A 7 -3.897 -3.404 -17.622 1.00 0.00 C ATOM 99 C ARG A 7 -3.700 -2.370 -16.522 1.00 0.00 C ATOM 100 O ARG A 7 -4.679 -1.850 -15.982 1.00 0.00 O ATOM 101 CB ARG A 7 -3.672 -4.795 -17.032 1.00 0.00 C ATOM 102 CG ARG A 7 -4.079 -5.984 -17.883 1.00 0.00 C ATOM 103 CD ARG A 7 -3.741 -7.279 -17.226 1.00 0.00 C ATOM 104 NE ARG A 7 -4.217 -8.403 -18.017 1.00 0.00 N ATOM 105 CZ ARG A 7 -3.879 -9.698 -17.850 1.00 0.00 C ATOM 106 NH1 ARG A 7 -3.029 -10.083 -16.923 1.00 0.00 N ATOM 107 NH2 ARG A 7 -4.422 -10.606 -18.644 1.00 0.00 N ATOM 0 H ARG A 7 -2.321 -3.849 -18.947 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.909 -3.378 -18.025 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.612 -4.895 -16.797 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.215 -4.853 -16.088 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.151 -5.943 -18.075 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.580 -5.926 -18.850 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.662 -7.353 -17.094 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.187 -7.314 -16.232 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.870 -8.191 -18.771 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.604 -9.394 -16.303 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.795 -11.071 -16.824 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.083 -10.322 -19.367 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.179 -11.591 -18.534 1.00 0.00 H new ATOM 121 N LEU A 8 -2.435 -2.087 -16.201 1.00 0.00 N ATOM 122 CA LEU A 8 -2.100 -1.046 -15.244 1.00 0.00 C ATOM 123 C LEU A 8 -2.524 0.345 -15.692 1.00 0.00 C ATOM 124 O LEU A 8 -2.988 1.112 -14.853 1.00 0.00 O ATOM 125 CB LEU A 8 -0.590 -1.077 -14.973 1.00 0.00 C ATOM 126 CG LEU A 8 -0.131 -2.264 -14.140 1.00 0.00 C ATOM 127 CD1 LEU A 8 1.378 -2.372 -14.123 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.630 -2.023 -12.727 1.00 0.00 C ATOM 0 H LEU A 8 -1.628 -2.570 -16.595 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.658 -1.255 -14.331 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.061 -1.090 -15.926 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.305 -0.157 -14.463 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.522 -3.190 -14.561 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.675 -3.230 -13.520 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.745 -2.500 -15.141 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.803 -1.464 -13.696 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.325 -2.851 -12.087 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.206 -1.094 -12.345 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.718 -1.951 -12.733 1.00 0.00 H new ATOM 140 N GLN A 9 -2.405 0.683 -16.977 1.00 0.00 N ATOM 141 CA GLN A 9 -2.826 2.015 -17.395 1.00 0.00 C ATOM 142 C GLN A 9 -4.328 2.186 -17.274 1.00 0.00 C ATOM 143 O GLN A 9 -4.792 3.253 -16.870 1.00 0.00 O ATOM 144 CB GLN A 9 -2.442 2.306 -18.849 1.00 0.00 C ATOM 145 CG GLN A 9 -0.954 2.380 -19.119 1.00 0.00 C ATOM 146 CD GLN A 9 -0.253 3.394 -18.245 1.00 0.00 C ATOM 147 OE1 GLN A 9 -0.672 4.545 -18.097 1.00 0.00 O ATOM 148 NE2 GLN A 9 0.840 2.933 -17.649 1.00 0.00 N ATOM 0 H GLN A 9 -2.038 0.082 -17.715 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.312 2.711 -16.731 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.872 1.532 -19.484 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.897 3.251 -19.146 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.510 1.398 -18.957 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.791 2.634 -20.166 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.140 1.971 -17.808 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.379 3.541 -17.032 1.00 0.00 H new ATOM 157 N LYS A 10 -5.076 1.137 -17.609 1.00 0.00 N ATOM 158 CA LYS A 10 -6.523 1.175 -17.506 1.00 0.00 C ATOM 159 C LYS A 10 -6.951 1.302 -16.057 1.00 0.00 C ATOM 160 O LYS A 10 -7.869 2.067 -15.756 1.00 0.00 O ATOM 161 CB LYS A 10 -7.124 -0.084 -18.126 1.00 0.00 C ATOM 162 CG LYS A 10 -7.014 -0.152 -19.643 1.00 0.00 C ATOM 163 CD LYS A 10 -7.599 -1.451 -20.174 1.00 0.00 C ATOM 164 CE LYS A 10 -7.479 -1.541 -21.687 1.00 0.00 C ATOM 165 NZ LYS A 10 -8.032 -2.821 -22.210 1.00 0.00 N ATOM 0 H LYS A 10 -4.699 0.254 -17.953 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.888 2.046 -18.050 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.630 -0.956 -17.699 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.176 -0.145 -17.847 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.537 0.695 -20.087 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.968 -0.072 -19.939 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.085 -2.296 -19.717 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.648 -1.523 -19.887 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.006 -0.704 -22.144 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.431 -1.453 -21.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.932 -2.845 -23.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.512 -3.620 -21.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.038 -2.893 -21.958 1.00 0.00 H new ATOM 179 N GLU A 11 -6.294 0.545 -15.177 1.00 0.00 N ATOM 180 CA GLU A 11 -6.577 0.609 -13.756 1.00 0.00 C ATOM 181 C GLU A 11 -6.244 1.972 -13.183 1.00 0.00 C ATOM 182 O GLU A 11 -7.019 2.480 -12.377 1.00 0.00 O ATOM 183 CB GLU A 11 -5.834 -0.478 -12.990 1.00 0.00 C ATOM 184 CG GLU A 11 -6.186 -0.455 -11.511 1.00 0.00 C ATOM 185 CD GLU A 11 -5.635 -1.609 -10.734 1.00 0.00 C ATOM 186 OE1 GLU A 11 -5.116 -2.529 -11.324 1.00 0.00 O ATOM 187 OE2 GLU A 11 -5.755 -1.562 -9.533 1.00 0.00 O ATOM 0 H GLU A 11 -5.562 -0.118 -15.431 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.648 0.441 -13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.081 -1.454 -13.409 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.760 -0.341 -13.112 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.816 0.473 -11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.271 -0.446 -11.407 1.00 0.00 H new ATOM 194 N LEU A 12 -5.098 2.538 -13.562 1.00 0.00 N ATOM 195 CA LEU A 12 -4.695 3.851 -13.084 1.00 0.00 C ATOM 196 C LEU A 12 -5.773 4.860 -13.441 1.00 0.00 C ATOM 197 O LEU A 12 -6.160 5.653 -12.584 1.00 0.00 O ATOM 198 CB LEU A 12 -3.361 4.277 -13.702 1.00 0.00 C ATOM 199 CG LEU A 12 -2.772 5.613 -13.228 1.00 0.00 C ATOM 200 CD1 LEU A 12 -2.513 5.542 -11.724 1.00 0.00 C ATOM 201 CD2 LEU A 12 -1.459 5.864 -13.958 1.00 0.00 C ATOM 0 H LEU A 12 -4.433 2.102 -14.201 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.566 3.807 -12.003 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.629 3.494 -13.503 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.488 4.327 -14.783 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.470 6.423 -13.440 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.094 6.488 -11.382 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.450 5.350 -11.202 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.809 4.737 -11.514 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.034 6.812 -13.627 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.761 5.057 -13.738 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.642 5.904 -15.032 1.00 0.00 H new ATOM 213 N LEU A 13 -6.249 4.824 -14.689 1.00 0.00 N ATOM 214 CA LEU A 13 -7.306 5.717 -15.145 1.00 0.00 C ATOM 215 C LEU A 13 -8.606 5.483 -14.386 1.00 0.00 C ATOM 216 O LEU A 13 -9.324 6.443 -14.102 1.00 0.00 O ATOM 217 CB LEU A 13 -7.521 5.526 -16.646 1.00 0.00 C ATOM 218 CG LEU A 13 -6.364 6.028 -17.515 1.00 0.00 C ATOM 219 CD1 LEU A 13 -6.608 5.618 -18.960 1.00 0.00 C ATOM 220 CD2 LEU A 13 -6.262 7.539 -17.371 1.00 0.00 C ATOM 0 H LEU A 13 -5.912 4.178 -15.403 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.997 6.744 -14.948 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.678 4.466 -16.847 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.433 6.045 -16.940 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.420 5.587 -17.195 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.787 5.973 -19.583 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.669 4.532 -19.025 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.543 6.055 -19.309 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.441 7.908 -17.986 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.195 7.999 -17.697 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.077 7.793 -16.327 1.00 0.00 H new ATOM 232 N ALA A 14 -8.911 4.227 -14.058 1.00 0.00 N ATOM 233 CA ALA A 14 -10.074 3.918 -13.240 1.00 0.00 C ATOM 234 C ALA A 14 -9.918 4.568 -11.869 1.00 0.00 C ATOM 235 O ALA A 14 -10.907 5.027 -11.300 1.00 0.00 O ATOM 236 CB ALA A 14 -10.262 2.415 -13.105 1.00 0.00 C ATOM 0 H ALA A 14 -8.368 3.413 -14.347 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.964 4.318 -13.727 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.138 2.212 -12.489 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.403 1.976 -14.093 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.380 1.979 -12.637 1.00 0.00 H new ATOM 242 N LEU A 15 -8.688 4.603 -11.347 1.00 0.00 N ATOM 243 CA LEU A 15 -8.420 5.229 -10.064 1.00 0.00 C ATOM 244 C LEU A 15 -8.232 6.736 -10.198 1.00 0.00 C ATOM 245 O LEU A 15 -8.169 7.436 -9.193 1.00 0.00 O ATOM 246 CB LEU A 15 -7.190 4.586 -9.419 1.00 0.00 C ATOM 247 CG LEU A 15 -7.399 3.098 -9.125 1.00 0.00 C ATOM 248 CD1 LEU A 15 -6.132 2.492 -8.530 1.00 0.00 C ATOM 249 CD2 LEU A 15 -8.615 2.966 -8.231 1.00 0.00 C ATOM 0 H LEU A 15 -7.866 4.203 -11.800 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.286 5.069 -9.422 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.331 4.706 -10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.954 5.108 -8.491 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.590 2.534 -10.038 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.296 1.434 -8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.309 2.602 -9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.884 3.006 -7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.788 1.914 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.446 3.513 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.487 3.376 -8.740 1.00 0.00 H new ATOM 261 N GLN A 16 -8.102 7.256 -11.417 1.00 0.00 N ATOM 262 CA GLN A 16 -8.123 8.702 -11.570 1.00 0.00 C ATOM 263 C GLN A 16 -9.580 9.109 -11.412 1.00 0.00 C ATOM 264 O GLN A 16 -9.886 10.145 -10.822 1.00 0.00 O ATOM 265 CB GLN A 16 -7.605 9.184 -12.934 1.00 0.00 C ATOM 266 CG GLN A 16 -6.137 8.933 -13.213 1.00 0.00 C ATOM 267 CD GLN A 16 -5.242 9.581 -12.184 1.00 0.00 C ATOM 268 OE1 GLN A 16 -5.347 10.772 -11.875 1.00 0.00 O ATOM 269 NE2 GLN A 16 -4.347 8.772 -11.638 1.00 0.00 N ATOM 0 H GLN A 16 -7.986 6.721 -12.278 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.462 9.153 -10.830 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.191 8.699 -13.715 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.792 10.255 -13.014 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.951 7.859 -13.230 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.886 9.315 -14.202 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.299 7.795 -11.927 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.705 9.126 -10.929 1.00 0.00 H new ATOM 278 N ASN A 17 -10.475 8.282 -11.953 1.00 0.00 N ATOM 279 CA ASN A 17 -11.904 8.507 -11.817 1.00 0.00 C ATOM 280 C ASN A 17 -12.426 8.194 -10.414 1.00 0.00 C ATOM 281 O ASN A 17 -13.336 8.872 -9.935 1.00 0.00 O ATOM 282 CB ASN A 17 -12.640 7.688 -12.855 1.00 0.00 C ATOM 283 CG ASN A 17 -12.465 8.254 -14.236 1.00 0.00 C ATOM 284 OD1 ASN A 17 -12.168 9.443 -14.399 1.00 0.00 O ATOM 285 ND2 ASN A 17 -12.645 7.428 -15.234 1.00 0.00 N ATOM 0 H ASN A 17 -10.229 7.450 -12.490 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.088 9.569 -11.980 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.275 6.661 -12.834 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -13.701 7.655 -12.607 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.541 7.757 -16.194 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.889 6.454 -15.053 1.00 0.00 H new ATOM 292 N ASP A 18 -11.871 7.177 -9.757 1.00 0.00 N ATOM 293 CA ASP A 18 -12.299 6.837 -8.407 1.00 0.00 C ATOM 294 C ASP A 18 -11.200 6.160 -7.583 1.00 0.00 C ATOM 295 O ASP A 18 -11.194 4.934 -7.475 1.00 0.00 O ATOM 296 CB ASP A 18 -13.512 5.908 -8.487 1.00 0.00 C ATOM 297 CG ASP A 18 -14.151 5.612 -7.137 1.00 0.00 C ATOM 298 OD1 ASP A 18 -13.648 6.078 -6.144 1.00 0.00 O ATOM 299 OD2 ASP A 18 -15.140 4.918 -7.114 1.00 0.00 O ATOM 0 H ASP A 18 -11.133 6.582 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.549 7.770 -7.902 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.259 6.357 -9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.208 4.968 -8.948 1.00 0.00 H new ATOM 304 N PRO A 19 -10.277 6.928 -6.995 1.00 0.00 N ATOM 305 CA PRO A 19 -9.195 6.454 -6.159 1.00 0.00 C ATOM 306 C PRO A 19 -9.681 6.040 -4.775 1.00 0.00 C ATOM 307 O PRO A 19 -10.749 6.480 -4.348 1.00 0.00 O ATOM 308 CB PRO A 19 -8.302 7.696 -6.094 1.00 0.00 C ATOM 309 CG PRO A 19 -9.260 8.848 -6.238 1.00 0.00 C ATOM 310 CD PRO A 19 -10.359 8.383 -7.174 1.00 0.00 C ATOM 0 HA PRO A 19 -8.698 5.563 -6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.758 7.746 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.559 7.694 -6.891 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.671 9.134 -5.270 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.753 9.725 -6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.335 8.779 -6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.177 8.683 -8.206 1.00 0.00 H new ATOM 318 N PRO A 20 -8.932 5.211 -4.051 1.00 0.00 N ATOM 319 CA PRO A 20 -9.271 4.812 -2.711 1.00 0.00 C ATOM 320 C PRO A 20 -9.145 5.993 -1.743 1.00 0.00 C ATOM 321 O PRO A 20 -8.225 6.795 -1.908 1.00 0.00 O ATOM 322 CB PRO A 20 -8.231 3.716 -2.467 1.00 0.00 C ATOM 323 CG PRO A 20 -7.096 3.995 -3.414 1.00 0.00 C ATOM 324 CD PRO A 20 -7.711 4.651 -4.630 1.00 0.00 C ATOM 0 HA PRO A 20 -10.296 4.471 -2.567 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.887 3.729 -1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.656 2.729 -2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.356 4.648 -2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.582 3.074 -3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.066 5.419 -5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.921 3.935 -5.424 1.00 0.00 H new ATOM 332 N PRO A 21 -10.042 6.124 -0.758 1.00 0.00 N ATOM 333 CA PRO A 21 -10.040 7.189 0.227 1.00 0.00 C ATOM 334 C PRO A 21 -8.714 7.396 0.936 1.00 0.00 C ATOM 335 O PRO A 21 -8.164 6.473 1.534 1.00 0.00 O ATOM 336 CB PRO A 21 -11.116 6.677 1.192 1.00 0.00 C ATOM 337 CG PRO A 21 -12.040 5.874 0.322 1.00 0.00 C ATOM 338 CD PRO A 21 -11.151 5.164 -0.671 1.00 0.00 C ATOM 0 HA PRO A 21 -10.220 8.170 -0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.683 6.065 1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.641 7.500 1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.614 5.161 0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.758 6.518 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.828 4.186 -0.315 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.642 5.007 -1.631 1.00 0.00 H new ATOM 346 N GLY A 22 -8.230 8.635 0.889 1.00 0.00 N ATOM 347 CA GLY A 22 -6.966 9.026 1.506 1.00 0.00 C ATOM 348 C GLY A 22 -5.766 8.843 0.576 1.00 0.00 C ATOM 349 O GLY A 22 -4.635 9.153 0.953 1.00 0.00 O ATOM 0 H GLY A 22 -8.709 9.402 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.025 10.070 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.812 8.437 2.410 1.00 0.00 H new ATOM 353 N MET A 23 -5.993 8.347 -0.644 1.00 0.00 N ATOM 354 CA MET A 23 -4.888 8.112 -1.563 1.00 0.00 C ATOM 355 C MET A 23 -5.031 8.763 -2.949 1.00 0.00 C ATOM 356 O MET A 23 -6.068 8.642 -3.601 1.00 0.00 O ATOM 357 CB MET A 23 -4.753 6.611 -1.744 1.00 0.00 C ATOM 358 CG MET A 23 -3.596 6.169 -2.616 1.00 0.00 C ATOM 359 SD MET A 23 -2.029 6.406 -1.769 1.00 0.00 S ATOM 360 CE MET A 23 -2.000 5.023 -0.629 1.00 0.00 C ATOM 0 H MET A 23 -6.915 8.106 -1.008 1.00 0.00 H new ATOM 0 HA MET A 23 -4.010 8.577 -1.115 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.644 6.151 -0.762 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.678 6.228 -2.174 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.716 5.119 -2.881 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.600 6.735 -3.547 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.107 5.083 -0.007 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.886 5.055 0.005 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.989 4.089 -1.190 1.00 0.00 H new ATOM 370 N THR A 24 -3.980 9.452 -3.399 1.00 0.00 N ATOM 371 CA THR A 24 -3.937 10.075 -4.726 1.00 0.00 C ATOM 372 C THR A 24 -2.912 9.327 -5.570 1.00 0.00 C ATOM 373 O THR A 24 -1.778 9.136 -5.140 1.00 0.00 O ATOM 374 CB THR A 24 -3.571 11.570 -4.664 1.00 0.00 C ATOM 375 OG1 THR A 24 -4.555 12.282 -3.903 1.00 0.00 O ATOM 376 CG2 THR A 24 -3.496 12.156 -6.066 1.00 0.00 C ATOM 0 H THR A 24 -3.131 9.595 -2.852 1.00 0.00 H new ATOM 0 HA THR A 24 -4.932 10.013 -5.168 1.00 0.00 H new ATOM 0 HB THR A 24 -2.597 11.669 -4.184 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.316 13.232 -3.866 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.236 13.213 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.735 11.628 -6.641 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.463 12.048 -6.558 1.00 0.00 H new ATOM 384 N LEU A 25 -3.262 8.925 -6.791 1.00 0.00 N ATOM 385 CA LEU A 25 -2.292 8.125 -7.538 1.00 0.00 C ATOM 386 C LEU A 25 -1.801 8.678 -8.871 1.00 0.00 C ATOM 387 O LEU A 25 -2.548 9.337 -9.595 1.00 0.00 O ATOM 388 CB LEU A 25 -2.912 6.754 -7.872 1.00 0.00 C ATOM 389 CG LEU A 25 -3.280 5.823 -6.710 1.00 0.00 C ATOM 390 CD1 LEU A 25 -4.707 6.111 -6.272 1.00 0.00 C ATOM 391 CD2 LEU A 25 -3.108 4.376 -7.155 1.00 0.00 C ATOM 0 H LEU A 25 -4.146 9.122 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.433 8.102 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.815 6.930 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.214 6.221 -8.517 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.624 5.995 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.974 5.452 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.786 7.149 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.386 5.939 -7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.368 3.709 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.761 4.177 -8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.072 4.206 -7.446 1.00 0.00 H new ATOM 403 N ASN A 26 -0.528 8.420 -9.182 1.00 0.00 N ATOM 404 CA ASN A 26 0.027 8.762 -10.488 1.00 0.00 C ATOM 405 C ASN A 26 1.180 7.814 -10.830 1.00 0.00 C ATOM 406 O ASN A 26 1.522 6.932 -10.044 1.00 0.00 O ATOM 407 CB ASN A 26 0.467 10.217 -10.530 1.00 0.00 C ATOM 408 CG ASN A 26 1.558 10.564 -9.557 1.00 0.00 C ATOM 409 OD1 ASN A 26 2.670 10.033 -9.649 1.00 0.00 O ATOM 410 ND2 ASN A 26 1.263 11.442 -8.632 1.00 0.00 N ATOM 0 H ASN A 26 0.134 7.976 -8.546 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.750 8.641 -11.243 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.808 10.452 -11.538 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.397 10.851 -10.330 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.966 11.716 -7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.330 11.853 -8.598 1.00 0.00 H new ATOM 542 N THR A 35 7.464 0.039 -15.027 1.00 0.00 N ATOM 543 CA THR A 35 6.284 0.700 -14.497 1.00 0.00 C ATOM 544 C THR A 35 6.281 0.786 -12.977 1.00 0.00 C ATOM 545 O THR A 35 5.950 -0.186 -12.303 1.00 0.00 O ATOM 546 CB THR A 35 4.999 -0.019 -14.949 1.00 0.00 C ATOM 547 OG1 THR A 35 4.908 0.018 -16.381 1.00 0.00 O ATOM 548 CG2 THR A 35 3.781 0.663 -14.337 1.00 0.00 C ATOM 0 HA THR A 35 6.312 1.714 -14.896 1.00 0.00 H new ATOM 0 HB THR A 35 5.030 -1.056 -14.615 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.091 -0.441 -16.669 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.876 0.150 -14.661 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.851 0.625 -13.250 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.744 1.703 -14.662 1.00 0.00 H new ATOM 556 N GLN A 36 6.681 1.940 -12.463 1.00 0.00 N ATOM 557 CA GLN A 36 6.602 2.245 -11.043 1.00 0.00 C ATOM 558 C GLN A 36 5.607 3.374 -10.822 1.00 0.00 C ATOM 559 O GLN A 36 5.596 4.326 -11.603 1.00 0.00 O ATOM 560 CB GLN A 36 7.968 2.663 -10.488 1.00 0.00 C ATOM 561 CG GLN A 36 9.053 1.599 -10.469 1.00 0.00 C ATOM 562 CD GLN A 36 10.377 2.104 -9.912 1.00 0.00 C ATOM 563 OE1 GLN A 36 10.937 3.094 -10.394 1.00 0.00 O ATOM 564 NE2 GLN A 36 10.891 1.432 -8.889 1.00 0.00 N ATOM 0 H GLN A 36 7.072 2.696 -13.024 1.00 0.00 H new ATOM 0 HA GLN A 36 6.277 1.346 -10.520 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.330 3.507 -11.075 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.826 3.022 -9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.713 0.753 -9.871 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.209 1.230 -11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.402 0.619 -8.516 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.775 1.729 -8.476 1.00 0.00 H new ATOM 573 N TRP A 37 4.780 3.264 -9.783 1.00 0.00 N ATOM 574 CA TRP A 37 3.816 4.310 -9.446 1.00 0.00 C ATOM 575 C TRP A 37 4.177 5.054 -8.180 1.00 0.00 C ATOM 576 O TRP A 37 4.763 4.498 -7.250 1.00 0.00 O ATOM 577 CB TRP A 37 2.389 3.771 -9.288 1.00 0.00 C ATOM 578 CG TRP A 37 1.756 3.366 -10.579 1.00 0.00 C ATOM 579 CD1 TRP A 37 2.276 3.571 -11.813 1.00 0.00 C ATOM 580 CD2 TRP A 37 0.489 2.704 -10.791 1.00 0.00 C ATOM 581 NE1 TRP A 37 1.446 3.086 -12.778 1.00 0.00 N ATOM 582 CE2 TRP A 37 0.347 2.541 -12.169 1.00 0.00 C ATOM 583 CE3 TRP A 37 -0.519 2.246 -9.936 1.00 0.00 C ATOM 584 CZ2 TRP A 37 -0.755 1.924 -12.714 1.00 0.00 C ATOM 585 CZ3 TRP A 37 -1.635 1.633 -10.493 1.00 0.00 C ATOM 586 CH2 TRP A 37 -1.749 1.472 -11.845 1.00 0.00 C ATOM 0 H TRP A 37 4.759 2.458 -9.158 1.00 0.00 H new ATOM 0 HA TRP A 37 3.855 4.996 -10.292 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.406 2.913 -8.616 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.772 4.534 -8.814 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.222 4.054 -12.006 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.614 3.123 -13.783 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.432 2.366 -8.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.848 1.793 -13.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.425 1.278 -9.847 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.625 0.986 -12.249 1.00 0.00 H new ATOM 597 N ILE A 38 3.796 6.329 -8.164 1.00 0.00 N ATOM 598 CA ILE A 38 4.034 7.218 -7.032 1.00 0.00 C ATOM 599 C ILE A 38 2.691 7.702 -6.517 1.00 0.00 C ATOM 600 O ILE A 38 1.899 8.272 -7.268 1.00 0.00 O ATOM 601 CB ILE A 38 4.918 8.427 -7.378 1.00 0.00 C ATOM 602 CG1 ILE A 38 6.290 7.959 -7.862 1.00 0.00 C ATOM 603 CG2 ILE A 38 5.061 9.311 -6.145 1.00 0.00 C ATOM 604 CD1 ILE A 38 7.134 9.081 -8.419 1.00 0.00 C ATOM 0 H ILE A 38 3.310 6.776 -8.942 1.00 0.00 H new ATOM 0 HA ILE A 38 4.575 6.650 -6.275 1.00 0.00 H new ATOM 0 HB ILE A 38 4.453 9.000 -8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.821 7.489 -7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.158 7.196 -8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.687 10.171 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.077 9.656 -5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.522 8.740 -5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.096 8.685 -8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.622 9.535 -9.267 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.295 9.833 -7.647 1.00 0.00 H new ATOM 616 N VAL A 39 2.409 7.465 -5.242 1.00 0.00 N ATOM 617 CA VAL A 39 1.111 7.911 -4.768 1.00 0.00 C ATOM 618 C VAL A 39 1.243 8.743 -3.494 1.00 0.00 C ATOM 619 O VAL A 39 2.222 8.623 -2.763 1.00 0.00 O ATOM 620 CB VAL A 39 0.238 6.696 -4.461 1.00 0.00 C ATOM 621 CG1 VAL A 39 0.082 5.786 -5.672 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.864 5.986 -3.307 1.00 0.00 C ATOM 0 H VAL A 39 3.012 7.001 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 39 0.661 8.525 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.774 7.012 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.546 4.935 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.382 6.341 -6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.062 5.430 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.269 5.108 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.874 5.675 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.907 6.655 -2.448 1.00 0.00 H new ATOM 632 N ASP A 40 0.242 9.565 -3.203 1.00 0.00 N ATOM 633 CA ASP A 40 0.246 10.373 -1.989 1.00 0.00 C ATOM 634 C ASP A 40 -0.758 9.801 -0.994 1.00 0.00 C ATOM 635 O ASP A 40 -1.916 9.571 -1.337 1.00 0.00 O ATOM 636 CB ASP A 40 -0.076 11.840 -2.294 1.00 0.00 C ATOM 637 CG ASP A 40 1.012 12.569 -3.081 1.00 0.00 C ATOM 638 OD1 ASP A 40 2.139 12.134 -3.058 1.00 0.00 O ATOM 639 OD2 ASP A 40 0.702 13.560 -3.699 1.00 0.00 O ATOM 0 H ASP A 40 -0.582 9.690 -3.790 1.00 0.00 H new ATOM 0 HA ASP A 40 1.245 10.341 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.009 11.886 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.244 12.366 -1.354 1.00 0.00 H new ATOM 644 N MET A 41 -0.343 9.589 0.252 1.00 0.00 N ATOM 645 CA MET A 41 -1.259 9.036 1.242 1.00 0.00 C ATOM 646 C MET A 41 -1.359 9.872 2.493 1.00 0.00 C ATOM 647 O MET A 41 -0.349 10.246 3.074 1.00 0.00 O ATOM 648 CB MET A 41 -0.813 7.645 1.649 1.00 0.00 C ATOM 649 CG MET A 41 -1.702 6.940 2.661 1.00 0.00 C ATOM 650 SD MET A 41 -1.160 5.247 2.978 1.00 0.00 S ATOM 651 CE MET A 41 0.337 5.501 3.918 1.00 0.00 C ATOM 0 H MET A 41 0.598 9.786 0.593 1.00 0.00 H new ATOM 0 HA MET A 41 -2.238 9.017 0.763 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.751 7.026 0.754 1.00 0.00 H new ATOM 0 HB3 MET A 41 0.194 7.712 2.061 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.702 7.501 3.596 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.729 6.929 2.295 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.800 4.538 4.132 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.028 6.116 3.342 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.097 6.004 4.855 1.00 0.00 H new ATOM 661 N GLU A 42 -2.580 10.174 2.912 1.00 0.00 N ATOM 662 CA GLU A 42 -2.778 10.944 4.133 1.00 0.00 C ATOM 663 C GLU A 42 -3.357 10.044 5.217 1.00 0.00 C ATOM 664 O GLU A 42 -4.309 9.307 4.954 1.00 0.00 O ATOM 665 CB GLU A 42 -3.685 12.141 3.871 1.00 0.00 C ATOM 666 CG GLU A 42 -3.922 13.031 5.080 1.00 0.00 C ATOM 667 CD GLU A 42 -4.763 14.232 4.743 1.00 0.00 C ATOM 668 OE1 GLU A 42 -5.076 14.402 3.589 1.00 0.00 O ATOM 669 OE2 GLU A 42 -5.093 14.982 5.631 1.00 0.00 O ATOM 0 H GLU A 42 -3.438 9.902 2.432 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.816 11.327 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.250 12.743 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.647 11.779 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.413 12.454 5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.963 13.361 5.480 1.00 0.00 H new ATOM 676 N GLY A 43 -2.776 10.076 6.417 1.00 0.00 N ATOM 677 CA GLY A 43 -3.289 9.242 7.497 1.00 0.00 C ATOM 678 C GLY A 43 -4.725 9.616 7.845 1.00 0.00 C ATOM 679 O GLY A 43 -5.090 10.792 7.925 1.00 0.00 O ATOM 0 H GLY A 43 -1.972 10.655 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.244 8.193 7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.657 9.354 8.378 1.00 0.00 H new ATOM 683 N ALA A 44 -5.515 8.582 8.115 1.00 0.00 N ATOM 684 CA ALA A 44 -6.943 8.700 8.378 1.00 0.00 C ATOM 685 C ALA A 44 -7.301 9.439 9.680 1.00 0.00 C ATOM 686 O ALA A 44 -6.603 9.275 10.687 1.00 0.00 O ATOM 687 CB ALA A 44 -7.559 7.310 8.433 1.00 0.00 C ATOM 0 H ALA A 44 -5.174 7.622 8.158 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.343 9.300 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.628 7.393 8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.404 6.805 7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.087 6.734 9.229 1.00 0.00 H new ATOM 693 N PRO A 45 -8.377 10.243 9.662 1.00 0.00 N ATOM 694 CA PRO A 45 -8.911 10.953 10.804 1.00 0.00 C ATOM 695 C PRO A 45 -9.227 10.048 11.973 1.00 0.00 C ATOM 696 O PRO A 45 -9.866 9.007 11.815 1.00 0.00 O ATOM 697 CB PRO A 45 -10.175 11.579 10.205 1.00 0.00 C ATOM 698 CG PRO A 45 -9.845 11.759 8.754 1.00 0.00 C ATOM 699 CD PRO A 45 -9.005 10.568 8.372 1.00 0.00 C ATOM 0 HA PRO A 45 -8.211 11.670 11.233 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.042 10.932 10.339 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.412 12.531 10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.751 11.808 8.150 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.302 12.689 8.589 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.607 9.745 7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.270 10.811 7.605 1.00 0.00 H new ATOM 707 N GLY A 46 -8.792 10.464 13.156 1.00 0.00 N ATOM 708 CA GLY A 46 -9.024 9.690 14.361 1.00 0.00 C ATOM 709 C GLY A 46 -7.905 8.695 14.645 1.00 0.00 C ATOM 710 O GLY A 46 -7.924 8.045 15.693 1.00 0.00 O ATOM 0 H GLY A 46 -8.278 11.332 13.303 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.126 10.367 15.209 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.968 9.152 14.267 1.00 0.00 H new ATOM 714 N THR A 47 -6.934 8.556 13.737 1.00 0.00 N ATOM 715 CA THR A 47 -5.852 7.620 13.991 1.00 0.00 C ATOM 716 C THR A 47 -4.629 8.393 14.413 1.00 0.00 C ATOM 717 O THR A 47 -4.579 9.621 14.332 1.00 0.00 O ATOM 718 CB THR A 47 -5.433 6.806 12.756 1.00 0.00 C ATOM 719 OG1 THR A 47 -4.780 7.682 11.828 1.00 0.00 O ATOM 720 CG2 THR A 47 -6.662 6.197 12.101 1.00 0.00 C ATOM 0 H THR A 47 -6.879 9.062 12.853 1.00 0.00 H new ATOM 0 HA THR A 47 -6.223 6.935 14.753 1.00 0.00 H new ATOM 0 HB THR A 47 -4.756 6.005 13.054 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.452 8.129 11.272 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.360 5.621 11.226 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.166 5.541 12.811 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.343 6.991 11.795 1.00 0.00 H new ATOM 728 N LEU A 48 -3.603 7.649 14.793 1.00 0.00 N ATOM 729 CA LEU A 48 -2.342 8.223 15.223 1.00 0.00 C ATOM 730 C LEU A 48 -1.578 8.898 14.091 1.00 0.00 C ATOM 731 O LEU A 48 -0.610 9.611 14.358 1.00 0.00 O ATOM 732 CB LEU A 48 -1.450 7.129 15.813 1.00 0.00 C ATOM 733 CG LEU A 48 -1.937 6.481 17.110 1.00 0.00 C ATOM 734 CD1 LEU A 48 -1.000 5.335 17.464 1.00 0.00 C ATOM 735 CD2 LEU A 48 -1.973 7.528 18.213 1.00 0.00 C ATOM 0 H LEU A 48 -3.623 6.629 14.811 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.587 8.982 15.966 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.329 6.346 15.064 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.462 7.553 15.993 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.945 6.084 16.989 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.335 4.863 18.388 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.004 4.600 16.659 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.011 5.720 17.599 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.320 7.069 19.139 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.973 7.934 18.362 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.653 8.332 17.930 1.00 0.00 H new ATOM 747 N TYR A 49 -1.990 8.686 12.837 1.00 0.00 N ATOM 748 CA TYR A 49 -1.259 9.264 11.733 1.00 0.00 C ATOM 749 C TYR A 49 -2.110 10.326 11.043 1.00 0.00 C ATOM 750 O TYR A 49 -1.757 10.750 9.945 1.00 0.00 O ATOM 751 CB TYR A 49 -0.878 8.129 10.787 1.00 0.00 C ATOM 752 CG TYR A 49 -0.178 7.064 11.600 1.00 0.00 C ATOM 753 CD1 TYR A 49 1.149 7.153 11.998 1.00 0.00 C ATOM 754 CD2 TYR A 49 -0.940 5.974 11.982 1.00 0.00 C ATOM 755 CE1 TYR A 49 1.696 6.143 12.777 1.00 0.00 C ATOM 756 CE2 TYR A 49 -0.392 4.974 12.749 1.00 0.00 C ATOM 757 CZ TYR A 49 0.928 5.058 13.151 1.00 0.00 C ATOM 758 OH TYR A 49 1.423 4.037 13.927 1.00 0.00 O ATOM 0 H TYR A 49 -2.806 8.132 12.577 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.353 9.763 12.076 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.766 7.719 10.305 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.225 8.495 9.995 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.750 8.001 11.704 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.973 5.909 11.675 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.727 6.206 13.092 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.992 4.123 13.037 1.00 0.00 H new ATOM 0 HH TYR A 49 2.316 4.276 14.252 1.00 0.00 H new ATOM 768 N GLU A 50 -3.205 10.756 11.686 1.00 0.00 N ATOM 769 CA GLU A 50 -4.123 11.742 11.122 1.00 0.00 C ATOM 770 C GLU A 50 -3.502 12.997 10.540 1.00 0.00 C ATOM 771 O GLU A 50 -2.991 13.851 11.267 1.00 0.00 O ATOM 772 CB GLU A 50 -5.131 12.184 12.179 1.00 0.00 C ATOM 773 CG GLU A 50 -6.078 13.261 11.666 1.00 0.00 C ATOM 774 CD GLU A 50 -7.149 13.658 12.644 1.00 0.00 C ATOM 775 OE1 GLU A 50 -7.382 12.928 13.578 1.00 0.00 O ATOM 776 OE2 GLU A 50 -7.741 14.693 12.454 1.00 0.00 O ATOM 0 H GLU A 50 -3.475 10.426 12.613 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.577 11.210 10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.711 11.321 12.507 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.597 12.560 13.052 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.497 14.145 11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.551 12.906 10.750 1.00 0.00 H new ATOM 783 N GLY A 51 -3.557 13.100 9.214 1.00 0.00 N ATOM 784 CA GLY A 51 -3.032 14.259 8.503 1.00 0.00 C ATOM 785 C GLY A 51 -1.578 14.124 8.061 1.00 0.00 C ATOM 786 O GLY A 51 -1.074 14.976 7.326 1.00 0.00 O ATOM 0 H GLY A 51 -3.964 12.388 8.608 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.650 14.441 7.624 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.124 15.135 9.145 1.00 0.00 H new ATOM 790 N GLU A 52 -0.899 13.069 8.501 1.00 0.00 N ATOM 791 CA GLU A 52 0.492 12.863 8.135 1.00 0.00 C ATOM 792 C GLU A 52 0.531 12.340 6.717 1.00 0.00 C ATOM 793 O GLU A 52 -0.230 11.441 6.362 1.00 0.00 O ATOM 794 CB GLU A 52 1.178 11.896 9.099 1.00 0.00 C ATOM 795 CG GLU A 52 2.668 11.720 8.859 1.00 0.00 C ATOM 796 CD GLU A 52 3.310 10.820 9.875 1.00 0.00 C ATOM 797 OE1 GLU A 52 2.615 10.315 10.723 1.00 0.00 O ATOM 798 OE2 GLU A 52 4.502 10.642 9.806 1.00 0.00 O ATOM 0 H GLU A 52 -1.290 12.349 9.108 1.00 0.00 H new ATOM 0 HA GLU A 52 1.036 13.806 8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.026 12.250 10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.693 10.923 9.024 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.826 11.309 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.155 12.695 8.883 1.00 0.00 H new ATOM 805 N LYS A 53 1.392 12.911 5.885 1.00 0.00 N ATOM 806 CA LYS A 53 1.411 12.437 4.514 1.00 0.00 C ATOM 807 C LYS A 53 2.667 11.656 4.169 1.00 0.00 C ATOM 808 O LYS A 53 3.769 11.974 4.619 1.00 0.00 O ATOM 809 CB LYS A 53 1.198 13.607 3.563 1.00 0.00 C ATOM 810 CG LYS A 53 -0.195 14.209 3.715 1.00 0.00 C ATOM 811 CD LYS A 53 -0.450 15.337 2.731 1.00 0.00 C ATOM 812 CE LYS A 53 -1.850 15.907 2.914 1.00 0.00 C ATOM 813 NZ LYS A 53 -2.126 17.024 1.968 1.00 0.00 N ATOM 0 H LYS A 53 2.048 13.657 6.117 1.00 0.00 H new ATOM 0 HA LYS A 53 0.590 11.729 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.949 14.373 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.340 13.272 2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.942 13.429 3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.317 14.583 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.290 16.125 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.332 14.970 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.586 15.116 2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.966 16.262 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.089 17.383 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.441 17.790 2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.041 16.680 0.990 1.00 0.00 H new ATOM 827 N PHE A 54 2.467 10.626 3.350 1.00 0.00 N ATOM 828 CA PHE A 54 3.527 9.721 2.946 1.00 0.00 C ATOM 829 C PHE A 54 3.521 9.577 1.430 1.00 0.00 C ATOM 830 O PHE A 54 2.469 9.704 0.802 1.00 0.00 O ATOM 831 CB PHE A 54 3.130 8.339 3.472 1.00 0.00 C ATOM 832 CG PHE A 54 2.854 8.316 4.950 1.00 0.00 C ATOM 833 CD1 PHE A 54 3.843 8.163 5.905 1.00 0.00 C ATOM 834 CD2 PHE A 54 1.539 8.471 5.376 1.00 0.00 C ATOM 835 CE1 PHE A 54 3.508 8.163 7.246 1.00 0.00 C ATOM 836 CE2 PHE A 54 1.205 8.465 6.714 1.00 0.00 C ATOM 837 CZ PHE A 54 2.196 8.308 7.653 1.00 0.00 C ATOM 0 H PHE A 54 1.557 10.399 2.948 1.00 0.00 H new ATOM 0 HA PHE A 54 4.489 10.083 3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.242 7.998 2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.928 7.631 3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.873 8.044 5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.759 8.599 4.640 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.285 8.048 7.988 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.176 8.582 7.020 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.950 8.298 8.705 1.00 0.00 H new ATOM 847 N GLN A 55 4.669 9.334 0.804 1.00 0.00 N ATOM 848 CA GLN A 55 4.586 9.071 -0.627 1.00 0.00 C ATOM 849 C GLN A 55 4.933 7.612 -0.802 1.00 0.00 C ATOM 850 O GLN A 55 5.838 7.107 -0.146 1.00 0.00 O ATOM 851 CB GLN A 55 5.477 9.984 -1.463 1.00 0.00 C ATOM 852 CG GLN A 55 5.033 11.430 -1.381 1.00 0.00 C ATOM 853 CD GLN A 55 5.770 12.350 -2.330 1.00 0.00 C ATOM 854 OE1 GLN A 55 6.996 12.497 -2.293 1.00 0.00 O ATOM 855 NE2 GLN A 55 4.995 12.978 -3.209 1.00 0.00 N ATOM 0 H GLN A 55 5.598 9.313 1.224 1.00 0.00 H new ATOM 0 HA GLN A 55 3.582 9.287 -0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.508 9.900 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.460 9.657 -2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.965 11.485 -1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.175 11.787 -0.361 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.987 12.825 -3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.409 13.613 -3.891 1.00 0.00 H new ATOM 864 N LEU A 56 4.235 6.910 -1.687 1.00 0.00 N ATOM 865 CA LEU A 56 4.541 5.491 -1.767 1.00 0.00 C ATOM 866 C LEU A 56 4.851 5.020 -3.163 1.00 0.00 C ATOM 867 O LEU A 56 4.360 5.539 -4.163 1.00 0.00 O ATOM 868 CB LEU A 56 3.389 4.646 -1.213 1.00 0.00 C ATOM 869 CG LEU A 56 2.974 4.957 0.223 1.00 0.00 C ATOM 870 CD1 LEU A 56 1.919 6.047 0.235 1.00 0.00 C ATOM 871 CD2 LEU A 56 2.447 3.696 0.860 1.00 0.00 C ATOM 0 H LEU A 56 3.511 7.264 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 56 5.438 5.359 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.522 4.778 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.672 3.595 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 56 3.833 5.314 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.629 6.262 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.323 6.949 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.046 5.714 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.147 3.905 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.586 3.336 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.226 2.934 0.858 1.00 0.00 H new ATOM 883 N LEU A 57 5.696 4.003 -3.180 1.00 0.00 N ATOM 884 CA LEU A 57 6.186 3.343 -4.368 1.00 0.00 C ATOM 885 C LEU A 57 5.513 2.010 -4.603 1.00 0.00 C ATOM 886 O LEU A 57 5.415 1.181 -3.694 1.00 0.00 O ATOM 887 CB LEU A 57 7.691 3.087 -4.274 1.00 0.00 C ATOM 888 CG LEU A 57 8.276 2.310 -5.462 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.168 3.171 -6.708 1.00 0.00 C ATOM 890 CD2 LEU A 57 9.719 1.927 -5.177 1.00 0.00 C ATOM 0 H LEU A 57 6.074 3.600 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 57 5.959 4.016 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.206 4.044 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.897 2.535 -3.357 1.00 0.00 H new ATOM 0 HG LEU A 57 7.717 1.387 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.580 2.631 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.121 3.405 -6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.725 4.096 -6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.124 1.376 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.309 2.829 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.760 1.301 -4.286 1.00 0.00 H new ATOM 902 N PHE A 58 5.019 1.840 -5.826 1.00 0.00 N ATOM 903 CA PHE A 58 4.467 0.570 -6.266 1.00 0.00 C ATOM 904 C PHE A 58 5.248 0.114 -7.484 1.00 0.00 C ATOM 905 O PHE A 58 5.010 0.577 -8.599 1.00 0.00 O ATOM 906 CB PHE A 58 2.972 0.592 -6.545 1.00 0.00 C ATOM 907 CG PHE A 58 2.180 0.915 -5.322 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.144 0.016 -4.268 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.506 2.118 -5.206 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.441 0.310 -3.118 1.00 0.00 C ATOM 911 CE2 PHE A 58 0.794 2.398 -4.057 1.00 0.00 C ATOM 912 CZ PHE A 58 0.759 1.502 -3.013 1.00 0.00 C ATOM 0 H PHE A 58 4.992 2.575 -6.533 1.00 0.00 H new ATOM 0 HA PHE A 58 4.573 -0.137 -5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.759 1.328 -7.320 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.661 -0.378 -6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.671 -0.923 -4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.537 2.836 -6.012 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.425 -0.395 -2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.258 3.332 -3.976 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.201 1.732 -2.118 1.00 0.00 H new ATOM 922 N LYS A 59 6.240 -0.739 -7.267 1.00 0.00 N ATOM 923 CA LYS A 59 7.032 -1.202 -8.403 1.00 0.00 C ATOM 924 C LYS A 59 6.343 -2.382 -9.052 1.00 0.00 C ATOM 925 O LYS A 59 6.155 -3.415 -8.411 1.00 0.00 O ATOM 926 CB LYS A 59 8.438 -1.605 -7.971 1.00 0.00 C ATOM 927 CG LYS A 59 9.395 -2.028 -9.077 1.00 0.00 C ATOM 928 CD LYS A 59 10.751 -2.373 -8.476 1.00 0.00 C ATOM 929 CE LYS A 59 11.758 -2.830 -9.521 1.00 0.00 C ATOM 930 NZ LYS A 59 13.061 -3.199 -8.897 1.00 0.00 N ATOM 0 H LYS A 59 6.510 -1.113 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 59 7.118 -0.382 -9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.884 -0.766 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.354 -2.427 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.993 -2.889 -9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.503 -1.224 -9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.145 -1.501 -7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.624 -3.159 -7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.358 -3.686 -10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.914 -2.035 -10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.725 -3.506 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.454 -2.374 -8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.914 -3.974 -8.220 1.00 0.00 H new ATOM 944 N PHE A 60 5.989 -2.266 -10.325 1.00 0.00 N ATOM 945 CA PHE A 60 5.307 -3.383 -10.957 1.00 0.00 C ATOM 946 C PHE A 60 6.201 -4.148 -11.913 1.00 0.00 C ATOM 947 O PHE A 60 7.007 -3.573 -12.647 1.00 0.00 O ATOM 948 CB PHE A 60 4.101 -2.882 -11.749 1.00 0.00 C ATOM 949 CG PHE A 60 3.038 -2.277 -10.886 1.00 0.00 C ATOM 950 CD1 PHE A 60 2.033 -3.055 -10.334 1.00 0.00 C ATOM 951 CD2 PHE A 60 3.053 -0.918 -10.626 1.00 0.00 C ATOM 952 CE1 PHE A 60 1.066 -2.480 -9.534 1.00 0.00 C ATOM 953 CE2 PHE A 60 2.091 -0.349 -9.827 1.00 0.00 C ATOM 954 CZ PHE A 60 1.099 -1.124 -9.280 1.00 0.00 C ATOM 0 H PHE A 60 6.153 -1.451 -10.916 1.00 0.00 H new ATOM 0 HA PHE A 60 5.003 -4.051 -10.151 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.434 -2.142 -12.476 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.674 -3.712 -12.312 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.006 -4.117 -10.531 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.827 -0.299 -11.055 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.284 -3.091 -9.107 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.115 0.712 -9.629 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.345 -0.673 -8.652 1.00 0.00 H new ATOM 964 N SER A 61 6.039 -5.464 -11.873 1.00 0.00 N ATOM 965 CA SER A 61 6.743 -6.383 -12.749 1.00 0.00 C ATOM 966 C SER A 61 5.917 -6.525 -14.012 1.00 0.00 C ATOM 967 O SER A 61 4.790 -6.031 -14.074 1.00 0.00 O ATOM 968 CB SER A 61 6.943 -7.734 -12.091 1.00 0.00 C ATOM 969 OG SER A 61 5.721 -8.398 -11.943 1.00 0.00 O ATOM 0 H SER A 61 5.405 -5.927 -11.221 1.00 0.00 H new ATOM 0 HA SER A 61 7.736 -5.994 -12.975 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.621 -8.340 -12.692 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.412 -7.603 -11.116 1.00 0.00 H new ATOM 0 HG SER A 61 5.882 -9.358 -11.826 1.00 0.00 H new ATOM 975 N SER A 62 6.475 -7.196 -15.014 1.00 0.00 N ATOM 976 CA SER A 62 5.766 -7.425 -16.267 1.00 0.00 C ATOM 977 C SER A 62 4.502 -8.249 -16.044 1.00 0.00 C ATOM 978 O SER A 62 3.458 -7.966 -16.629 1.00 0.00 O ATOM 979 CB SER A 62 6.666 -8.138 -17.257 1.00 0.00 C ATOM 980 OG SER A 62 7.745 -7.328 -17.637 1.00 0.00 O ATOM 0 H SER A 62 7.415 -7.590 -14.983 1.00 0.00 H new ATOM 0 HA SER A 62 5.480 -6.453 -16.669 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.039 -9.061 -16.813 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.090 -8.418 -18.139 1.00 0.00 H new ATOM 0 HG SER A 62 8.310 -7.813 -18.274 1.00 0.00 H new ATOM 986 N ARG A 63 4.584 -9.247 -15.167 1.00 0.00 N ATOM 987 CA ARG A 63 3.485 -10.162 -14.870 1.00 0.00 C ATOM 988 C ARG A 63 2.358 -9.630 -13.972 1.00 0.00 C ATOM 989 O ARG A 63 2.133 -10.160 -12.885 1.00 0.00 O ATOM 990 CB ARG A 63 4.044 -11.416 -14.222 1.00 0.00 C ATOM 991 CG ARG A 63 4.869 -12.330 -15.114 1.00 0.00 C ATOM 992 CD ARG A 63 5.157 -13.597 -14.393 1.00 0.00 C ATOM 993 NE ARG A 63 6.040 -13.368 -13.263 1.00 0.00 N ATOM 994 CZ ARG A 63 7.383 -13.431 -13.291 1.00 0.00 C ATOM 995 NH1 ARG A 63 8.034 -13.759 -14.385 1.00 0.00 N ATOM 996 NH2 ARG A 63 8.017 -13.150 -12.169 1.00 0.00 N ATOM 0 H ARG A 63 5.431 -9.446 -14.634 1.00 0.00 H new ATOM 0 HA ARG A 63 3.020 -10.338 -15.840 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.662 -11.116 -13.376 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.211 -11.993 -13.820 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.329 -12.539 -16.037 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.801 -11.838 -15.394 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.224 -14.041 -14.045 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.615 -14.312 -15.077 1.00 0.00 H new ATOM 0 HE ARG A 63 5.603 -13.139 -12.370 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.520 -13.973 -15.240 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.053 -13.799 -14.379 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.488 -12.900 -11.333 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.036 -13.183 -12.137 1.00 0.00 H new ATOM 1010 N TYR A 64 1.663 -8.584 -14.413 1.00 0.00 N ATOM 1011 CA TYR A 64 0.563 -8.002 -13.643 1.00 0.00 C ATOM 1012 C TYR A 64 -0.787 -8.613 -14.048 1.00 0.00 C ATOM 1013 O TYR A 64 -1.118 -8.625 -15.235 1.00 0.00 O ATOM 1014 CB TYR A 64 0.510 -6.481 -13.813 1.00 0.00 C ATOM 1015 CG TYR A 64 -0.579 -5.871 -12.963 1.00 0.00 C ATOM 1016 CD1 TYR A 64 -0.341 -5.761 -11.603 1.00 0.00 C ATOM 1017 CD2 TYR A 64 -1.785 -5.438 -13.501 1.00 0.00 C ATOM 1018 CE1 TYR A 64 -1.299 -5.227 -10.771 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -2.747 -4.890 -12.666 1.00 0.00 C ATOM 1020 CZ TYR A 64 -2.502 -4.788 -11.306 1.00 0.00 C ATOM 1021 OH TYR A 64 -3.425 -4.251 -10.439 1.00 0.00 O ATOM 0 H TYR A 64 1.842 -8.119 -15.303 1.00 0.00 H new ATOM 0 HA TYR A 64 0.751 -8.232 -12.594 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.473 -6.049 -13.540 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.337 -6.236 -14.861 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.601 -6.096 -11.193 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.972 -5.528 -14.561 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.116 -5.150 -9.709 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.685 -4.544 -13.075 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.204 -3.937 -10.944 1.00 0.00 H new ATOM 1031 N PRO A 65 -1.603 -9.100 -13.106 1.00 0.00 N ATOM 1032 CA PRO A 65 -1.469 -9.140 -11.658 1.00 0.00 C ATOM 1033 C PRO A 65 -1.113 -10.491 -11.075 1.00 0.00 C ATOM 1034 O PRO A 65 -1.738 -10.928 -10.114 1.00 0.00 O ATOM 1035 CB PRO A 65 -2.877 -8.712 -11.237 1.00 0.00 C ATOM 1036 CG PRO A 65 -3.767 -9.299 -12.287 1.00 0.00 C ATOM 1037 CD PRO A 65 -2.988 -9.187 -13.580 1.00 0.00 C ATOM 0 HA PRO A 65 -0.646 -8.520 -11.303 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.128 -9.089 -10.246 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.969 -7.627 -11.198 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.008 -10.338 -12.062 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.712 -8.759 -12.349 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.143 -10.052 -14.224 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.277 -8.306 -14.154 1.00 0.00 H new ATOM 1045 N PHE A 66 -0.159 -11.186 -11.674 1.00 0.00 N ATOM 1046 CA PHE A 66 0.283 -12.473 -11.156 1.00 0.00 C ATOM 1047 C PHE A 66 1.120 -12.221 -9.905 1.00 0.00 C ATOM 1048 O PHE A 66 0.909 -12.837 -8.859 1.00 0.00 O ATOM 1049 CB PHE A 66 1.076 -13.227 -12.219 1.00 0.00 C ATOM 1050 CG PHE A 66 1.593 -14.570 -11.803 1.00 0.00 C ATOM 1051 CD1 PHE A 66 0.751 -15.668 -11.731 1.00 0.00 C ATOM 1052 CD2 PHE A 66 2.931 -14.736 -11.486 1.00 0.00 C ATOM 1053 CE1 PHE A 66 1.239 -16.905 -11.352 1.00 0.00 C ATOM 1054 CE2 PHE A 66 3.423 -15.968 -11.106 1.00 0.00 C ATOM 1055 CZ PHE A 66 2.574 -17.055 -11.039 1.00 0.00 C ATOM 0 H PHE A 66 0.324 -10.882 -12.519 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.574 -13.094 -10.895 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.443 -13.356 -13.097 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.921 -12.610 -12.524 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.296 -15.557 -11.973 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.599 -13.889 -11.537 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.574 -17.755 -11.301 1.00 0.00 H new ATOM 0 HE2 PHE A 66 4.469 -16.082 -10.862 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.955 -18.021 -10.742 1.00 0.00 H new ATOM 1065 N ASP A 67 2.092 -11.321 -10.047 1.00 0.00 N ATOM 1066 CA ASP A 67 2.972 -10.911 -8.955 1.00 0.00 C ATOM 1067 C ASP A 67 2.498 -9.628 -8.271 1.00 0.00 C ATOM 1068 O ASP A 67 1.890 -8.768 -8.911 1.00 0.00 O ATOM 1069 CB ASP A 67 4.392 -10.693 -9.475 1.00 0.00 C ATOM 1070 CG ASP A 67 5.099 -11.965 -9.916 1.00 0.00 C ATOM 1071 OD1 ASP A 67 4.846 -13.006 -9.360 1.00 0.00 O ATOM 1072 OD2 ASP A 67 5.896 -11.882 -10.821 1.00 0.00 O ATOM 0 H ASP A 67 2.292 -10.852 -10.931 1.00 0.00 H new ATOM 0 HA ASP A 67 2.952 -11.716 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.356 -10.001 -10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.983 -10.215 -8.694 1.00 0.00 H new ATOM 1077 N SER A 68 2.772 -9.506 -6.970 1.00 0.00 N ATOM 1078 CA SER A 68 2.412 -8.296 -6.236 1.00 0.00 C ATOM 1079 C SER A 68 3.444 -7.207 -6.527 1.00 0.00 C ATOM 1080 O SER A 68 4.567 -7.537 -6.909 1.00 0.00 O ATOM 1081 CB SER A 68 2.370 -8.561 -4.735 1.00 0.00 C ATOM 1082 OG SER A 68 3.636 -8.821 -4.191 1.00 0.00 O ATOM 0 H SER A 68 3.236 -10.222 -6.411 1.00 0.00 H new ATOM 0 HA SER A 68 1.422 -7.975 -6.559 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.934 -7.699 -4.231 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.715 -9.410 -4.539 1.00 0.00 H new ATOM 0 HG SER A 68 3.559 -8.931 -3.220 1.00 0.00 H new ATOM 1088 N PRO A 69 3.112 -5.921 -6.367 1.00 0.00 N ATOM 1089 CA PRO A 69 4.044 -4.829 -6.533 1.00 0.00 C ATOM 1090 C PRO A 69 4.991 -4.683 -5.354 1.00 0.00 C ATOM 1091 O PRO A 69 4.683 -5.141 -4.254 1.00 0.00 O ATOM 1092 CB PRO A 69 3.093 -3.638 -6.665 1.00 0.00 C ATOM 1093 CG PRO A 69 1.856 -4.049 -5.913 1.00 0.00 C ATOM 1094 CD PRO A 69 1.704 -5.542 -6.170 1.00 0.00 C ATOM 0 HA PRO A 69 4.720 -4.954 -7.379 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.531 -2.734 -6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.868 -3.425 -7.710 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.957 -3.842 -4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.982 -3.499 -6.263 1.00 0.00 H new ATOM 0 HD2 PRO A 69 1.247 -6.064 -5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.091 -5.752 -7.046 1.00 0.00 H new ATOM 1102 N GLN A 70 6.147 -4.065 -5.573 1.00 0.00 N ATOM 1103 CA GLN A 70 7.017 -3.821 -4.431 1.00 0.00 C ATOM 1104 C GLN A 70 6.365 -2.675 -3.697 1.00 0.00 C ATOM 1105 O GLN A 70 6.128 -1.631 -4.301 1.00 0.00 O ATOM 1106 CB GLN A 70 8.450 -3.450 -4.800 1.00 0.00 C ATOM 1107 CG GLN A 70 9.363 -3.289 -3.598 1.00 0.00 C ATOM 1108 CD GLN A 70 10.794 -2.973 -3.985 1.00 0.00 C ATOM 1109 OE1 GLN A 70 11.152 -2.951 -5.166 1.00 0.00 O ATOM 1110 NE2 GLN A 70 11.627 -2.724 -2.981 1.00 0.00 N ATOM 0 H GLN A 70 6.489 -3.740 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 70 7.115 -4.733 -3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.858 -4.219 -5.456 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.441 -2.519 -5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.980 -2.492 -2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.345 -4.206 -3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.289 -2.753 -2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.605 -2.504 -3.172 1.00 0.00 H new ATOM 1119 N VAL A 71 6.086 -2.866 -2.411 1.00 0.00 N ATOM 1120 CA VAL A 71 5.412 -1.850 -1.612 1.00 0.00 C ATOM 1121 C VAL A 71 6.297 -1.174 -0.569 1.00 0.00 C ATOM 1122 O VAL A 71 6.799 -1.822 0.351 1.00 0.00 O ATOM 1123 CB VAL A 71 4.206 -2.478 -0.886 1.00 0.00 C ATOM 1124 CG1 VAL A 71 3.550 -1.420 -0.032 1.00 0.00 C ATOM 1125 CG2 VAL A 71 3.205 -3.037 -1.889 1.00 0.00 C ATOM 0 H VAL A 71 6.317 -3.718 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 71 5.109 -1.078 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 71 4.550 -3.301 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.694 -1.851 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.267 -1.046 0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.214 -0.598 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.362 -3.476 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.848 -2.234 -2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.688 -3.802 -2.497 1.00 0.00 H new ATOM 1135 N MET A 72 6.485 0.135 -0.725 1.00 0.00 N ATOM 1136 CA MET A 72 7.283 0.895 0.237 1.00 0.00 C ATOM 1137 C MET A 72 6.914 2.375 0.222 1.00 0.00 C ATOM 1138 O MET A 72 6.202 2.816 -0.675 1.00 0.00 O ATOM 1139 CB MET A 72 8.772 0.706 -0.032 1.00 0.00 C ATOM 1140 CG MET A 72 9.263 1.242 -1.360 1.00 0.00 C ATOM 1141 SD MET A 72 11.033 0.991 -1.573 1.00 0.00 S ATOM 1142 CE MET A 72 11.629 2.192 -0.385 1.00 0.00 C ATOM 0 H MET A 72 6.103 0.685 -1.495 1.00 0.00 H new ATOM 0 HA MET A 72 7.060 0.510 1.232 1.00 0.00 H new ATOM 0 HB2 MET A 72 9.333 1.191 0.767 1.00 0.00 H new ATOM 0 HB3 MET A 72 9.001 -0.358 0.019 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.726 0.749 -2.171 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.037 2.306 -1.428 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.659 2.457 -0.622 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.006 3.085 -0.427 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.585 1.765 0.617 1.00 0.00 H new ATOM 1152 N PHE A 73 7.378 3.140 1.208 1.00 0.00 N ATOM 1153 CA PHE A 73 7.045 4.561 1.247 1.00 0.00 C ATOM 1154 C PHE A 73 8.234 5.421 1.651 1.00 0.00 C ATOM 1155 O PHE A 73 9.247 4.924 2.140 1.00 0.00 O ATOM 1156 CB PHE A 73 5.955 4.850 2.279 1.00 0.00 C ATOM 1157 CG PHE A 73 6.434 4.699 3.683 1.00 0.00 C ATOM 1158 CD1 PHE A 73 6.477 3.461 4.285 1.00 0.00 C ATOM 1159 CD2 PHE A 73 6.870 5.810 4.390 1.00 0.00 C ATOM 1160 CE1 PHE A 73 6.945 3.318 5.569 1.00 0.00 C ATOM 1161 CE2 PHE A 73 7.340 5.677 5.676 1.00 0.00 C ATOM 1162 CZ PHE A 73 7.380 4.431 6.259 1.00 0.00 C ATOM 0 H PHE A 73 7.970 2.811 1.971 1.00 0.00 H new ATOM 0 HA PHE A 73 6.717 4.803 0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.583 5.864 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.115 4.176 2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.139 2.592 3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.840 6.786 3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.972 2.344 6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.675 6.545 6.225 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.755 4.323 7.266 1.00 0.00 H new ATOM 1172 N THR A 74 8.094 6.725 1.432 1.00 0.00 N ATOM 1173 CA THR A 74 9.134 7.689 1.741 1.00 0.00 C ATOM 1174 C THR A 74 8.598 9.023 2.238 1.00 0.00 C ATOM 1175 O THR A 74 7.458 9.426 1.992 1.00 0.00 O ATOM 1176 CB THR A 74 10.010 7.971 0.514 1.00 0.00 C ATOM 1177 OG1 THR A 74 11.108 8.806 0.908 1.00 0.00 O ATOM 1178 CG2 THR A 74 9.191 8.679 -0.557 1.00 0.00 C ATOM 0 H THR A 74 7.252 7.140 1.034 1.00 0.00 H new ATOM 0 HA THR A 74 9.714 7.227 2.540 1.00 0.00 H new ATOM 0 HB THR A 74 10.384 7.031 0.109 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.675 8.990 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.820 8.876 -1.425 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.353 8.047 -0.852 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.813 9.622 -0.162 1.00 0.00 H new ATOM 1186 N GLY A 75 9.462 9.707 2.974 1.00 0.00 N ATOM 1187 CA GLY A 75 9.137 11.004 3.545 1.00 0.00 C ATOM 1188 C GLY A 75 10.153 11.402 4.604 1.00 0.00 C ATOM 1189 O GLY A 75 11.143 10.706 4.831 1.00 0.00 O ATOM 0 H GLY A 75 10.403 9.380 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.113 11.757 2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.140 10.972 3.985 1.00 0.00 H new ATOM 1193 N GLU A 76 9.894 12.531 5.254 1.00 0.00 N ATOM 1194 CA GLU A 76 10.756 13.065 6.302 1.00 0.00 C ATOM 1195 C GLU A 76 10.420 12.536 7.696 1.00 0.00 C ATOM 1196 O GLU A 76 11.128 12.836 8.657 1.00 0.00 O ATOM 1197 CB GLU A 76 10.673 14.592 6.312 1.00 0.00 C ATOM 1198 CG GLU A 76 11.217 15.258 5.056 1.00 0.00 C ATOM 1199 CD GLU A 76 11.095 16.756 5.088 1.00 0.00 C ATOM 1200 OE1 GLU A 76 10.541 17.269 6.031 1.00 0.00 O ATOM 1201 OE2 GLU A 76 11.558 17.389 4.169 1.00 0.00 O ATOM 0 H GLU A 76 9.073 13.106 5.067 1.00 0.00 H new ATOM 0 HA GLU A 76 11.767 12.731 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.632 14.887 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.222 14.968 7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.265 14.987 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.683 14.874 4.187 1.00 0.00 H new ATOM 1208 N ASN A 77 9.345 11.761 7.812 1.00 0.00 N ATOM 1209 CA ASN A 77 8.919 11.246 9.103 1.00 0.00 C ATOM 1210 C ASN A 77 8.442 9.800 9.023 1.00 0.00 C ATOM 1211 O ASN A 77 7.359 9.526 8.505 1.00 0.00 O ATOM 1212 CB ASN A 77 7.821 12.129 9.673 1.00 0.00 C ATOM 1213 CG ASN A 77 7.410 11.749 11.069 1.00 0.00 C ATOM 1214 OD1 ASN A 77 7.977 10.833 11.675 1.00 0.00 O ATOM 1215 ND2 ASN A 77 6.430 12.440 11.593 1.00 0.00 N ATOM 0 H ASN A 77 8.757 11.478 7.028 1.00 0.00 H new ATOM 0 HA ASN A 77 9.786 11.261 9.764 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.161 13.165 9.672 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.950 12.079 9.020 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.106 12.231 12.537 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.990 13.188 11.057 1.00 0.00 H new ATOM 1222 N ILE A 78 9.269 8.877 9.507 1.00 0.00 N ATOM 1223 CA ILE A 78 8.887 7.472 9.541 1.00 0.00 C ATOM 1224 C ILE A 78 7.908 7.278 10.699 1.00 0.00 C ATOM 1225 O ILE A 78 8.258 7.605 11.834 1.00 0.00 O ATOM 1226 CB ILE A 78 10.105 6.547 9.751 1.00 0.00 C ATOM 1227 CG1 ILE A 78 11.119 6.732 8.621 1.00 0.00 C ATOM 1228 CG2 ILE A 78 9.660 5.096 9.855 1.00 0.00 C ATOM 1229 CD1 ILE A 78 10.563 6.394 7.258 1.00 0.00 C ATOM 0 H ILE A 78 10.198 9.076 9.877 1.00 0.00 H new ATOM 0 HA ILE A 78 8.435 7.210 8.584 1.00 0.00 H new ATOM 0 HB ILE A 78 10.591 6.818 10.688 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.465 7.766 8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.989 6.105 8.817 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.531 4.458 10.003 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.980 4.984 10.700 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.149 4.805 8.937 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.334 6.547 6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.243 5.352 7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.711 7.039 7.043 1.00 0.00 H new ATOM 1241 N PRO A 79 6.704 6.747 10.469 1.00 0.00 N ATOM 1242 CA PRO A 79 5.723 6.539 11.500 1.00 0.00 C ATOM 1243 C PRO A 79 6.116 5.395 12.417 1.00 0.00 C ATOM 1244 O PRO A 79 6.699 4.406 11.973 1.00 0.00 O ATOM 1245 CB PRO A 79 4.480 6.215 10.658 1.00 0.00 C ATOM 1246 CG PRO A 79 5.014 5.631 9.383 1.00 0.00 C ATOM 1247 CD PRO A 79 6.325 6.340 9.117 1.00 0.00 C ATOM 0 HA PRO A 79 5.588 7.381 12.179 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.828 5.509 11.173 1.00 0.00 H new ATOM 0 HB3 PRO A 79 3.890 7.111 10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.164 4.556 9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.314 5.783 8.561 1.00 0.00 H new ATOM 0 HD2 PRO A 79 7.065 5.681 8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.204 7.193 8.449 1.00 0.00 H new ATOM 1255 N VAL A 80 5.787 5.522 13.696 1.00 0.00 N ATOM 1256 CA VAL A 80 6.098 4.451 14.629 1.00 0.00 C ATOM 1257 C VAL A 80 4.991 3.430 14.500 1.00 0.00 C ATOM 1258 O VAL A 80 3.837 3.736 14.796 1.00 0.00 O ATOM 1259 CB VAL A 80 6.206 4.959 16.076 1.00 0.00 C ATOM 1260 CG1 VAL A 80 6.468 3.785 17.008 1.00 0.00 C ATOM 1261 CG2 VAL A 80 7.330 5.981 16.170 1.00 0.00 C ATOM 0 H VAL A 80 5.318 6.332 14.101 1.00 0.00 H new ATOM 0 HA VAL A 80 7.069 4.017 14.392 1.00 0.00 H new ATOM 0 HB VAL A 80 5.272 5.437 16.373 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.545 4.145 18.034 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.647 3.072 16.934 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.400 3.296 16.724 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.408 6.343 17.195 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.271 5.515 15.877 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.117 6.818 15.505 1.00 0.00 H new ATOM 1271 N HIS A 81 5.346 2.229 14.067 1.00 0.00 N ATOM 1272 CA HIS A 81 4.353 1.191 13.846 1.00 0.00 C ATOM 1273 C HIS A 81 5.015 -0.185 13.725 1.00 0.00 C ATOM 1274 O HIS A 81 6.080 -0.278 13.114 1.00 0.00 O ATOM 1275 CB HIS A 81 3.591 1.496 12.557 1.00 0.00 C ATOM 1276 CG HIS A 81 2.389 0.653 12.296 1.00 0.00 C ATOM 1277 ND1 HIS A 81 2.467 -0.674 11.920 1.00 0.00 N ATOM 1278 CD2 HIS A 81 1.074 0.961 12.339 1.00 0.00 C ATOM 1279 CE1 HIS A 81 1.243 -1.145 11.759 1.00 0.00 C ATOM 1280 NE2 HIS A 81 0.386 -0.171 11.996 1.00 0.00 N ATOM 0 H HIS A 81 6.306 1.952 13.863 1.00 0.00 H new ATOM 0 HA HIS A 81 3.672 1.174 14.697 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.280 2.541 12.580 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.277 1.386 11.717 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.647 1.919 12.596 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.988 -2.157 11.480 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.629 -0.249 11.934 1.00 0.00 H new ATOM 1288 N PRO A 82 4.426 -1.261 14.267 1.00 0.00 N ATOM 1289 CA PRO A 82 4.948 -2.615 14.174 1.00 0.00 C ATOM 1290 C PRO A 82 5.327 -3.126 12.784 1.00 0.00 C ATOM 1291 O PRO A 82 6.240 -3.944 12.670 1.00 0.00 O ATOM 1292 CB PRO A 82 3.766 -3.395 14.764 1.00 0.00 C ATOM 1293 CG PRO A 82 3.155 -2.445 15.757 1.00 0.00 C ATOM 1294 CD PRO A 82 3.277 -1.069 15.167 1.00 0.00 C ATOM 0 HA PRO A 82 5.910 -2.712 14.677 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.051 -3.678 13.992 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.097 -4.315 15.245 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.110 -2.696 15.941 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.670 -2.502 16.716 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.377 -0.767 14.631 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.467 -0.309 15.925 1.00 0.00 H new ATOM 1302 N HIS A 83 4.647 -2.671 11.733 1.00 0.00 N ATOM 1303 CA HIS A 83 4.973 -3.131 10.390 1.00 0.00 C ATOM 1304 C HIS A 83 5.699 -2.089 9.539 1.00 0.00 C ATOM 1305 O HIS A 83 5.764 -2.203 8.313 1.00 0.00 O ATOM 1306 CB HIS A 83 3.699 -3.596 9.699 1.00 0.00 C ATOM 1307 CG HIS A 83 3.122 -4.780 10.407 1.00 0.00 C ATOM 1308 ND1 HIS A 83 3.799 -5.977 10.497 1.00 0.00 N ATOM 1309 CD2 HIS A 83 1.942 -4.969 11.044 1.00 0.00 C ATOM 1310 CE1 HIS A 83 3.065 -6.849 11.161 1.00 0.00 C ATOM 1311 NE2 HIS A 83 1.934 -6.263 11.504 1.00 0.00 N ATOM 0 H HIS A 83 3.882 -1.998 11.785 1.00 0.00 H new ATOM 0 HA HIS A 83 5.674 -3.959 10.496 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.971 -2.785 9.681 1.00 0.00 H new ATOM 0 HB3 HIS A 83 3.914 -3.854 8.662 1.00 0.00 H new ATOM 0 HD2 HIS A 83 1.155 -4.239 11.167 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.343 -7.868 11.385 1.00 0.00 H new ATOM 0 HE2 HIS A 83 1.175 -6.701 12.027 1.00 0.00 H new ATOM 1319 N VAL A 84 6.259 -1.069 10.188 1.00 0.00 N ATOM 1320 CA VAL A 84 7.004 -0.025 9.496 1.00 0.00 C ATOM 1321 C VAL A 84 8.498 0.008 9.781 1.00 0.00 C ATOM 1322 O VAL A 84 8.939 0.034 10.930 1.00 0.00 O ATOM 1323 CB VAL A 84 6.412 1.352 9.826 1.00 0.00 C ATOM 1324 CG1 VAL A 84 7.280 2.426 9.218 1.00 0.00 C ATOM 1325 CG2 VAL A 84 5.023 1.457 9.204 1.00 0.00 C ATOM 0 H VAL A 84 6.209 -0.946 11.199 1.00 0.00 H new ATOM 0 HA VAL A 84 6.901 -0.269 8.439 1.00 0.00 H new ATOM 0 HB VAL A 84 6.359 1.475 10.908 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.863 3.406 9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.288 2.354 9.627 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.318 2.295 8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.594 2.433 9.433 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.099 1.339 8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.382 0.675 9.611 1.00 0.00 H new ATOM 1335 N TYR A 85 9.268 0.001 8.693 1.00 0.00 N ATOM 1336 CA TYR A 85 10.722 0.046 8.737 1.00 0.00 C ATOM 1337 C TYR A 85 11.220 1.453 8.417 1.00 0.00 C ATOM 1338 O TYR A 85 10.563 2.195 7.684 1.00 0.00 O ATOM 1339 CB TYR A 85 11.257 -0.990 7.756 1.00 0.00 C ATOM 1340 CG TYR A 85 10.897 -2.394 8.205 1.00 0.00 C ATOM 1341 CD1 TYR A 85 9.604 -2.844 8.008 1.00 0.00 C ATOM 1342 CD2 TYR A 85 11.825 -3.237 8.798 1.00 0.00 C ATOM 1343 CE1 TYR A 85 9.236 -4.105 8.407 1.00 0.00 C ATOM 1344 CE2 TYR A 85 11.457 -4.509 9.200 1.00 0.00 C ATOM 1345 CZ TYR A 85 10.160 -4.947 9.006 1.00 0.00 C ATOM 1346 OH TYR A 85 9.718 -6.197 9.381 1.00 0.00 O ATOM 0 H TYR A 85 8.891 -0.037 7.746 1.00 0.00 H new ATOM 0 HA TYR A 85 11.086 -0.193 9.736 1.00 0.00 H new ATOM 0 HB2 TYR A 85 10.846 -0.804 6.764 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.340 -0.896 7.675 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.878 -2.198 7.536 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.840 -2.899 8.947 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.222 -4.443 8.253 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.183 -5.160 9.665 1.00 0.00 H new ATOM 0 HH TYR A 85 10.456 -6.696 9.789 1.00 0.00 H new ATOM 1356 N SER A 86 12.406 1.806 8.928 1.00 0.00 N ATOM 1357 CA SER A 86 12.966 3.154 8.773 1.00 0.00 C ATOM 1358 C SER A 86 13.406 3.444 7.347 1.00 0.00 C ATOM 1359 O SER A 86 13.631 4.597 6.977 1.00 0.00 O ATOM 1360 CB SER A 86 14.162 3.352 9.676 1.00 0.00 C ATOM 1361 OG SER A 86 15.254 2.606 9.218 1.00 0.00 O ATOM 0 H SER A 86 13.001 1.169 9.458 1.00 0.00 H new ATOM 0 HA SER A 86 12.163 3.839 9.043 1.00 0.00 H new ATOM 0 HB2 SER A 86 14.426 4.409 9.712 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.910 3.051 10.693 1.00 0.00 H new ATOM 0 HG SER A 86 16.020 2.747 9.813 1.00 0.00 H new ATOM 1367 N ASN A 87 13.534 2.385 6.556 1.00 0.00 N ATOM 1368 CA ASN A 87 13.899 2.470 5.161 1.00 0.00 C ATOM 1369 C ASN A 87 12.677 2.452 4.244 1.00 0.00 C ATOM 1370 O ASN A 87 12.822 2.302 3.031 1.00 0.00 O ATOM 1371 CB ASN A 87 14.850 1.335 4.860 1.00 0.00 C ATOM 1372 CG ASN A 87 16.181 1.557 5.521 1.00 0.00 C ATOM 1373 OD1 ASN A 87 17.042 2.243 4.957 1.00 0.00 O ATOM 1374 ND2 ASN A 87 16.366 1.022 6.702 1.00 0.00 N ATOM 0 H ASN A 87 13.383 1.429 6.879 1.00 0.00 H new ATOM 0 HA ASN A 87 14.390 3.424 4.968 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.421 0.395 5.206 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.986 1.246 3.782 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.248 1.164 7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.628 0.463 7.130 1.00 0.00 H new ATOM 1381 N GLY A 88 11.474 2.593 4.811 1.00 0.00 N ATOM 1382 CA GLY A 88 10.269 2.671 4.002 1.00 0.00 C ATOM 1383 C GLY A 88 9.523 1.361 3.788 1.00 0.00 C ATOM 1384 O GLY A 88 8.488 1.345 3.126 1.00 0.00 O ATOM 0 H GLY A 88 11.317 2.654 5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.587 3.382 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.536 3.078 3.027 1.00 0.00 H new ATOM 1388 N HIS A 89 10.019 0.244 4.297 1.00 0.00 N ATOM 1389 CA HIS A 89 9.299 -0.996 4.044 1.00 0.00 C ATOM 1390 C HIS A 89 7.992 -1.123 4.834 1.00 0.00 C ATOM 1391 O HIS A 89 7.879 -0.726 5.997 1.00 0.00 O ATOM 1392 CB HIS A 89 10.215 -2.203 4.287 1.00 0.00 C ATOM 1393 CG HIS A 89 9.602 -3.491 3.840 1.00 0.00 C ATOM 1394 ND1 HIS A 89 8.774 -4.248 4.639 1.00 0.00 N ATOM 1395 CD2 HIS A 89 9.674 -4.132 2.652 1.00 0.00 C ATOM 1396 CE1 HIS A 89 8.374 -5.311 3.962 1.00 0.00 C ATOM 1397 NE2 HIS A 89 8.900 -5.257 2.754 1.00 0.00 N ATOM 0 H HIS A 89 10.868 0.167 4.857 1.00 0.00 H new ATOM 0 HA HIS A 89 9.004 -0.974 2.995 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.157 -2.051 3.760 1.00 0.00 H new ATOM 0 HB3 HIS A 89 10.451 -2.267 5.349 1.00 0.00 H new ATOM 0 HD2 HIS A 89 10.236 -3.816 1.786 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.727 -6.091 4.335 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.754 -5.943 2.014 1.00 0.00 H new ATOM 1405 N ILE A 90 6.985 -1.655 4.140 1.00 0.00 N ATOM 1406 CA ILE A 90 5.653 -1.945 4.671 1.00 0.00 C ATOM 1407 C ILE A 90 5.446 -3.451 4.728 1.00 0.00 C ATOM 1408 O ILE A 90 5.330 -4.100 3.687 1.00 0.00 O ATOM 1409 CB ILE A 90 4.559 -1.296 3.803 1.00 0.00 C ATOM 1410 CG1 ILE A 90 4.762 0.220 3.819 1.00 0.00 C ATOM 1411 CG2 ILE A 90 3.171 -1.717 4.258 1.00 0.00 C ATOM 1412 CD1 ILE A 90 3.888 0.989 2.861 1.00 0.00 C ATOM 0 H ILE A 90 7.079 -1.905 3.156 1.00 0.00 H new ATOM 0 HA ILE A 90 5.581 -1.527 5.675 1.00 0.00 H new ATOM 0 HB ILE A 90 4.642 -1.641 2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.578 0.586 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.805 0.434 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.421 -1.242 3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.076 -2.800 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.019 -1.411 5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.105 2.054 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.087 0.658 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.840 0.812 3.102 1.00 0.00 H new ATOM 1424 N CYS A 91 5.378 -4.008 5.935 1.00 0.00 N ATOM 1425 CA CYS A 91 5.256 -5.456 6.057 1.00 0.00 C ATOM 1426 C CYS A 91 3.888 -6.029 6.365 1.00 0.00 C ATOM 1427 O CYS A 91 3.495 -6.132 7.523 1.00 0.00 O ATOM 1428 CB CYS A 91 6.192 -5.952 7.153 1.00 0.00 C ATOM 1429 SG CYS A 91 6.160 -7.743 7.397 1.00 0.00 S ATOM 0 H CYS A 91 5.404 -3.496 6.817 1.00 0.00 H new ATOM 0 HA CYS A 91 5.502 -5.802 5.053 1.00 0.00 H new ATOM 0 HB2 CYS A 91 7.210 -5.647 6.912 1.00 0.00 H new ATOM 0 HB3 CYS A 91 5.927 -5.464 8.091 1.00 0.00 H new ATOM 0 HG CYS A 91 6.988 -8.067 8.346 1.00 0.00 H new ATOM 1435 N LEU A 92 3.168 -6.424 5.328 1.00 0.00 N ATOM 1436 CA LEU A 92 1.895 -7.094 5.536 1.00 0.00 C ATOM 1437 C LEU A 92 2.014 -8.434 4.821 1.00 0.00 C ATOM 1438 O LEU A 92 2.543 -8.480 3.710 1.00 0.00 O ATOM 1439 CB LEU A 92 0.744 -6.249 4.994 1.00 0.00 C ATOM 1440 CG LEU A 92 0.573 -4.859 5.611 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -0.497 -4.087 4.847 1.00 0.00 C ATOM 1442 CD2 LEU A 92 0.183 -5.035 7.069 1.00 0.00 C ATOM 0 H LEU A 92 3.436 -6.296 4.352 1.00 0.00 H new ATOM 0 HA LEU A 92 1.676 -7.241 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.883 -6.131 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.184 -6.803 5.137 1.00 0.00 H new ATOM 0 HG LEU A 92 1.501 -4.291 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.617 -3.098 5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.197 -3.985 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.443 -4.626 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.055 -4.057 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.753 -5.591 7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.966 -5.584 7.591 1.00 0.00 H new ATOM 1454 N SER A 93 1.486 -9.518 5.398 1.00 0.00 N ATOM 1455 CA SER A 93 1.660 -10.821 4.750 1.00 0.00 C ATOM 1456 C SER A 93 0.864 -10.891 3.456 1.00 0.00 C ATOM 1457 O SER A 93 1.288 -11.548 2.504 1.00 0.00 O ATOM 1458 CB SER A 93 1.258 -11.938 5.704 1.00 0.00 C ATOM 1459 OG SER A 93 -0.122 -11.999 5.944 1.00 0.00 O ATOM 0 H SER A 93 0.959 -9.525 6.271 1.00 0.00 H new ATOM 0 HA SER A 93 2.713 -10.948 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.590 -12.892 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.778 -11.800 6.652 1.00 0.00 H new ATOM 0 HG SER A 93 -0.505 -12.759 5.458 1.00 0.00 H new ATOM 1465 N ILE A 94 -0.228 -10.124 3.411 1.00 0.00 N ATOM 1466 CA ILE A 94 -1.124 -9.941 2.277 1.00 0.00 C ATOM 1467 C ILE A 94 -0.516 -9.207 1.096 1.00 0.00 C ATOM 1468 O ILE A 94 -1.182 -9.080 0.073 1.00 0.00 O ATOM 1469 CB ILE A 94 -2.388 -9.208 2.734 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -2.012 -7.817 3.229 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -3.064 -10.011 3.833 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -3.194 -6.929 3.514 1.00 0.00 C ATOM 0 H ILE A 94 -0.525 -9.581 4.221 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.352 -10.945 1.919 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.085 -9.103 1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.416 -7.914 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.380 -7.335 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.965 -9.492 4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.331 -10.996 3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.381 -10.121 4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.844 -5.957 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.779 -6.799 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.816 -7.387 4.283 1.00 0.00 H new ATOM 1484 N LEU A 95 0.695 -8.670 1.230 1.00 0.00 N ATOM 1485 CA LEU A 95 1.361 -8.032 0.110 1.00 0.00 C ATOM 1486 C LEU A 95 2.368 -8.984 -0.536 1.00 0.00 C ATOM 1487 O LEU A 95 2.869 -8.700 -1.628 1.00 0.00 O ATOM 1488 CB LEU A 95 2.049 -6.754 0.589 1.00 0.00 C ATOM 1489 CG LEU A 95 1.094 -5.705 1.164 1.00 0.00 C ATOM 1490 CD1 LEU A 95 1.903 -4.528 1.694 1.00 0.00 C ATOM 1491 CD2 LEU A 95 0.120 -5.271 0.086 1.00 0.00 C ATOM 0 H LEU A 95 1.228 -8.667 2.100 1.00 0.00 H new ATOM 0 HA LEU A 95 0.620 -7.774 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.785 -7.014 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.595 -6.314 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 95 0.520 -6.123 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.227 -3.778 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.579 -4.874 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.482 -4.089 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.562 -4.524 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.671 -4.843 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.450 -6.134 -0.258 1.00 0.00 H new ATOM 1503 N THR A 96 2.663 -10.102 0.137 1.00 0.00 N ATOM 1504 CA THR A 96 3.614 -11.081 -0.367 1.00 0.00 C ATOM 1505 C THR A 96 2.912 -12.428 -0.482 1.00 0.00 C ATOM 1506 O THR A 96 2.126 -12.660 -1.400 1.00 0.00 O ATOM 1507 CB THR A 96 4.856 -11.225 0.539 1.00 0.00 C ATOM 1508 OG1 THR A 96 4.439 -11.604 1.858 1.00 0.00 O ATOM 1509 CG2 THR A 96 5.622 -9.913 0.621 1.00 0.00 C ATOM 0 H THR A 96 2.250 -10.346 1.037 1.00 0.00 H new ATOM 0 HA THR A 96 3.966 -10.736 -1.339 1.00 0.00 H new ATOM 0 HB THR A 96 5.508 -11.987 0.113 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.225 -11.698 2.435 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.492 -10.040 1.265 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.948 -9.619 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.975 -9.139 1.034 1.00 0.00 H new ATOM 1517 N GLU A 97 3.186 -13.298 0.491 1.00 0.00 N ATOM 1518 CA GLU A 97 2.670 -14.663 0.565 1.00 0.00 C ATOM 1519 C GLU A 97 1.160 -14.815 0.423 1.00 0.00 C ATOM 1520 O GLU A 97 0.695 -15.740 -0.244 1.00 0.00 O ATOM 1521 CB GLU A 97 3.094 -15.295 1.892 1.00 0.00 C ATOM 1522 CG GLU A 97 2.667 -16.749 2.043 1.00 0.00 C ATOM 1523 CD GLU A 97 3.156 -17.397 3.310 1.00 0.00 C ATOM 1524 OE1 GLU A 97 3.792 -16.746 4.107 1.00 0.00 O ATOM 1525 OE2 GLU A 97 2.910 -18.566 3.492 1.00 0.00 O ATOM 0 H GLU A 97 3.794 -13.062 1.275 1.00 0.00 H new ATOM 0 HA GLU A 97 3.101 -15.167 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.178 -15.233 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.671 -14.715 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.579 -16.803 2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.037 -17.317 1.189 1.00 0.00 H new ATOM 1532 N ASP A 98 0.394 -13.925 1.044 1.00 0.00 N ATOM 1533 CA ASP A 98 -1.055 -14.006 0.992 1.00 0.00 C ATOM 1534 C ASP A 98 -1.668 -13.096 -0.070 1.00 0.00 C ATOM 1535 O ASP A 98 -2.893 -12.979 -0.131 1.00 0.00 O ATOM 1536 CB ASP A 98 -1.640 -13.645 2.360 1.00 0.00 C ATOM 1537 CG ASP A 98 -1.318 -14.614 3.476 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -1.330 -15.802 3.255 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -1.045 -14.134 4.553 1.00 0.00 O ATOM 0 H ASP A 98 0.755 -13.141 1.588 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.303 -15.032 0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.277 -12.657 2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.723 -13.572 2.266 1.00 0.00 H new ATOM 1544 N TRP A 99 -0.853 -12.441 -0.902 1.00 0.00 N ATOM 1545 CA TRP A 99 -1.439 -11.554 -1.895 1.00 0.00 C ATOM 1546 C TRP A 99 -2.119 -12.356 -2.987 1.00 0.00 C ATOM 1547 O TRP A 99 -1.517 -13.239 -3.599 1.00 0.00 O ATOM 1548 CB TRP A 99 -0.376 -10.649 -2.514 1.00 0.00 C ATOM 1549 CG TRP A 99 -0.912 -9.589 -3.432 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -1.409 -8.375 -3.063 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -0.992 -9.625 -4.875 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -1.793 -7.663 -4.168 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -1.545 -8.407 -5.285 1.00 0.00 C ATOM 1554 CE3 TRP A 99 -0.639 -10.576 -5.837 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -1.755 -8.103 -6.617 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -0.846 -10.266 -7.168 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -1.389 -9.065 -7.548 1.00 0.00 C ATOM 0 H TRP A 99 0.165 -12.505 -0.908 1.00 0.00 H new ATOM 0 HA TRP A 99 -2.179 -10.932 -1.391 1.00 0.00 H new ATOM 0 HB2 TRP A 99 0.183 -10.167 -1.712 1.00 0.00 H new ATOM 0 HB3 TRP A 99 0.330 -11.267 -3.068 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -1.489 -8.024 -2.045 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.199 -6.727 -4.158 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -0.216 -11.527 -5.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -2.185 -7.159 -6.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -0.574 -10.986 -7.926 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -1.535 -8.863 -8.599 1.00 0.00 H new ATOM 1568 N SER A 100 -3.378 -12.033 -3.230 1.00 0.00 N ATOM 1569 CA SER A 100 -4.162 -12.670 -4.270 1.00 0.00 C ATOM 1570 C SER A 100 -4.103 -11.868 -5.560 1.00 0.00 C ATOM 1571 O SER A 100 -4.150 -10.641 -5.504 1.00 0.00 O ATOM 1572 CB SER A 100 -5.607 -12.823 -3.826 1.00 0.00 C ATOM 1573 OG SER A 100 -6.425 -13.281 -4.871 1.00 0.00 O ATOM 0 H SER A 100 -3.886 -11.318 -2.708 1.00 0.00 H new ATOM 0 HA SER A 100 -3.739 -13.657 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.659 -13.521 -2.990 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.980 -11.865 -3.465 1.00 0.00 H new ATOM 0 HG SER A 100 -7.347 -13.370 -4.550 1.00 0.00 H new ATOM 1579 N PRO A 101 -4.049 -12.516 -6.733 1.00 0.00 N ATOM 1580 CA PRO A 101 -4.034 -11.877 -8.034 1.00 0.00 C ATOM 1581 C PRO A 101 -5.346 -11.171 -8.356 1.00 0.00 C ATOM 1582 O PRO A 101 -5.420 -10.382 -9.299 1.00 0.00 O ATOM 1583 CB PRO A 101 -3.766 -13.075 -8.953 1.00 0.00 C ATOM 1584 CG PRO A 101 -4.253 -14.272 -8.189 1.00 0.00 C ATOM 1585 CD PRO A 101 -3.941 -13.980 -6.739 1.00 0.00 C ATOM 0 HA PRO A 101 -3.300 -11.077 -8.126 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.294 -12.971 -9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -2.705 -13.162 -9.188 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.322 -14.424 -8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.752 -15.181 -8.523 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -4.651 -14.451 -6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.948 -14.324 -6.451 1.00 0.00 H new ATOM 1593 N ALA A 102 -6.387 -11.465 -7.575 1.00 0.00 N ATOM 1594 CA ALA A 102 -7.677 -10.818 -7.691 1.00 0.00 C ATOM 1595 C ALA A 102 -7.661 -9.442 -7.020 1.00 0.00 C ATOM 1596 O ALA A 102 -8.602 -8.668 -7.195 1.00 0.00 O ATOM 1597 CB ALA A 102 -8.753 -11.690 -7.070 1.00 0.00 C ATOM 0 H ALA A 102 -6.348 -12.169 -6.838 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.897 -10.678 -8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.720 -11.195 -7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.786 -12.650 -7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.527 -11.852 -6.016 1.00 0.00 H new ATOM 1603 N LEU A 103 -6.615 -9.127 -6.247 1.00 0.00 N ATOM 1604 CA LEU A 103 -6.546 -7.838 -5.581 1.00 0.00 C ATOM 1605 C LEU A 103 -6.059 -6.753 -6.517 1.00 0.00 C ATOM 1606 O LEU A 103 -5.210 -6.975 -7.382 1.00 0.00 O ATOM 1607 CB LEU A 103 -5.611 -7.908 -4.372 1.00 0.00 C ATOM 1608 CG LEU A 103 -6.054 -8.872 -3.274 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -4.993 -8.918 -2.186 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -7.394 -8.415 -2.721 1.00 0.00 C ATOM 0 H LEU A 103 -5.820 -9.742 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.556 -7.591 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.619 -8.201 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.518 -6.910 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.173 -9.878 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.307 -9.606 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.050 -9.260 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.861 -7.922 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.716 -9.099 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.294 -7.411 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.134 -8.406 -3.521 1.00 0.00 H new ATOM 1622 N SER A 104 -6.622 -5.569 -6.318 1.00 0.00 N ATOM 1623 CA SER A 104 -6.307 -4.386 -7.102 1.00 0.00 C ATOM 1624 C SER A 104 -5.219 -3.548 -6.449 1.00 0.00 C ATOM 1625 O SER A 104 -4.835 -3.807 -5.308 1.00 0.00 O ATOM 1626 CB SER A 104 -7.577 -3.580 -7.294 1.00 0.00 C ATOM 1627 OG SER A 104 -8.062 -3.067 -6.081 1.00 0.00 O ATOM 0 H SER A 104 -7.322 -5.402 -5.595 1.00 0.00 H new ATOM 0 HA SER A 104 -5.917 -4.696 -8.072 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.384 -2.758 -7.984 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.340 -4.209 -7.753 1.00 0.00 H new ATOM 0 HG SER A 104 -9.010 -2.838 -6.178 1.00 0.00 H new ATOM 1633 N VAL A 105 -4.717 -2.550 -7.171 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.718 -1.649 -6.611 1.00 0.00 C ATOM 1635 C VAL A 105 -4.429 -0.862 -5.531 1.00 0.00 C ATOM 1636 O VAL A 105 -3.845 -0.581 -4.490 1.00 0.00 O ATOM 1637 CB VAL A 105 -3.101 -0.706 -7.648 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -2.194 0.293 -6.932 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -2.359 -1.545 -8.668 1.00 0.00 C ATOM 0 H VAL A 105 -4.983 -2.347 -8.135 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.879 -2.226 -6.223 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.861 -0.130 -8.176 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.750 0.969 -7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.780 0.868 -6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.404 -0.244 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.910 -0.894 -9.418 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.576 -2.116 -8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.056 -2.230 -9.152 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.677 -0.499 -5.818 1.00 0.00 N ATOM 1650 CA GLN A 106 -6.587 0.170 -4.902 1.00 0.00 C ATOM 1651 C GLN A 106 -6.672 -0.613 -3.595 1.00 0.00 C ATOM 1652 O GLN A 106 -6.586 -0.016 -2.521 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.964 0.286 -5.554 1.00 0.00 C ATOM 1654 CG GLN A 106 -9.046 0.979 -4.754 1.00 0.00 C ATOM 1655 CD GLN A 106 -10.373 0.983 -5.483 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -10.720 0.005 -6.150 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -11.119 2.075 -5.366 1.00 0.00 N ATOM 0 H GLN A 106 -6.095 -0.671 -6.732 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.218 1.171 -4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.848 0.817 -6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.311 -0.719 -5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.162 0.480 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.743 2.005 -4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.790 2.859 -4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.021 2.130 -5.839 1.00 0.00 H new ATOM 1666 N SER A 107 -6.867 -1.936 -3.708 1.00 0.00 N ATOM 1667 CA SER A 107 -6.927 -2.853 -2.570 1.00 0.00 C ATOM 1668 C SER A 107 -5.653 -2.737 -1.733 1.00 0.00 C ATOM 1669 O SER A 107 -5.730 -2.706 -0.502 1.00 0.00 O ATOM 1670 CB SER A 107 -7.043 -4.304 -3.027 1.00 0.00 C ATOM 1671 OG SER A 107 -8.212 -4.560 -3.759 1.00 0.00 O ATOM 0 H SER A 107 -6.989 -2.401 -4.608 1.00 0.00 H new ATOM 0 HA SER A 107 -7.806 -2.580 -1.986 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.176 -4.556 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.018 -4.956 -2.154 1.00 0.00 H new ATOM 0 HG SER A 107 -8.241 -3.974 -4.544 1.00 0.00 H new ATOM 1677 N VAL A 108 -4.498 -2.696 -2.411 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.196 -2.543 -1.762 1.00 0.00 C ATOM 1679 C VAL A 108 -3.068 -1.214 -1.039 1.00 0.00 C ATOM 1680 O VAL A 108 -2.594 -1.189 0.097 1.00 0.00 O ATOM 1681 CB VAL A 108 -2.040 -2.669 -2.776 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -0.734 -2.290 -2.102 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -1.975 -4.095 -3.295 1.00 0.00 C ATOM 0 H VAL A 108 -4.444 -2.768 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.130 -3.349 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.210 -1.997 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.084 -2.379 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.794 -1.262 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.553 -2.957 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.158 -4.185 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.804 -4.778 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.916 -4.348 -3.784 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.491 -0.130 -1.683 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.440 1.192 -1.078 1.00 0.00 C ATOM 1695 C CYS A 109 -4.265 1.233 0.197 1.00 0.00 C ATOM 1696 O CYS A 109 -3.794 1.748 1.211 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.953 2.243 -2.062 1.00 0.00 C ATOM 1698 SG CYS A 109 -2.836 2.583 -3.447 1.00 0.00 S ATOM 0 H CYS A 109 -3.874 -0.144 -2.628 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.402 1.412 -0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -4.913 1.913 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.134 3.172 -1.521 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.633 2.199 -3.139 1.00 0.00 H new ATOM 1704 N LEU A 110 -5.474 0.679 0.146 1.00 0.00 N ATOM 1705 CA LEU A 110 -6.341 0.625 1.310 1.00 0.00 C ATOM 1706 C LEU A 110 -5.825 -0.320 2.379 1.00 0.00 C ATOM 1707 O LEU A 110 -6.107 -0.093 3.554 1.00 0.00 O ATOM 1708 CB LEU A 110 -7.749 0.224 0.878 1.00 0.00 C ATOM 1709 CG LEU A 110 -8.431 1.319 0.063 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -9.761 0.830 -0.494 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -8.625 2.523 0.979 1.00 0.00 C ATOM 0 H LEU A 110 -5.873 0.261 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.358 1.620 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.700 -0.691 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.349 0.002 1.760 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.815 1.596 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.229 1.627 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.591 -0.032 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.417 0.545 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.112 3.326 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.247 2.238 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.655 2.866 1.339 1.00 0.00 H new ATOM 1723 N SER A 111 -5.121 -1.384 1.987 1.00 0.00 N ATOM 1724 CA SER A 111 -4.512 -2.304 2.938 1.00 0.00 C ATOM 1725 C SER A 111 -3.452 -1.589 3.769 1.00 0.00 C ATOM 1726 O SER A 111 -3.350 -1.821 4.973 1.00 0.00 O ATOM 1727 CB SER A 111 -3.889 -3.477 2.206 1.00 0.00 C ATOM 1728 OG SER A 111 -4.866 -4.251 1.564 1.00 0.00 O ATOM 0 H SER A 111 -4.960 -1.627 1.010 1.00 0.00 H new ATOM 0 HA SER A 111 -5.290 -2.674 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.171 -3.111 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.336 -4.097 2.911 1.00 0.00 H new ATOM 0 HG SER A 111 -5.328 -3.705 0.895 1.00 0.00 H new ATOM 1734 N ILE A 112 -2.668 -0.737 3.112 1.00 0.00 N ATOM 1735 CA ILE A 112 -1.631 0.072 3.744 1.00 0.00 C ATOM 1736 C ILE A 112 -2.249 1.084 4.703 1.00 0.00 C ATOM 1737 O ILE A 112 -1.760 1.288 5.816 1.00 0.00 O ATOM 1738 CB ILE A 112 -0.823 0.803 2.677 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -0.045 -0.214 1.847 1.00 0.00 C ATOM 1740 CG2 ILE A 112 0.112 1.776 3.370 1.00 0.00 C ATOM 1741 CD1 ILE A 112 0.513 0.392 0.589 1.00 0.00 C ATOM 0 H ILE A 112 -2.738 -0.588 2.105 1.00 0.00 H new ATOM 0 HA ILE A 112 -0.973 -0.588 4.309 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.478 1.357 2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.770 -0.622 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.699 -1.047 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.700 2.310 2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.472 2.490 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.780 1.228 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 112 1.059 -0.368 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.303 0.776 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.188 1.208 0.847 1.00 0.00 H new ATOM 1753 N ILE A 113 -3.305 1.743 4.233 1.00 0.00 N ATOM 1754 CA ILE A 113 -4.059 2.695 5.032 1.00 0.00 C ATOM 1755 C ILE A 113 -4.649 2.000 6.257 1.00 0.00 C ATOM 1756 O ILE A 113 -4.605 2.564 7.353 1.00 0.00 O ATOM 1757 CB ILE A 113 -5.152 3.350 4.165 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -4.468 4.242 3.120 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -6.119 4.143 5.030 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -5.362 4.727 2.003 1.00 0.00 C ATOM 0 H ILE A 113 -3.660 1.629 3.284 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.396 3.483 5.388 1.00 0.00 H new ATOM 0 HB ILE A 113 -5.738 2.585 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -4.045 5.109 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -3.636 3.690 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.883 4.597 4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.593 3.477 5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.575 4.924 5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.785 5.349 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -5.766 3.871 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.181 5.312 2.421 1.00 0.00 H new ATOM 1772 N SER A 114 -5.214 0.806 6.052 1.00 0.00 N ATOM 1773 CA SER A 114 -5.785 -0.033 7.096 1.00 0.00 C ATOM 1774 C SER A 114 -4.726 -0.428 8.116 1.00 0.00 C ATOM 1775 O SER A 114 -5.026 -0.476 9.308 1.00 0.00 O ATOM 1776 CB SER A 114 -6.402 -1.287 6.502 1.00 0.00 C ATOM 1777 OG SER A 114 -7.497 -0.980 5.683 1.00 0.00 O ATOM 0 H SER A 114 -5.286 0.389 5.124 1.00 0.00 H new ATOM 0 HA SER A 114 -6.561 0.547 7.595 1.00 0.00 H new ATOM 0 HB2 SER A 114 -5.651 -1.824 5.922 1.00 0.00 H new ATOM 0 HB3 SER A 114 -6.721 -1.952 7.304 1.00 0.00 H new ATOM 0 HG SER A 114 -7.176 -0.627 4.827 1.00 0.00 H new ATOM 1783 N MET A 115 -3.516 -0.741 7.649 1.00 0.00 N ATOM 1784 CA MET A 115 -2.387 -1.044 8.518 1.00 0.00 C ATOM 1785 C MET A 115 -2.119 0.076 9.501 1.00 0.00 C ATOM 1786 O MET A 115 -2.012 -0.163 10.705 1.00 0.00 O ATOM 1787 CB MET A 115 -1.122 -1.274 7.706 1.00 0.00 C ATOM 1788 CG MET A 115 0.104 -1.507 8.560 1.00 0.00 C ATOM 1789 SD MET A 115 1.623 -1.535 7.604 1.00 0.00 S ATOM 1790 CE MET A 115 1.720 0.213 7.226 1.00 0.00 C ATOM 0 H MET A 115 -3.295 -0.791 6.654 1.00 0.00 H new ATOM 0 HA MET A 115 -2.653 -1.949 9.065 1.00 0.00 H new ATOM 0 HB2 MET A 115 -1.270 -2.134 7.053 1.00 0.00 H new ATOM 0 HB3 MET A 115 -0.950 -0.411 7.063 1.00 0.00 H new ATOM 0 HG2 MET A 115 0.170 -0.723 9.315 1.00 0.00 H new ATOM 0 HG3 MET A 115 -0.003 -2.453 9.091 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.760 0.491 7.057 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.137 0.424 6.329 1.00 0.00 H new ATOM 0 HE3 MET A 115 1.322 0.789 8.062 1.00 0.00 H new ATOM 1800 N LEU A 116 -1.986 1.296 8.989 1.00 0.00 N ATOM 1801 CA LEU A 116 -1.769 2.424 9.881 1.00 0.00 C ATOM 1802 C LEU A 116 -3.006 2.707 10.737 1.00 0.00 C ATOM 1803 O LEU A 116 -2.881 3.124 11.888 1.00 0.00 O ATOM 1804 CB LEU A 116 -1.383 3.672 9.079 1.00 0.00 C ATOM 1805 CG LEU A 116 -0.003 3.653 8.405 1.00 0.00 C ATOM 1806 CD1 LEU A 116 0.149 4.904 7.558 1.00 0.00 C ATOM 1807 CD2 LEU A 116 1.090 3.590 9.463 1.00 0.00 C ATOM 0 H LEU A 116 -2.023 1.523 7.995 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.950 2.165 10.551 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.137 3.829 8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.425 4.533 9.746 1.00 0.00 H new ATOM 0 HG LEU A 116 0.086 2.773 7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.126 4.900 7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.632 4.926 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.062 5.786 8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.066 3.577 8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.019 4.463 10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.969 2.685 10.058 1.00 0.00 H new ATOM 1819 N SER A 117 -4.202 2.483 10.192 1.00 0.00 N ATOM 1820 CA SER A 117 -5.437 2.696 10.934 1.00 0.00 C ATOM 1821 C SER A 117 -5.567 1.769 12.142 1.00 0.00 C ATOM 1822 O SER A 117 -6.049 2.192 13.194 1.00 0.00 O ATOM 1823 CB SER A 117 -6.631 2.497 10.020 1.00 0.00 C ATOM 1824 OG SER A 117 -6.660 3.461 9.003 1.00 0.00 O ATOM 0 H SER A 117 -4.338 2.153 9.236 1.00 0.00 H new ATOM 0 HA SER A 117 -5.409 3.720 11.307 1.00 0.00 H new ATOM 0 HB2 SER A 117 -6.592 1.501 9.579 1.00 0.00 H new ATOM 0 HB3 SER A 117 -7.551 2.552 10.602 1.00 0.00 H new ATOM 0 HG SER A 117 -5.967 3.258 8.340 1.00 0.00 H new ATOM 1830 N SER A 118 -5.152 0.511 11.994 1.00 0.00 N ATOM 1831 CA SER A 118 -5.209 -0.450 13.090 1.00 0.00 C ATOM 1832 C SER A 118 -3.827 -0.961 13.476 1.00 0.00 C ATOM 1833 O SER A 118 -3.335 -1.955 12.938 1.00 0.00 O ATOM 1834 CB SER A 118 -6.087 -1.622 12.703 1.00 0.00 C ATOM 1835 OG SER A 118 -6.126 -2.583 13.725 1.00 0.00 O ATOM 0 H SER A 118 -4.773 0.136 11.125 1.00 0.00 H new ATOM 0 HA SER A 118 -5.629 0.066 13.953 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.097 -1.270 12.492 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.710 -2.076 11.787 1.00 0.00 H new ATOM 0 HG SER A 118 -6.700 -3.328 13.451 1.00 0.00 H new