USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 646 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 39 GLN : amide:sc= -0.15 K(o=0.94,f=-0.18) USER MOD Set 1.2: A 43 THR OG1 : rot 104:sc= 1.09 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 160:sc= -0.0457 (180deg=-0.366) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 72:sc= 1.22 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.101 USER MOD Single : A 85 GLN : amide:sc=-0.00362 X(o=-0.0036,f=-0.32) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -10.088 -9.832 -17.285 1.00 0.00 N ATOM 2 CA MET A 15 -8.615 -10.026 -17.423 1.00 0.00 C ATOM 3 C MET A 15 -8.210 -11.460 -17.073 1.00 0.00 C ATOM 4 O MET A 15 -9.056 -12.280 -16.715 1.00 0.00 O ATOM 5 CB MET A 15 -7.900 -9.027 -16.501 1.00 0.00 C ATOM 6 CG MET A 15 -7.141 -7.941 -17.248 1.00 0.00 C ATOM 7 SD MET A 15 -6.161 -8.590 -18.616 1.00 0.00 S ATOM 8 CE MET A 15 -5.078 -7.201 -18.949 1.00 0.00 C ATOM 0 HA MET A 15 -8.326 -9.850 -18.459 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.636 -8.559 -15.847 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.204 -9.570 -15.862 1.00 0.00 H new ATOM 0 HG2 MET A 15 -7.849 -7.206 -17.631 1.00 0.00 H new ATOM 0 HG3 MET A 15 -6.485 -7.418 -16.552 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.410 -7.450 -19.773 1.00 0.00 H new ATOM 0 HE2 MET A 15 -5.676 -6.330 -19.217 1.00 0.00 H new ATOM 0 HE3 MET A 15 -4.489 -6.977 -18.060 1.00 0.00 H new ATOM 18 N MET A 16 -6.912 -11.753 -17.177 1.00 0.00 N ATOM 19 CA MET A 16 -6.396 -13.088 -16.867 1.00 0.00 C ATOM 20 C MET A 16 -6.335 -13.320 -15.353 1.00 0.00 C ATOM 21 O MET A 16 -6.435 -12.376 -14.566 1.00 0.00 O ATOM 22 CB MET A 16 -5.005 -13.272 -17.485 1.00 0.00 C ATOM 23 CG MET A 16 -5.023 -13.410 -19.000 1.00 0.00 C ATOM 24 SD MET A 16 -5.216 -15.120 -19.538 1.00 0.00 S ATOM 25 CE MET A 16 -4.457 -15.054 -21.158 1.00 0.00 C ATOM 0 H MET A 16 -6.200 -11.085 -17.473 1.00 0.00 H new ATOM 0 HA MET A 16 -7.078 -13.823 -17.295 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.381 -12.420 -17.214 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.540 -14.158 -17.054 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.838 -12.811 -19.406 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.097 -13.007 -19.409 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.499 -16.040 -21.620 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.992 -14.338 -21.782 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.417 -14.743 -21.060 1.00 0.00 H new ATOM 35 N LYS A 17 -6.172 -14.580 -14.953 1.00 0.00 N ATOM 36 CA LYS A 17 -6.098 -14.930 -13.534 1.00 0.00 C ATOM 37 C LYS A 17 -4.652 -14.905 -13.030 1.00 0.00 C ATOM 38 O LYS A 17 -3.750 -15.450 -13.670 1.00 0.00 O ATOM 39 CB LYS A 17 -6.725 -16.308 -13.284 1.00 0.00 C ATOM 40 CG LYS A 17 -5.981 -17.458 -13.949 1.00 0.00 C ATOM 41 CD LYS A 17 -6.896 -18.252 -14.869 1.00 0.00 C ATOM 42 CE LYS A 17 -6.240 -19.543 -15.333 1.00 0.00 C ATOM 43 NZ LYS A 17 -6.799 -20.731 -14.624 1.00 0.00 N ATOM 0 H LYS A 17 -6.089 -15.374 -15.588 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.663 -14.182 -12.978 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.765 -16.488 -12.210 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.754 -16.298 -13.644 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.139 -17.067 -14.520 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.569 -18.117 -13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.826 -18.482 -14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.158 -17.645 -15.735 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.384 -19.659 -16.407 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.165 -19.488 -15.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.328 -21.593 -14.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.639 -20.632 -13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.820 -20.798 -14.810 1.00 0.00 H new ATOM 57 N LEU A 18 -4.443 -14.266 -11.879 1.00 0.00 N ATOM 58 CA LEU A 18 -3.110 -14.163 -11.280 1.00 0.00 C ATOM 59 C LEU A 18 -2.991 -15.032 -10.024 1.00 0.00 C ATOM 60 O LEU A 18 -2.077 -15.848 -9.913 1.00 0.00 O ATOM 61 CB LEU A 18 -2.792 -12.702 -10.942 1.00 0.00 C ATOM 62 CG LEU A 18 -1.758 -12.041 -11.856 1.00 0.00 C ATOM 63 CD1 LEU A 18 -2.083 -10.571 -12.056 1.00 0.00 C ATOM 64 CD2 LEU A 18 -0.360 -12.200 -11.282 1.00 0.00 C ATOM 0 H LEU A 18 -5.180 -13.811 -11.341 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.388 -14.528 -12.010 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.716 -12.125 -10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.432 -12.652 -9.914 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.793 -12.537 -12.826 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.336 -10.119 -12.709 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.069 -10.475 -12.511 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.078 -10.063 -11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.362 -11.724 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.315 -11.731 -10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.123 -13.260 -11.189 1.00 0.00 H new ATOM 76 N GLY A 19 -3.920 -14.854 -9.083 1.00 0.00 N ATOM 77 CA GLY A 19 -3.894 -15.636 -7.853 1.00 0.00 C ATOM 78 C GLY A 19 -4.301 -17.082 -8.071 1.00 0.00 C ATOM 79 O GLY A 19 -5.482 -17.377 -8.247 1.00 0.00 O ATOM 0 H GLY A 19 -4.687 -14.185 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.891 -15.605 -7.428 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.563 -15.180 -7.123 1.00 0.00 H new ATOM 83 N LEU A 20 -3.310 -17.976 -8.068 1.00 0.00 N ATOM 84 CA LEU A 20 -3.534 -19.412 -8.278 1.00 0.00 C ATOM 85 C LEU A 20 -4.775 -19.930 -7.538 1.00 0.00 C ATOM 86 O LEU A 20 -5.676 -20.507 -8.150 1.00 0.00 O ATOM 87 CB LEU A 20 -2.296 -20.199 -7.838 1.00 0.00 C ATOM 88 CG LEU A 20 -2.341 -21.702 -8.122 1.00 0.00 C ATOM 89 CD1 LEU A 20 -0.983 -22.193 -8.597 1.00 0.00 C ATOM 90 CD2 LEU A 20 -2.777 -22.468 -6.884 1.00 0.00 C ATOM 0 H LEU A 20 -2.332 -17.728 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.712 -19.560 -9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.422 -19.778 -8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.154 -20.052 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.071 -21.880 -8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.032 -23.264 -8.795 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.705 -21.668 -9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.236 -22.000 -7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.803 -23.535 -7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.071 -22.283 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.770 -22.136 -6.582 1.00 0.00 H new ATOM 102 N VAL A 21 -4.813 -19.731 -6.221 1.00 0.00 N ATOM 103 CA VAL A 21 -5.941 -20.191 -5.411 1.00 0.00 C ATOM 104 C VAL A 21 -6.954 -19.067 -5.161 1.00 0.00 C ATOM 105 O VAL A 21 -6.699 -18.147 -4.381 1.00 0.00 O ATOM 106 CB VAL A 21 -5.463 -20.780 -4.060 1.00 0.00 C ATOM 107 CG1 VAL A 21 -4.687 -19.752 -3.249 1.00 0.00 C ATOM 108 CG2 VAL A 21 -6.644 -21.312 -3.259 1.00 0.00 C ATOM 0 H VAL A 21 -4.080 -19.257 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.436 -20.979 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.789 -21.608 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.366 -20.198 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.813 -19.428 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.326 -18.893 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.288 -21.721 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.345 -20.501 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.146 -22.095 -3.827 1.00 0.00 H new ATOM 118 N ARG A 22 -8.104 -19.153 -5.834 1.00 0.00 N ATOM 119 CA ARG A 22 -9.170 -18.153 -5.694 1.00 0.00 C ATOM 120 C ARG A 22 -8.644 -16.717 -5.836 1.00 0.00 C ATOM 121 O ARG A 22 -9.064 -15.818 -5.104 1.00 0.00 O ATOM 122 CB ARG A 22 -9.867 -18.326 -4.340 1.00 0.00 C ATOM 123 CG ARG A 22 -11.308 -17.836 -4.326 1.00 0.00 C ATOM 124 CD ARG A 22 -12.118 -18.535 -3.246 1.00 0.00 C ATOM 125 NE ARG A 22 -12.771 -19.746 -3.755 1.00 0.00 N ATOM 126 CZ ARG A 22 -12.905 -20.878 -3.070 1.00 0.00 C ATOM 127 NH1 ARG A 22 -12.453 -20.977 -1.833 1.00 0.00 N ATOM 128 NH2 ARG A 22 -13.500 -21.913 -3.628 1.00 0.00 N ATOM 0 H ARG A 22 -8.323 -19.908 -6.484 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.883 -18.317 -6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.848 -19.380 -4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.302 -17.787 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.327 -16.759 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.765 -18.015 -5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.465 -18.796 -2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.872 -17.851 -2.857 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.149 -19.718 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.995 -20.179 -1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.562 -21.851 -1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.856 -21.844 -4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.605 -22.783 -3.106 1.00 0.00 H new ATOM 142 N PHE A 23 -7.730 -16.504 -6.787 1.00 0.00 N ATOM 143 CA PHE A 23 -7.154 -15.178 -7.031 1.00 0.00 C ATOM 144 C PHE A 23 -6.435 -14.630 -5.790 1.00 0.00 C ATOM 145 O PHE A 23 -6.460 -13.424 -5.534 1.00 0.00 O ATOM 146 CB PHE A 23 -8.247 -14.200 -7.482 1.00 0.00 C ATOM 147 CG PHE A 23 -8.890 -14.574 -8.787 1.00 0.00 C ATOM 148 CD1 PHE A 23 -8.324 -14.187 -9.989 1.00 0.00 C ATOM 149 CD2 PHE A 23 -10.062 -15.311 -8.807 1.00 0.00 C ATOM 150 CE1 PHE A 23 -8.916 -14.530 -11.191 1.00 0.00 C ATOM 151 CE2 PHE A 23 -10.658 -15.657 -10.005 1.00 0.00 C ATOM 152 CZ PHE A 23 -10.084 -15.267 -11.198 1.00 0.00 C ATOM 0 H PHE A 23 -7.372 -17.235 -7.402 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.413 -15.283 -7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.015 -14.146 -6.711 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.816 -13.203 -7.572 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.410 -13.611 -9.989 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.515 -15.619 -7.876 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.465 -14.222 -12.123 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.572 -16.232 -10.008 1.00 0.00 H new ATOM 0 HZ PHE A 23 -10.547 -15.538 -12.135 1.00 0.00 H new ATOM 162 N SER A 24 -5.789 -15.520 -5.026 1.00 0.00 N ATOM 163 CA SER A 24 -5.060 -15.125 -3.812 1.00 0.00 C ATOM 164 C SER A 24 -4.168 -13.902 -4.060 1.00 0.00 C ATOM 165 O SER A 24 -4.395 -12.839 -3.483 1.00 0.00 O ATOM 166 CB SER A 24 -4.220 -16.294 -3.288 1.00 0.00 C ATOM 167 OG SER A 24 -3.422 -15.896 -2.184 1.00 0.00 O ATOM 0 H SER A 24 -5.756 -16.520 -5.227 1.00 0.00 H new ATOM 0 HA SER A 24 -5.799 -14.852 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.876 -17.112 -2.990 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.580 -16.672 -4.085 1.00 0.00 H new ATOM 0 HG SER A 24 -2.897 -16.661 -1.867 1.00 0.00 H new ATOM 173 N MET A 25 -3.163 -14.053 -4.923 1.00 0.00 N ATOM 174 CA MET A 25 -2.256 -12.948 -5.240 1.00 0.00 C ATOM 175 C MET A 25 -3.023 -11.767 -5.833 1.00 0.00 C ATOM 176 O MET A 25 -2.897 -10.635 -5.364 1.00 0.00 O ATOM 177 CB MET A 25 -1.167 -13.404 -6.215 1.00 0.00 C ATOM 178 CG MET A 25 0.021 -12.455 -6.288 1.00 0.00 C ATOM 179 SD MET A 25 0.514 -12.090 -7.982 1.00 0.00 S ATOM 180 CE MET A 25 1.761 -13.349 -8.248 1.00 0.00 C ATOM 0 H MET A 25 -2.957 -14.924 -5.413 1.00 0.00 H new ATOM 0 HA MET A 25 -1.785 -12.627 -4.311 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.815 -14.392 -5.917 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.601 -13.507 -7.210 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.230 -11.525 -5.778 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.865 -12.893 -5.755 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.164 -13.255 -9.256 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.565 -13.224 -7.523 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.314 -14.336 -8.127 1.00 0.00 H new ATOM 190 N LEU A 26 -3.832 -12.050 -6.861 1.00 0.00 N ATOM 191 CA LEU A 26 -4.639 -11.022 -7.520 1.00 0.00 C ATOM 192 C LEU A 26 -5.405 -10.185 -6.496 1.00 0.00 C ATOM 193 O LEU A 26 -5.498 -8.965 -6.634 1.00 0.00 O ATOM 194 CB LEU A 26 -5.612 -11.670 -8.513 1.00 0.00 C ATOM 195 CG LEU A 26 -6.606 -10.708 -9.172 1.00 0.00 C ATOM 196 CD1 LEU A 26 -6.801 -11.059 -10.638 1.00 0.00 C ATOM 197 CD2 LEU A 26 -7.935 -10.731 -8.437 1.00 0.00 C ATOM 0 H LEU A 26 -3.944 -12.985 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.967 -10.358 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.034 -12.162 -9.295 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.173 -12.447 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.197 -9.699 -9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.510 -10.364 -11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.846 -10.990 -11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.187 -12.075 -10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.629 -10.042 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.348 -11.739 -8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.783 -10.428 -7.401 1.00 0.00 H new ATOM 209 N LEU A 27 -5.942 -10.847 -5.464 1.00 0.00 N ATOM 210 CA LEU A 27 -6.691 -10.164 -4.405 1.00 0.00 C ATOM 211 C LEU A 27 -5.970 -8.891 -3.945 1.00 0.00 C ATOM 212 O LEU A 27 -6.615 -7.887 -3.629 1.00 0.00 O ATOM 213 CB LEU A 27 -6.907 -11.106 -3.215 1.00 0.00 C ATOM 214 CG LEU A 27 -8.368 -11.438 -2.905 1.00 0.00 C ATOM 215 CD1 LEU A 27 -8.492 -12.859 -2.382 1.00 0.00 C ATOM 216 CD2 LEU A 27 -8.938 -10.451 -1.898 1.00 0.00 C ATOM 0 H LEU A 27 -5.871 -11.857 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.660 -9.875 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.372 -12.036 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.457 -10.656 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.941 -11.358 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.538 -13.078 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.123 -13.557 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.904 -12.964 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.978 -10.703 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.361 -10.499 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.884 -9.442 -2.307 1.00 0.00 H new ATOM 228 N ALA A 28 -4.631 -8.931 -3.924 1.00 0.00 N ATOM 229 CA ALA A 28 -3.829 -7.774 -3.518 1.00 0.00 C ATOM 230 C ALA A 28 -4.269 -6.501 -4.256 1.00 0.00 C ATOM 231 O ALA A 28 -4.310 -5.415 -3.667 1.00 0.00 O ATOM 232 CB ALA A 28 -2.349 -8.051 -3.759 1.00 0.00 C ATOM 0 H ALA A 28 -4.083 -9.751 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.988 -7.608 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.762 -7.185 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.042 -8.920 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.183 -8.246 -4.818 1.00 0.00 H new ATOM 238 N LEU A 29 -4.620 -6.646 -5.541 1.00 0.00 N ATOM 239 CA LEU A 29 -5.080 -5.516 -6.352 1.00 0.00 C ATOM 240 C LEU A 29 -6.169 -4.730 -5.619 1.00 0.00 C ATOM 241 O LEU A 29 -6.173 -3.496 -5.634 1.00 0.00 O ATOM 242 CB LEU A 29 -5.604 -6.008 -7.706 1.00 0.00 C ATOM 243 CG LEU A 29 -5.110 -5.217 -8.919 1.00 0.00 C ATOM 244 CD1 LEU A 29 -4.320 -6.115 -9.857 1.00 0.00 C ATOM 245 CD2 LEU A 29 -6.280 -4.580 -9.653 1.00 0.00 C ATOM 0 H LEU A 29 -4.593 -7.536 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.232 -4.853 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.318 -7.052 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.693 -5.976 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.451 -4.424 -8.566 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.977 -5.535 -10.714 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.459 -6.525 -9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.956 -6.930 -10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.910 -4.022 -10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.963 -5.358 -9.993 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.807 -3.903 -8.980 1.00 0.00 H new ATOM 257 N ALA A 30 -7.076 -5.456 -4.957 1.00 0.00 N ATOM 258 CA ALA A 30 -8.154 -4.830 -4.195 1.00 0.00 C ATOM 259 C ALA A 30 -7.580 -3.937 -3.096 1.00 0.00 C ATOM 260 O ALA A 30 -8.080 -2.836 -2.854 1.00 0.00 O ATOM 261 CB ALA A 30 -9.071 -5.892 -3.602 1.00 0.00 C ATOM 0 H ALA A 30 -7.083 -6.476 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.742 -4.208 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.869 -5.410 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.504 -6.488 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.497 -6.539 -2.939 1.00 0.00 H new ATOM 267 N LEU A 31 -6.500 -4.403 -2.460 1.00 0.00 N ATOM 268 CA LEU A 31 -5.837 -3.629 -1.415 1.00 0.00 C ATOM 269 C LEU A 31 -5.263 -2.352 -2.018 1.00 0.00 C ATOM 270 O LEU A 31 -5.443 -1.258 -1.475 1.00 0.00 O ATOM 271 CB LEU A 31 -4.736 -4.458 -0.747 1.00 0.00 C ATOM 272 CG LEU A 31 -5.237 -5.635 0.093 1.00 0.00 C ATOM 273 CD1 LEU A 31 -4.103 -6.601 0.391 1.00 0.00 C ATOM 274 CD2 LEU A 31 -5.865 -5.136 1.383 1.00 0.00 C ATOM 0 H LEU A 31 -6.071 -5.308 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.565 -3.364 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.069 -4.840 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.143 -3.802 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.998 -6.167 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.480 -7.431 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.696 -6.984 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.319 -6.083 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.216 -5.985 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.124 -4.581 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.706 -4.484 1.149 1.00 0.00 H new ATOM 286 N VAL A 32 -4.609 -2.496 -3.174 1.00 0.00 N ATOM 287 CA VAL A 32 -4.049 -1.346 -3.883 1.00 0.00 C ATOM 288 C VAL A 32 -5.171 -0.366 -4.223 1.00 0.00 C ATOM 289 O VAL A 32 -5.056 0.835 -3.974 1.00 0.00 O ATOM 290 CB VAL A 32 -3.319 -1.762 -5.179 1.00 0.00 C ATOM 291 CG1 VAL A 32 -2.668 -0.557 -5.840 1.00 0.00 C ATOM 292 CG2 VAL A 32 -2.279 -2.837 -4.892 1.00 0.00 C ATOM 0 H VAL A 32 -4.456 -3.393 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.316 -0.875 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.058 -2.174 -5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.159 -0.872 -6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.433 0.179 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.945 -0.113 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.777 -3.115 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.545 -2.453 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.769 -3.713 -4.468 1.00 0.00 H new ATOM 302 N VAL A 33 -6.275 -0.899 -4.763 1.00 0.00 N ATOM 303 CA VAL A 33 -7.439 -0.081 -5.100 1.00 0.00 C ATOM 304 C VAL A 33 -7.909 0.682 -3.863 1.00 0.00 C ATOM 305 O VAL A 33 -8.087 1.900 -3.906 1.00 0.00 O ATOM 306 CB VAL A 33 -8.601 -0.940 -5.651 1.00 0.00 C ATOM 307 CG1 VAL A 33 -9.868 -0.110 -5.799 1.00 0.00 C ATOM 308 CG2 VAL A 33 -8.219 -1.567 -6.983 1.00 0.00 C ATOM 0 H VAL A 33 -6.383 -1.891 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.140 0.620 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.798 -1.739 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.670 -0.737 -6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.158 0.288 -4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.685 0.714 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.050 -2.167 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.989 -0.781 -7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.344 -2.203 -6.848 1.00 0.00 H new ATOM 318 N LEU A 34 -8.075 -0.042 -2.750 1.00 0.00 N ATOM 319 CA LEU A 34 -8.486 0.574 -1.490 1.00 0.00 C ATOM 320 C LEU A 34 -7.496 1.673 -1.107 1.00 0.00 C ATOM 321 O LEU A 34 -7.897 2.785 -0.759 1.00 0.00 O ATOM 322 CB LEU A 34 -8.577 -0.479 -0.378 1.00 0.00 C ATOM 323 CG LEU A 34 -9.997 -0.938 -0.039 1.00 0.00 C ATOM 324 CD1 LEU A 34 -10.534 -1.859 -1.121 1.00 0.00 C ATOM 325 CD2 LEU A 34 -10.025 -1.636 1.311 1.00 0.00 C ATOM 0 H LEU A 34 -7.931 -1.051 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.474 1.015 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.990 -1.349 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.117 -0.075 0.524 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.637 -0.057 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.545 -2.175 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.552 -1.329 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.891 -2.735 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.043 -1.955 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.370 -2.506 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.683 -0.948 2.084 1.00 0.00 H new ATOM 337 N ALA A 35 -6.198 1.365 -1.209 1.00 0.00 N ATOM 338 CA ALA A 35 -5.152 2.339 -0.910 1.00 0.00 C ATOM 339 C ALA A 35 -5.341 3.589 -1.770 1.00 0.00 C ATOM 340 O ALA A 35 -5.320 4.714 -1.264 1.00 0.00 O ATOM 341 CB ALA A 35 -3.775 1.729 -1.140 1.00 0.00 C ATOM 0 H ALA A 35 -5.851 0.450 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.225 2.625 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.007 2.468 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.648 0.862 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.684 1.419 -2.181 1.00 0.00 H new ATOM 347 N ILE A 36 -5.562 3.377 -3.073 1.00 0.00 N ATOM 348 CA ILE A 36 -5.798 4.478 -4.004 1.00 0.00 C ATOM 349 C ILE A 36 -7.021 5.279 -3.552 1.00 0.00 C ATOM 350 O ILE A 36 -6.979 6.511 -3.478 1.00 0.00 O ATOM 351 CB ILE A 36 -6.025 3.970 -5.447 1.00 0.00 C ATOM 352 CG1 ILE A 36 -4.794 3.212 -5.951 1.00 0.00 C ATOM 353 CG2 ILE A 36 -6.347 5.128 -6.383 1.00 0.00 C ATOM 354 CD1 ILE A 36 -5.113 2.184 -7.017 1.00 0.00 C ATOM 0 H ILE A 36 -5.582 2.452 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.910 5.110 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.875 3.288 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.075 3.927 -6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.314 2.714 -5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.503 4.747 -7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.251 5.631 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.517 5.835 -6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.195 1.685 -7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.808 1.447 -6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.566 2.679 -7.876 1.00 0.00 H new ATOM 366 N VAL A 37 -8.096 4.561 -3.221 1.00 0.00 N ATOM 367 CA VAL A 37 -9.325 5.189 -2.739 1.00 0.00 C ATOM 368 C VAL A 37 -9.030 6.042 -1.507 1.00 0.00 C ATOM 369 O VAL A 37 -9.482 7.183 -1.411 1.00 0.00 O ATOM 370 CB VAL A 37 -10.406 4.139 -2.391 1.00 0.00 C ATOM 371 CG1 VAL A 37 -11.663 4.813 -1.860 1.00 0.00 C ATOM 372 CG2 VAL A 37 -10.736 3.280 -3.603 1.00 0.00 C ATOM 0 H VAL A 37 -8.139 3.544 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.708 5.818 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.007 3.492 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.409 4.055 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.420 5.378 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.061 5.489 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.498 2.549 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.109 3.914 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.837 2.761 -3.937 1.00 0.00 H new ATOM 382 N VAL A 38 -8.247 5.487 -0.577 1.00 0.00 N ATOM 383 CA VAL A 38 -7.867 6.204 0.640 1.00 0.00 C ATOM 384 C VAL A 38 -7.080 7.468 0.290 1.00 0.00 C ATOM 385 O VAL A 38 -7.415 8.568 0.741 1.00 0.00 O ATOM 386 CB VAL A 38 -7.019 5.318 1.584 1.00 0.00 C ATOM 387 CG1 VAL A 38 -6.539 6.110 2.790 1.00 0.00 C ATOM 388 CG2 VAL A 38 -7.808 4.097 2.033 1.00 0.00 C ATOM 0 H VAL A 38 -7.865 4.544 -0.645 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.787 6.475 1.157 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.145 4.979 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.946 5.464 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.928 6.948 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.399 6.487 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.192 3.489 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.704 4.418 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.094 3.508 1.162 1.00 0.00 H new ATOM 398 N GLN A 39 -6.038 7.304 -0.531 1.00 0.00 N ATOM 399 CA GLN A 39 -5.205 8.427 -0.961 1.00 0.00 C ATOM 400 C GLN A 39 -6.058 9.512 -1.620 1.00 0.00 C ATOM 401 O GLN A 39 -5.926 10.700 -1.302 1.00 0.00 O ATOM 402 CB GLN A 39 -4.121 7.946 -1.931 1.00 0.00 C ATOM 403 CG GLN A 39 -2.876 8.826 -1.938 1.00 0.00 C ATOM 404 CD GLN A 39 -2.480 9.274 -3.333 1.00 0.00 C ATOM 405 OE1 GLN A 39 -1.939 8.496 -4.114 1.00 0.00 O ATOM 406 NE2 GLN A 39 -2.748 10.533 -3.654 1.00 0.00 N ATOM 0 H GLN A 39 -5.752 6.401 -0.911 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.725 8.853 -0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.835 6.928 -1.667 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.536 7.910 -2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.053 9.704 -1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.047 8.279 -1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.199 11.147 -2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.503 10.887 -4.579 1.00 0.00 H new ATOM 415 N MET A 40 -6.942 9.097 -2.530 1.00 0.00 N ATOM 416 CA MET A 40 -7.830 10.026 -3.224 1.00 0.00 C ATOM 417 C MET A 40 -8.770 10.710 -2.231 1.00 0.00 C ATOM 418 O MET A 40 -8.865 11.940 -2.197 1.00 0.00 O ATOM 419 CB MET A 40 -8.638 9.289 -4.297 1.00 0.00 C ATOM 420 CG MET A 40 -9.273 10.210 -5.327 1.00 0.00 C ATOM 421 SD MET A 40 -9.250 9.511 -6.989 1.00 0.00 S ATOM 422 CE MET A 40 -7.764 10.263 -7.651 1.00 0.00 C ATOM 0 H MET A 40 -7.060 8.121 -2.802 1.00 0.00 H new ATOM 0 HA MET A 40 -7.221 10.790 -3.708 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.985 8.582 -4.809 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.421 8.706 -3.812 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.303 10.417 -5.038 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.745 11.164 -5.331 1.00 0.00 H new ATOM 0 HE1 MET A 40 -7.612 9.927 -8.677 1.00 0.00 H new ATOM 0 HE2 MET A 40 -7.867 11.348 -7.636 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.907 9.972 -7.044 1.00 0.00 H new ATOM 432 N ALA A 41 -9.449 9.902 -1.411 1.00 0.00 N ATOM 433 CA ALA A 41 -10.370 10.419 -0.402 1.00 0.00 C ATOM 434 C ALA A 41 -9.685 11.469 0.472 1.00 0.00 C ATOM 435 O ALA A 41 -10.204 12.571 0.649 1.00 0.00 O ATOM 436 CB ALA A 41 -10.912 9.280 0.452 1.00 0.00 C ATOM 0 H ALA A 41 -9.376 8.885 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.205 10.898 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.597 9.680 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.442 8.570 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.085 8.774 0.951 1.00 0.00 H new ATOM 442 N VAL A 42 -8.510 11.125 1.001 1.00 0.00 N ATOM 443 CA VAL A 42 -7.747 12.048 1.841 1.00 0.00 C ATOM 444 C VAL A 42 -7.326 13.286 1.044 1.00 0.00 C ATOM 445 O VAL A 42 -7.531 14.417 1.487 1.00 0.00 O ATOM 446 CB VAL A 42 -6.492 11.369 2.436 1.00 0.00 C ATOM 447 CG1 VAL A 42 -5.587 12.390 3.111 1.00 0.00 C ATOM 448 CG2 VAL A 42 -6.890 10.282 3.423 1.00 0.00 C ATOM 0 H VAL A 42 -8.067 10.217 0.863 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.399 12.350 2.660 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.937 10.911 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.712 11.886 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.268 13.133 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.132 12.883 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.994 9.815 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.472 10.722 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.490 9.529 2.912 1.00 0.00 H new ATOM 458 N THR A 43 -6.748 13.059 -0.136 1.00 0.00 N ATOM 459 CA THR A 43 -6.303 14.154 -1.007 1.00 0.00 C ATOM 460 C THR A 43 -7.452 15.117 -1.321 1.00 0.00 C ATOM 461 O THR A 43 -7.247 16.328 -1.408 1.00 0.00 O ATOM 462 CB THR A 43 -5.717 13.601 -2.314 1.00 0.00 C ATOM 463 OG1 THR A 43 -4.685 12.665 -2.053 1.00 0.00 O ATOM 464 CG2 THR A 43 -5.137 14.671 -3.213 1.00 0.00 C ATOM 0 H THR A 43 -6.576 12.127 -0.513 1.00 0.00 H new ATOM 0 HA THR A 43 -5.528 14.704 -0.473 1.00 0.00 H new ATOM 0 HB THR A 43 -6.559 13.132 -2.823 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.020 11.757 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.741 14.210 -4.118 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.917 15.384 -3.480 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.335 15.191 -2.689 1.00 0.00 H new ATOM 472 N MET A 44 -8.656 14.571 -1.498 1.00 0.00 N ATOM 473 CA MET A 44 -9.838 15.380 -1.811 1.00 0.00 C ATOM 474 C MET A 44 -10.423 16.042 -0.558 1.00 0.00 C ATOM 475 O MET A 44 -10.719 17.237 -0.566 1.00 0.00 O ATOM 476 CB MET A 44 -10.903 14.513 -2.491 1.00 0.00 C ATOM 477 CG MET A 44 -10.645 14.280 -3.971 1.00 0.00 C ATOM 478 SD MET A 44 -12.122 13.745 -4.856 1.00 0.00 S ATOM 479 CE MET A 44 -13.070 15.263 -4.888 1.00 0.00 C ATOM 0 H MET A 44 -8.840 13.570 -1.430 1.00 0.00 H new ATOM 0 HA MET A 44 -9.525 16.173 -2.490 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.953 13.550 -1.984 1.00 0.00 H new ATOM 0 HB3 MET A 44 -11.877 14.988 -2.371 1.00 0.00 H new ATOM 0 HG2 MET A 44 -10.270 15.200 -4.420 1.00 0.00 H new ATOM 0 HG3 MET A 44 -9.864 13.528 -4.086 1.00 0.00 H new ATOM 0 HE1 MET A 44 -13.818 15.208 -5.679 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.567 15.402 -3.928 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.403 16.104 -5.077 1.00 0.00 H new ATOM 489 N VAL A 45 -10.599 15.261 0.509 1.00 0.00 N ATOM 490 CA VAL A 45 -11.159 15.774 1.764 1.00 0.00 C ATOM 491 C VAL A 45 -10.243 16.821 2.408 1.00 0.00 C ATOM 492 O VAL A 45 -10.714 17.854 2.884 1.00 0.00 O ATOM 493 CB VAL A 45 -11.429 14.630 2.770 1.00 0.00 C ATOM 494 CG1 VAL A 45 -11.742 15.179 4.156 1.00 0.00 C ATOM 495 CG2 VAL A 45 -12.569 13.752 2.281 1.00 0.00 C ATOM 0 H VAL A 45 -10.362 14.269 0.531 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.106 16.252 1.511 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.525 14.026 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.927 14.352 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.896 15.765 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.627 15.813 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.746 12.952 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.472 14.353 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.307 13.320 1.315 1.00 0.00 H new ATOM 505 N LEU A 46 -8.938 16.550 2.424 1.00 0.00 N ATOM 506 CA LEU A 46 -7.974 17.483 3.010 1.00 0.00 C ATOM 507 C LEU A 46 -7.743 18.681 2.085 1.00 0.00 C ATOM 508 O LEU A 46 -8.344 18.777 1.013 1.00 0.00 O ATOM 509 CB LEU A 46 -6.647 16.768 3.298 1.00 0.00 C ATOM 510 CG LEU A 46 -6.264 16.686 4.777 1.00 0.00 C ATOM 511 CD1 LEU A 46 -7.175 15.715 5.511 1.00 0.00 C ATOM 512 CD2 LEU A 46 -4.813 16.266 4.926 1.00 0.00 C ATOM 0 H LEU A 46 -8.526 15.699 2.041 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.385 17.852 3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.702 15.756 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.851 17.282 2.760 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.386 17.675 5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.888 15.670 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.208 16.054 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.084 14.724 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.557 16.212 5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.668 15.288 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.171 16.996 4.433 1.00 0.00 H new ATOM 524 N HIS A 47 -6.872 19.598 2.499 1.00 0.00 N ATOM 525 CA HIS A 47 -6.573 20.784 1.698 1.00 0.00 C ATOM 526 C HIS A 47 -5.683 20.431 0.501 1.00 0.00 C ATOM 527 O HIS A 47 -4.548 20.900 0.395 1.00 0.00 O ATOM 528 CB HIS A 47 -5.909 21.859 2.567 1.00 0.00 C ATOM 529 CG HIS A 47 -6.884 22.797 3.205 1.00 0.00 C ATOM 530 ND1 HIS A 47 -8.141 22.409 3.615 1.00 0.00 N ATOM 531 CD2 HIS A 47 -6.783 24.112 3.500 1.00 0.00 C ATOM 532 CE1 HIS A 47 -8.773 23.446 4.136 1.00 0.00 C ATOM 533 NE2 HIS A 47 -7.971 24.492 4.079 1.00 0.00 N ATOM 0 H HIS A 47 -6.362 19.544 3.381 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.512 21.179 1.311 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -5.321 21.373 3.346 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.214 22.432 1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.929 24.746 3.315 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.775 23.439 4.539 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.196 25.430 4.411 1.00 0.00 H new ATOM 542 N GLY A 48 -6.215 19.599 -0.398 1.00 0.00 N ATOM 543 CA GLY A 48 -5.467 19.189 -1.578 1.00 0.00 C ATOM 544 C GLY A 48 -5.355 20.295 -2.608 1.00 0.00 C ATOM 545 O GLY A 48 -4.258 20.773 -2.891 1.00 0.00 O ATOM 0 H GLY A 48 -7.152 19.202 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.468 18.873 -1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.953 18.324 -2.030 1.00 0.00 H new ATOM 549 N GLN A 49 -6.498 20.706 -3.165 1.00 0.00 N ATOM 550 CA GLN A 49 -6.537 21.772 -4.172 1.00 0.00 C ATOM 551 C GLN A 49 -5.964 21.299 -5.514 1.00 0.00 C ATOM 552 O GLN A 49 -5.392 20.211 -5.615 1.00 0.00 O ATOM 553 CB GLN A 49 -5.769 23.003 -3.673 1.00 0.00 C ATOM 554 CG GLN A 49 -6.571 24.296 -3.728 1.00 0.00 C ATOM 555 CD GLN A 49 -5.748 25.511 -3.346 1.00 0.00 C ATOM 556 OE1 GLN A 49 -4.972 26.022 -4.146 1.00 0.00 O ATOM 557 NE2 GLN A 49 -5.916 25.983 -2.119 1.00 0.00 N ATOM 0 H GLN A 49 -7.412 20.315 -2.935 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.581 22.042 -4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.451 22.828 -2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.865 23.122 -4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.966 24.431 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.427 24.217 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.572 25.529 -1.483 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.390 26.800 -1.810 1.00 0.00 H new ATOM 566 N VAL A 50 -6.114 22.131 -6.546 1.00 0.00 N ATOM 567 CA VAL A 50 -5.604 21.803 -7.880 1.00 0.00 C ATOM 568 C VAL A 50 -4.103 22.106 -7.983 1.00 0.00 C ATOM 569 O VAL A 50 -3.681 23.071 -8.623 1.00 0.00 O ATOM 570 CB VAL A 50 -6.386 22.557 -8.987 1.00 0.00 C ATOM 571 CG1 VAL A 50 -6.229 24.065 -8.849 1.00 0.00 C ATOM 572 CG2 VAL A 50 -5.937 22.097 -10.366 1.00 0.00 C ATOM 0 H VAL A 50 -6.583 23.035 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.752 20.734 -8.033 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.443 22.320 -8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.789 24.563 -9.640 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.610 24.383 -7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.175 24.330 -8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.497 22.637 -11.130 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.872 22.296 -10.487 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.120 21.028 -10.470 1.00 0.00 H new ATOM 582 N GLU A 51 -3.301 21.268 -7.328 1.00 0.00 N ATOM 583 CA GLU A 51 -1.847 21.433 -7.321 1.00 0.00 C ATOM 584 C GLU A 51 -1.131 20.182 -7.838 1.00 0.00 C ATOM 585 O GLU A 51 -0.232 20.275 -8.681 1.00 0.00 O ATOM 586 CB GLU A 51 -1.355 21.779 -5.908 1.00 0.00 C ATOM 587 CG GLU A 51 -1.988 20.939 -4.796 1.00 0.00 C ATOM 588 CD GLU A 51 -1.100 19.802 -4.332 1.00 0.00 C ATOM 589 OE1 GLU A 51 0.007 20.076 -3.830 1.00 0.00 O ATOM 590 OE2 GLU A 51 -1.515 18.626 -4.464 1.00 0.00 O ATOM 0 H GLU A 51 -3.634 20.466 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.607 22.255 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.273 21.652 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.559 22.832 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.216 21.583 -3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.935 20.531 -5.151 1.00 0.00 H new ATOM 597 N SER A 52 -1.527 19.015 -7.325 1.00 0.00 N ATOM 598 CA SER A 52 -0.921 17.739 -7.725 1.00 0.00 C ATOM 599 C SER A 52 -0.873 17.587 -9.247 1.00 0.00 C ATOM 600 O SER A 52 -1.670 18.189 -9.966 1.00 0.00 O ATOM 601 CB SER A 52 -1.690 16.571 -7.102 1.00 0.00 C ATOM 602 OG SER A 52 -1.335 16.402 -5.740 1.00 0.00 O ATOM 0 H SER A 52 -2.267 18.925 -6.629 1.00 0.00 H new ATOM 0 HA SER A 52 0.106 17.731 -7.359 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.762 16.751 -7.183 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.478 15.655 -7.654 1.00 0.00 H new ATOM 0 HG SER A 52 -1.714 17.134 -5.210 1.00 0.00 H new ATOM 608 N ILE A 53 0.085 16.791 -9.731 1.00 0.00 N ATOM 609 CA ILE A 53 0.271 16.561 -11.172 1.00 0.00 C ATOM 610 C ILE A 53 1.016 17.734 -11.825 1.00 0.00 C ATOM 611 O ILE A 53 1.994 17.526 -12.543 1.00 0.00 O ATOM 612 CB ILE A 53 -1.076 16.277 -11.903 1.00 0.00 C ATOM 613 CG1 ILE A 53 -0.981 14.969 -12.692 1.00 0.00 C ATOM 614 CG2 ILE A 53 -1.478 17.419 -12.831 1.00 0.00 C ATOM 615 CD1 ILE A 53 -1.077 13.729 -11.827 1.00 0.00 C ATOM 0 H ILE A 53 0.750 16.290 -9.142 1.00 0.00 H new ATOM 0 HA ILE A 53 0.884 15.666 -11.275 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.849 16.188 -11.139 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.777 14.945 -13.436 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.036 14.950 -13.235 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.422 17.177 -13.318 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.593 18.335 -12.252 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.706 17.563 -13.587 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.002 12.841 -12.455 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.265 13.729 -11.100 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.033 13.724 -11.304 1.00 0.00 H new ATOM 627 N ASP A 54 0.562 18.961 -11.555 1.00 0.00 N ATOM 628 CA ASP A 54 1.203 20.155 -12.099 1.00 0.00 C ATOM 629 C ASP A 54 2.336 20.614 -11.178 1.00 0.00 C ATOM 630 O ASP A 54 3.461 20.843 -11.625 1.00 0.00 O ATOM 631 CB ASP A 54 0.174 21.274 -12.281 1.00 0.00 C ATOM 632 CG ASP A 54 0.523 22.194 -13.430 1.00 0.00 C ATOM 633 OD1 ASP A 54 0.239 21.826 -14.589 1.00 0.00 O ATOM 634 OD2 ASP A 54 1.079 23.280 -13.172 1.00 0.00 O ATOM 0 H ASP A 54 -0.247 19.151 -10.963 1.00 0.00 H new ATOM 0 HA ASP A 54 1.626 19.912 -13.074 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.809 20.836 -12.455 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.106 21.855 -11.361 1.00 0.00 H new ATOM 639 N VAL A 55 2.031 20.729 -9.884 1.00 0.00 N ATOM 640 CA VAL A 55 3.019 21.140 -8.888 1.00 0.00 C ATOM 641 C VAL A 55 3.944 19.970 -8.524 1.00 0.00 C ATOM 642 O VAL A 55 3.684 18.818 -8.891 1.00 0.00 O ATOM 643 CB VAL A 55 2.327 21.692 -7.613 1.00 0.00 C ATOM 644 CG1 VAL A 55 2.104 20.595 -6.580 1.00 0.00 C ATOM 645 CG2 VAL A 55 3.129 22.837 -7.015 1.00 0.00 C ATOM 0 H VAL A 55 1.104 20.542 -9.502 1.00 0.00 H new ATOM 0 HA VAL A 55 3.621 21.937 -9.325 1.00 0.00 H new ATOM 0 HB VAL A 55 1.350 22.073 -7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.618 21.017 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.471 19.817 -7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.064 20.165 -6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.624 23.207 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.125 22.483 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.213 23.642 -7.745 1.00 0.00 H new ATOM 655 N ILE A 56 5.025 20.263 -7.800 1.00 0.00 N ATOM 656 CA ILE A 56 5.983 19.229 -7.390 1.00 0.00 C ATOM 657 C ILE A 56 5.357 18.268 -6.367 1.00 0.00 C ATOM 658 O ILE A 56 5.762 18.224 -5.204 1.00 0.00 O ATOM 659 CB ILE A 56 7.272 19.852 -6.800 1.00 0.00 C ATOM 660 CG1 ILE A 56 7.806 20.957 -7.715 1.00 0.00 C ATOM 661 CG2 ILE A 56 8.338 18.784 -6.593 1.00 0.00 C ATOM 662 CD1 ILE A 56 7.710 22.342 -7.111 1.00 0.00 C ATOM 0 H ILE A 56 5.261 21.204 -7.485 1.00 0.00 H new ATOM 0 HA ILE A 56 6.248 18.667 -8.286 1.00 0.00 H new ATOM 0 HB ILE A 56 7.024 20.290 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.848 20.746 -7.956 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.252 20.940 -8.654 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.236 19.242 -6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.965 18.026 -5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.577 18.318 -7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.106 23.074 -7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.667 22.574 -6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.288 22.377 -6.187 1.00 0.00 H new ATOM 674 N ARG A 57 4.355 17.510 -6.811 1.00 0.00 N ATOM 675 CA ARG A 57 3.658 16.558 -5.941 1.00 0.00 C ATOM 676 C ARG A 57 4.021 15.102 -6.260 1.00 0.00 C ATOM 677 O ARG A 57 3.939 14.241 -5.384 1.00 0.00 O ATOM 678 CB ARG A 57 2.145 16.759 -6.053 1.00 0.00 C ATOM 679 CG ARG A 57 1.572 17.646 -4.960 1.00 0.00 C ATOM 680 CD ARG A 57 1.483 16.913 -3.630 1.00 0.00 C ATOM 681 NE ARG A 57 0.174 17.094 -2.993 1.00 0.00 N ATOM 682 CZ ARG A 57 -0.236 16.430 -1.924 1.00 0.00 C ATOM 683 NH1 ARG A 57 0.556 15.557 -1.330 1.00 0.00 N ATOM 684 NH2 ARG A 57 -1.441 16.652 -1.443 1.00 0.00 N ATOM 0 H ARG A 57 4.006 17.535 -7.769 1.00 0.00 H new ATOM 0 HA ARG A 57 3.981 16.755 -4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.915 17.197 -7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.653 15.787 -6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.196 18.532 -4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.580 17.990 -5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.666 15.850 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.265 17.275 -2.963 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.463 17.778 -3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.494 15.389 -1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.230 15.051 -0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.053 17.332 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.763 16.144 -0.619 1.00 0.00 H new ATOM 698 N SER A 58 4.423 14.827 -7.507 1.00 0.00 N ATOM 699 CA SER A 58 4.800 13.465 -7.913 1.00 0.00 C ATOM 700 C SER A 58 5.808 12.861 -6.934 1.00 0.00 C ATOM 701 O SER A 58 5.554 11.814 -6.333 1.00 0.00 O ATOM 702 CB SER A 58 5.380 13.467 -9.333 1.00 0.00 C ATOM 703 OG SER A 58 5.850 12.178 -9.695 1.00 0.00 O ATOM 0 H SER A 58 4.496 15.523 -8.249 1.00 0.00 H new ATOM 0 HA SER A 58 3.900 12.851 -7.902 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.617 13.791 -10.040 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.197 14.186 -9.394 1.00 0.00 H new ATOM 0 HG SER A 58 6.213 12.206 -10.605 1.00 0.00 H new ATOM 709 N ILE A 59 6.944 13.542 -6.757 1.00 0.00 N ATOM 710 CA ILE A 59 7.983 13.087 -5.830 1.00 0.00 C ATOM 711 C ILE A 59 7.395 12.815 -4.443 1.00 0.00 C ATOM 712 O ILE A 59 7.791 11.859 -3.773 1.00 0.00 O ATOM 713 CB ILE A 59 9.125 14.124 -5.706 1.00 0.00 C ATOM 714 CG1 ILE A 59 9.754 14.397 -7.073 1.00 0.00 C ATOM 715 CG2 ILE A 59 10.185 13.635 -4.727 1.00 0.00 C ATOM 716 CD1 ILE A 59 9.496 15.798 -7.585 1.00 0.00 C ATOM 0 H ILE A 59 7.167 14.410 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 59 8.392 12.162 -6.237 1.00 0.00 H new ATOM 0 HB ILE A 59 8.702 15.054 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.830 14.234 -7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.365 13.678 -7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.981 14.376 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.734 13.487 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.600 12.692 -5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.970 15.923 -8.558 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.422 15.958 -7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.909 16.523 -6.884 1.00 0.00 H new ATOM 728 N PHE A 60 6.435 13.649 -4.031 1.00 0.00 N ATOM 729 CA PHE A 60 5.777 13.492 -2.733 1.00 0.00 C ATOM 730 C PHE A 60 5.288 12.056 -2.536 1.00 0.00 C ATOM 731 O PHE A 60 5.380 11.512 -1.433 1.00 0.00 O ATOM 732 CB PHE A 60 4.598 14.464 -2.612 1.00 0.00 C ATOM 733 CG PHE A 60 4.274 14.846 -1.195 1.00 0.00 C ATOM 734 CD1 PHE A 60 3.724 13.923 -0.321 1.00 0.00 C ATOM 735 CD2 PHE A 60 4.515 16.133 -0.739 1.00 0.00 C ATOM 736 CE1 PHE A 60 3.423 14.273 0.982 1.00 0.00 C ATOM 737 CE2 PHE A 60 4.217 16.488 0.562 1.00 0.00 C ATOM 738 CZ PHE A 60 3.669 15.558 1.423 1.00 0.00 C ATOM 0 H PHE A 60 6.097 14.440 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 60 6.508 13.718 -1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.823 15.367 -3.180 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.717 14.012 -3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.528 12.917 -0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.940 16.866 -1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.996 13.543 1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.413 17.493 0.906 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.433 15.835 2.440 1.00 0.00 H new ATOM 748 N PHE A 61 4.790 11.439 -3.616 1.00 0.00 N ATOM 749 CA PHE A 61 4.306 10.057 -3.557 1.00 0.00 C ATOM 750 C PHE A 61 5.337 9.149 -2.881 1.00 0.00 C ATOM 751 O PHE A 61 4.975 8.249 -2.124 1.00 0.00 O ATOM 752 CB PHE A 61 3.986 9.538 -4.963 1.00 0.00 C ATOM 753 CG PHE A 61 2.960 8.441 -4.973 1.00 0.00 C ATOM 754 CD1 PHE A 61 3.301 7.153 -4.595 1.00 0.00 C ATOM 755 CD2 PHE A 61 1.654 8.699 -5.357 1.00 0.00 C ATOM 756 CE1 PHE A 61 2.360 6.141 -4.601 1.00 0.00 C ATOM 757 CE2 PHE A 61 0.708 7.691 -5.365 1.00 0.00 C ATOM 758 CZ PHE A 61 1.061 6.410 -4.986 1.00 0.00 C ATOM 0 H PHE A 61 4.713 11.874 -4.535 1.00 0.00 H new ATOM 0 HA PHE A 61 3.392 10.044 -2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.628 10.366 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.903 9.172 -5.425 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.315 6.937 -4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.372 9.699 -5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.640 5.141 -4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.307 7.905 -5.667 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.323 5.621 -4.991 1.00 0.00 H new ATOM 768 N GLY A 62 6.622 9.408 -3.145 1.00 0.00 N ATOM 769 CA GLY A 62 7.692 8.626 -2.542 1.00 0.00 C ATOM 770 C GLY A 62 7.510 8.452 -1.045 1.00 0.00 C ATOM 771 O GLY A 62 7.719 7.360 -0.521 1.00 0.00 O ATOM 0 H GLY A 62 6.939 10.150 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.733 7.646 -3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.648 9.114 -2.735 1.00 0.00 H new ATOM 775 N LEU A 63 7.094 9.516 -0.355 1.00 0.00 N ATOM 776 CA LEU A 63 6.866 9.447 1.089 1.00 0.00 C ATOM 777 C LEU A 63 5.819 8.378 1.410 1.00 0.00 C ATOM 778 O LEU A 63 5.952 7.635 2.386 1.00 0.00 O ATOM 779 CB LEU A 63 6.417 10.808 1.632 1.00 0.00 C ATOM 780 CG LEU A 63 7.441 11.514 2.521 1.00 0.00 C ATOM 781 CD1 LEU A 63 7.128 12.998 2.618 1.00 0.00 C ATOM 782 CD2 LEU A 63 7.471 10.884 3.905 1.00 0.00 C ATOM 0 H LEU A 63 6.909 10.429 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 63 7.805 9.176 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.178 11.458 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.497 10.671 2.200 1.00 0.00 H new ATOM 0 HG LEU A 63 8.426 11.398 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.867 13.485 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.158 13.442 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.135 13.133 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.206 11.400 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.486 10.968 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.743 9.832 3.820 1.00 0.00 H new ATOM 794 N LEU A 64 4.795 8.288 0.557 1.00 0.00 N ATOM 795 CA LEU A 64 3.737 7.294 0.719 1.00 0.00 C ATOM 796 C LEU A 64 4.314 5.872 0.693 1.00 0.00 C ATOM 797 O LEU A 64 3.725 4.948 1.259 1.00 0.00 O ATOM 798 CB LEU A 64 2.688 7.466 -0.388 1.00 0.00 C ATOM 799 CG LEU A 64 1.449 6.576 -0.272 1.00 0.00 C ATOM 800 CD1 LEU A 64 0.553 7.047 0.861 1.00 0.00 C ATOM 801 CD2 LEU A 64 0.686 6.568 -1.586 1.00 0.00 C ATOM 0 H LEU A 64 4.678 8.895 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 64 3.262 7.447 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.365 8.507 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.165 7.270 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 64 1.772 5.559 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.322 6.400 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.104 7.008 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.234 8.072 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.194 5.931 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.375 7.583 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.329 6.184 -2.378 1.00 0.00 H new ATOM 813 N ILE A 65 5.476 5.707 0.048 1.00 0.00 N ATOM 814 CA ILE A 65 6.129 4.404 -0.032 1.00 0.00 C ATOM 815 C ILE A 65 6.503 3.876 1.357 1.00 0.00 C ATOM 816 O ILE A 65 6.591 2.670 1.552 1.00 0.00 O ATOM 817 CB ILE A 65 7.386 4.441 -0.940 1.00 0.00 C ATOM 818 CG1 ILE A 65 7.477 3.159 -1.769 1.00 0.00 C ATOM 819 CG2 ILE A 65 8.659 4.632 -0.123 1.00 0.00 C ATOM 820 CD1 ILE A 65 6.769 3.248 -3.103 1.00 0.00 C ATOM 0 H ILE A 65 5.978 6.460 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 65 5.406 3.723 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 65 7.289 5.294 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.527 2.921 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.052 2.335 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.520 4.653 -0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.602 5.572 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.766 3.807 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.876 2.303 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.711 3.455 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.209 4.050 -3.696 1.00 0.00 H new ATOM 832 N THR A 66 6.713 4.779 2.323 1.00 0.00 N ATOM 833 CA THR A 66 7.063 4.359 3.682 1.00 0.00 C ATOM 834 C THR A 66 5.941 3.502 4.277 1.00 0.00 C ATOM 835 O THR A 66 6.129 2.303 4.505 1.00 0.00 O ATOM 836 CB THR A 66 7.362 5.573 4.577 1.00 0.00 C ATOM 837 OG1 THR A 66 8.651 6.089 4.300 1.00 0.00 O ATOM 838 CG2 THR A 66 7.310 5.266 6.058 1.00 0.00 C ATOM 0 H THR A 66 6.648 5.788 2.191 1.00 0.00 H new ATOM 0 HA THR A 66 7.970 3.756 3.632 1.00 0.00 H new ATOM 0 HB THR A 66 6.579 6.295 4.346 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.825 6.862 4.877 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.531 6.170 6.625 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.315 4.908 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.047 4.499 6.297 1.00 0.00 H new ATOM 846 N PRO A 67 4.744 4.087 4.513 1.00 0.00 N ATOM 847 CA PRO A 67 3.602 3.337 5.057 1.00 0.00 C ATOM 848 C PRO A 67 3.152 2.226 4.107 1.00 0.00 C ATOM 849 O PRO A 67 2.807 1.127 4.543 1.00 0.00 O ATOM 850 CB PRO A 67 2.508 4.399 5.213 1.00 0.00 C ATOM 851 CG PRO A 67 2.896 5.491 4.275 1.00 0.00 C ATOM 852 CD PRO A 67 4.397 5.497 4.247 1.00 0.00 C ATOM 0 HA PRO A 67 3.846 2.835 5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.527 3.995 4.964 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.453 4.761 6.240 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.488 5.314 3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.508 6.452 4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.781 5.831 3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.811 6.163 5.003 1.00 0.00 H new ATOM 860 N TRP A 68 3.173 2.523 2.803 1.00 0.00 N ATOM 861 CA TRP A 68 2.786 1.555 1.778 1.00 0.00 C ATOM 862 C TRP A 68 3.684 0.318 1.837 1.00 0.00 C ATOM 863 O TRP A 68 3.194 -0.810 1.879 1.00 0.00 O ATOM 864 CB TRP A 68 2.861 2.201 0.390 1.00 0.00 C ATOM 865 CG TRP A 68 2.321 1.336 -0.707 1.00 0.00 C ATOM 866 CD1 TRP A 68 1.055 1.355 -1.216 1.00 0.00 C ATOM 867 CD2 TRP A 68 3.031 0.325 -1.431 1.00 0.00 C ATOM 868 NE1 TRP A 68 0.935 0.417 -2.214 1.00 0.00 N ATOM 869 CE2 TRP A 68 2.133 -0.228 -2.364 1.00 0.00 C ATOM 870 CE3 TRP A 68 4.339 -0.165 -1.383 1.00 0.00 C ATOM 871 CZ2 TRP A 68 2.502 -1.245 -3.239 1.00 0.00 C ATOM 872 CZ3 TRP A 68 4.703 -1.176 -2.252 1.00 0.00 C ATOM 873 CH2 TRP A 68 3.789 -1.706 -3.169 1.00 0.00 C ATOM 0 H TRP A 68 3.456 3.431 2.434 1.00 0.00 H new ATOM 0 HA TRP A 68 1.759 1.242 1.967 1.00 0.00 H new ATOM 0 HB2 TRP A 68 2.308 3.140 0.406 1.00 0.00 H new ATOM 0 HB3 TRP A 68 3.900 2.447 0.169 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.264 2.011 -0.884 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.090 0.232 -2.755 1.00 0.00 H new ATOM 0 HE3 TRP A 68 5.052 0.239 -0.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.798 -1.656 -3.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 5.711 -1.564 -2.223 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.105 -2.495 -3.835 1.00 0.00 H new ATOM 884 N ALA A 69 5.000 0.541 1.857 1.00 0.00 N ATOM 885 CA ALA A 69 5.963 -0.553 1.932 1.00 0.00 C ATOM 886 C ALA A 69 5.777 -1.345 3.222 1.00 0.00 C ATOM 887 O ALA A 69 5.723 -2.570 3.197 1.00 0.00 O ATOM 888 CB ALA A 69 7.389 -0.024 1.828 1.00 0.00 C ATOM 0 H ALA A 69 5.420 1.470 1.822 1.00 0.00 H new ATOM 0 HA ALA A 69 5.785 -1.222 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.091 -0.856 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.517 0.493 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.580 0.670 2.647 1.00 0.00 H new ATOM 894 N VAL A 70 5.658 -0.636 4.347 1.00 0.00 N ATOM 895 CA VAL A 70 5.453 -1.289 5.639 1.00 0.00 C ATOM 896 C VAL A 70 4.187 -2.148 5.608 1.00 0.00 C ATOM 897 O VAL A 70 4.230 -3.346 5.897 1.00 0.00 O ATOM 898 CB VAL A 70 5.351 -0.258 6.788 1.00 0.00 C ATOM 899 CG1 VAL A 70 4.882 -0.922 8.075 1.00 0.00 C ATOM 900 CG2 VAL A 70 6.688 0.432 7.009 1.00 0.00 C ATOM 0 H VAL A 70 5.700 0.382 4.389 1.00 0.00 H new ATOM 0 HA VAL A 70 6.319 -1.924 5.825 1.00 0.00 H new ATOM 0 HB VAL A 70 4.614 0.492 6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.819 -0.176 8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.900 -1.368 7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.591 -1.698 8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.595 1.153 7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.442 -0.311 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.986 0.949 6.097 1.00 0.00 H new ATOM 910 N TYR A 71 3.064 -1.529 5.234 1.00 0.00 N ATOM 911 CA TYR A 71 1.785 -2.235 5.145 1.00 0.00 C ATOM 912 C TYR A 71 1.880 -3.412 4.176 1.00 0.00 C ATOM 913 O TYR A 71 1.607 -4.554 4.550 1.00 0.00 O ATOM 914 CB TYR A 71 0.676 -1.274 4.696 1.00 0.00 C ATOM 915 CG TYR A 71 -0.385 -1.034 5.747 1.00 0.00 C ATOM 916 CD1 TYR A 71 -1.230 -2.058 6.157 1.00 0.00 C ATOM 917 CD2 TYR A 71 -0.544 0.219 6.325 1.00 0.00 C ATOM 918 CE1 TYR A 71 -2.203 -1.837 7.116 1.00 0.00 C ATOM 919 CE2 TYR A 71 -1.514 0.446 7.282 1.00 0.00 C ATOM 920 CZ TYR A 71 -2.340 -0.586 7.674 1.00 0.00 C ATOM 921 OH TYR A 71 -3.306 -0.363 8.625 1.00 0.00 O ATOM 0 H TYR A 71 3.016 -0.540 4.988 1.00 0.00 H new ATOM 0 HA TYR A 71 1.541 -2.621 6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.124 -0.319 4.421 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.202 -1.674 3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.126 -3.041 5.721 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.102 1.030 6.021 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.852 -2.643 7.425 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.625 1.427 7.721 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.268 0.572 8.917 1.00 0.00 H new ATOM 931 N PHE A 72 2.277 -3.127 2.930 1.00 0.00 N ATOM 932 CA PHE A 72 2.417 -4.163 1.906 1.00 0.00 C ATOM 933 C PHE A 72 3.321 -5.296 2.390 1.00 0.00 C ATOM 934 O PHE A 72 2.945 -6.461 2.310 1.00 0.00 O ATOM 935 CB PHE A 72 2.963 -3.569 0.602 1.00 0.00 C ATOM 936 CG PHE A 72 2.558 -4.346 -0.620 1.00 0.00 C ATOM 937 CD1 PHE A 72 3.081 -5.608 -0.862 1.00 0.00 C ATOM 938 CD2 PHE A 72 1.654 -3.817 -1.526 1.00 0.00 C ATOM 939 CE1 PHE A 72 2.710 -6.325 -1.984 1.00 0.00 C ATOM 940 CE2 PHE A 72 1.278 -4.528 -2.650 1.00 0.00 C ATOM 941 CZ PHE A 72 1.808 -5.783 -2.879 1.00 0.00 C ATOM 0 H PHE A 72 2.506 -2.186 2.609 1.00 0.00 H new ATOM 0 HA PHE A 72 1.426 -4.575 1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.612 -2.542 0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.051 -3.531 0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.787 -6.035 -0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.237 -2.836 -1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.124 -7.307 -2.161 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.571 -4.103 -3.348 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.517 -6.340 -3.757 1.00 0.00 H new ATOM 951 N LEU A 73 4.504 -4.947 2.903 1.00 0.00 N ATOM 952 CA LEU A 73 5.443 -5.946 3.417 1.00 0.00 C ATOM 953 C LEU A 73 4.749 -6.820 4.457 1.00 0.00 C ATOM 954 O LEU A 73 4.806 -8.047 4.384 1.00 0.00 O ATOM 955 CB LEU A 73 6.679 -5.272 4.024 1.00 0.00 C ATOM 956 CG LEU A 73 7.950 -6.122 4.027 1.00 0.00 C ATOM 957 CD1 LEU A 73 9.184 -5.236 3.962 1.00 0.00 C ATOM 958 CD2 LEU A 73 7.998 -7.009 5.261 1.00 0.00 C ATOM 0 H LEU A 73 4.833 -3.984 2.973 1.00 0.00 H new ATOM 0 HA LEU A 73 5.774 -6.572 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.878 -4.352 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.450 -4.987 5.051 1.00 0.00 H new ATOM 0 HG LEU A 73 7.936 -6.761 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.079 -5.858 3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.158 -4.642 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.201 -4.572 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.910 -7.606 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.987 -6.388 6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.131 -7.670 5.268 1.00 0.00 H new ATOM 970 N SER A 74 4.059 -6.176 5.402 1.00 0.00 N ATOM 971 CA SER A 74 3.314 -6.900 6.432 1.00 0.00 C ATOM 972 C SER A 74 2.312 -7.836 5.768 1.00 0.00 C ATOM 973 O SER A 74 2.271 -9.035 6.059 1.00 0.00 O ATOM 974 CB SER A 74 2.589 -5.921 7.360 1.00 0.00 C ATOM 975 OG SER A 74 2.064 -6.582 8.500 1.00 0.00 O ATOM 0 H SER A 74 4.001 -5.160 5.474 1.00 0.00 H new ATOM 0 HA SER A 74 4.012 -7.484 7.032 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.279 -5.139 7.677 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.781 -5.432 6.816 1.00 0.00 H new ATOM 0 HG SER A 74 1.609 -5.932 9.074 1.00 0.00 H new ATOM 981 N VAL A 75 1.523 -7.283 4.841 1.00 0.00 N ATOM 982 CA VAL A 75 0.540 -8.069 4.100 1.00 0.00 C ATOM 983 C VAL A 75 1.221 -9.257 3.422 1.00 0.00 C ATOM 984 O VAL A 75 0.696 -10.366 3.435 1.00 0.00 O ATOM 985 CB VAL A 75 -0.191 -7.219 3.037 1.00 0.00 C ATOM 986 CG1 VAL A 75 -1.203 -8.065 2.276 1.00 0.00 C ATOM 987 CG2 VAL A 75 -0.874 -6.021 3.679 1.00 0.00 C ATOM 0 H VAL A 75 1.548 -6.295 4.589 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.200 -8.426 4.816 1.00 0.00 H new ATOM 0 HB VAL A 75 0.551 -6.850 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.707 -7.448 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.689 -8.887 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.939 -8.467 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.382 -5.437 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.602 -6.367 4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.128 -5.399 4.174 1.00 0.00 H new ATOM 997 N VAL A 76 2.407 -9.020 2.852 1.00 0.00 N ATOM 998 CA VAL A 76 3.176 -10.074 2.192 1.00 0.00 C ATOM 999 C VAL A 76 3.537 -11.169 3.194 1.00 0.00 C ATOM 1000 O VAL A 76 3.296 -12.350 2.949 1.00 0.00 O ATOM 1001 CB VAL A 76 4.470 -9.520 1.552 1.00 0.00 C ATOM 1002 CG1 VAL A 76 5.332 -10.650 1.005 1.00 0.00 C ATOM 1003 CG2 VAL A 76 4.143 -8.519 0.455 1.00 0.00 C ATOM 0 H VAL A 76 2.854 -8.104 2.836 1.00 0.00 H new ATOM 0 HA VAL A 76 2.551 -10.488 1.400 1.00 0.00 H new ATOM 0 HB VAL A 76 5.036 -9.005 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.236 -10.235 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.604 -11.326 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.774 -11.199 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.068 -8.142 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.550 -9.007 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.576 -7.689 0.877 1.00 0.00 H new ATOM 1013 N VAL A 77 4.096 -10.765 4.337 1.00 0.00 N ATOM 1014 CA VAL A 77 4.466 -11.713 5.388 1.00 0.00 C ATOM 1015 C VAL A 77 3.263 -12.579 5.767 1.00 0.00 C ATOM 1016 O VAL A 77 3.394 -13.786 5.984 1.00 0.00 O ATOM 1017 CB VAL A 77 4.995 -10.990 6.648 1.00 0.00 C ATOM 1018 CG1 VAL A 77 5.462 -11.998 7.687 1.00 0.00 C ATOM 1019 CG2 VAL A 77 6.126 -10.038 6.291 1.00 0.00 C ATOM 0 H VAL A 77 4.302 -9.790 4.557 1.00 0.00 H new ATOM 0 HA VAL A 77 5.264 -12.342 4.994 1.00 0.00 H new ATOM 0 HB VAL A 77 4.177 -10.408 7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.831 -11.470 8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.628 -12.639 7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.262 -12.608 7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.482 -9.541 7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.944 -10.598 5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.764 -9.291 5.584 1.00 0.00 H new ATOM 1029 N GLU A 78 2.087 -11.946 5.827 1.00 0.00 N ATOM 1030 CA GLU A 78 0.841 -12.639 6.157 1.00 0.00 C ATOM 1031 C GLU A 78 0.306 -13.406 4.940 1.00 0.00 C ATOM 1032 O GLU A 78 -0.038 -14.585 5.041 1.00 0.00 O ATOM 1033 CB GLU A 78 -0.198 -11.627 6.644 1.00 0.00 C ATOM 1034 CG GLU A 78 -1.424 -12.260 7.280 1.00 0.00 C ATOM 1035 CD GLU A 78 -2.482 -11.241 7.640 1.00 0.00 C ATOM 1036 OE1 GLU A 78 -3.343 -10.953 6.783 1.00 0.00 O ATOM 1037 OE2 GLU A 78 -2.446 -10.726 8.774 1.00 0.00 O ATOM 0 H GLU A 78 1.974 -10.948 5.650 1.00 0.00 H new ATOM 0 HA GLU A 78 1.041 -13.359 6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.271 -10.960 7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.515 -11.012 5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.848 -12.992 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.125 -12.801 8.178 1.00 0.00 H new ATOM 1044 N GLN A 79 0.245 -12.725 3.792 1.00 0.00 N ATOM 1045 CA GLN A 79 -0.234 -13.326 2.547 1.00 0.00 C ATOM 1046 C GLN A 79 0.609 -14.553 2.184 1.00 0.00 C ATOM 1047 O GLN A 79 1.778 -14.428 1.818 1.00 0.00 O ATOM 1048 CB GLN A 79 -0.196 -12.286 1.409 1.00 0.00 C ATOM 1049 CG GLN A 79 -0.559 -12.851 0.038 1.00 0.00 C ATOM 1050 CD GLN A 79 -1.059 -11.791 -0.935 1.00 0.00 C ATOM 1051 OE1 GLN A 79 -0.448 -10.735 -1.092 1.00 0.00 O ATOM 1052 NE2 GLN A 79 -2.171 -12.073 -1.600 1.00 0.00 N ATOM 0 H GLN A 79 0.525 -11.748 3.701 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.265 -13.651 2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.883 -11.474 1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.803 -11.854 1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.315 -13.343 -0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.327 -13.615 0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.649 -12.960 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.549 -11.403 -2.270 1.00 0.00 H new ATOM 1061 N LEU A 80 0.008 -15.740 2.296 1.00 0.00 N ATOM 1062 CA LEU A 80 0.702 -16.997 1.987 1.00 0.00 C ATOM 1063 C LEU A 80 1.071 -17.077 0.498 1.00 0.00 C ATOM 1064 O LEU A 80 0.527 -17.891 -0.250 1.00 0.00 O ATOM 1065 CB LEU A 80 -0.174 -18.191 2.391 1.00 0.00 C ATOM 1066 CG LEU A 80 0.555 -19.536 2.482 1.00 0.00 C ATOM 1067 CD1 LEU A 80 0.549 -20.055 3.911 1.00 0.00 C ATOM 1068 CD2 LEU A 80 -0.083 -20.550 1.547 1.00 0.00 C ATOM 0 H LEU A 80 -0.959 -15.859 2.599 1.00 0.00 H new ATOM 0 HA LEU A 80 1.629 -17.027 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.629 -17.976 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.987 -18.285 1.671 1.00 0.00 H new ATOM 0 HG LEU A 80 1.590 -19.385 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.072 -21.011 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.051 -19.338 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.480 -20.189 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.447 -21.500 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.127 -20.694 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.027 -20.185 0.521 1.00 0.00 H new ATOM 1080 N GLU A 81 1.995 -16.212 0.082 1.00 0.00 N ATOM 1081 CA GLU A 81 2.449 -16.153 -1.308 1.00 0.00 C ATOM 1082 C GLU A 81 3.730 -15.317 -1.422 1.00 0.00 C ATOM 1083 O GLU A 81 4.233 -14.803 -0.421 1.00 0.00 O ATOM 1084 CB GLU A 81 1.348 -15.546 -2.190 1.00 0.00 C ATOM 1085 CG GLU A 81 1.044 -16.362 -3.440 1.00 0.00 C ATOM 1086 CD GLU A 81 1.794 -15.871 -4.662 1.00 0.00 C ATOM 1087 OE1 GLU A 81 3.018 -16.105 -4.737 1.00 0.00 O ATOM 1088 OE2 GLU A 81 1.160 -15.257 -5.538 1.00 0.00 O ATOM 0 H GLU A 81 2.449 -15.535 0.695 1.00 0.00 H new ATOM 0 HA GLU A 81 2.665 -17.166 -1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.436 -15.447 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.646 -14.540 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.300 -17.406 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.027 -16.327 -3.639 1.00 0.00 H new ATOM 1095 N GLU A 82 4.251 -15.178 -2.640 1.00 0.00 N ATOM 1096 CA GLU A 82 5.464 -14.394 -2.867 1.00 0.00 C ATOM 1097 C GLU A 82 5.166 -12.892 -2.753 1.00 0.00 C ATOM 1098 O GLU A 82 5.444 -12.283 -1.717 1.00 0.00 O ATOM 1099 CB GLU A 82 6.075 -14.735 -4.237 1.00 0.00 C ATOM 1100 CG GLU A 82 7.597 -14.875 -4.214 1.00 0.00 C ATOM 1101 CD GLU A 82 8.089 -16.305 -4.409 1.00 0.00 C ATOM 1102 OE1 GLU A 82 7.267 -17.193 -4.724 1.00 0.00 O ATOM 1103 OE2 GLU A 82 9.307 -16.535 -4.241 1.00 0.00 O ATOM 0 H GLU A 82 3.854 -15.596 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 82 6.193 -14.650 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.639 -15.667 -4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.801 -13.958 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.022 -14.245 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.972 -14.499 -3.262 1.00 0.00 H new ATOM 1110 N SER A 83 4.591 -12.296 -3.811 1.00 0.00 N ATOM 1111 CA SER A 83 4.251 -10.859 -3.824 1.00 0.00 C ATOM 1112 C SER A 83 5.503 -9.985 -3.687 1.00 0.00 C ATOM 1113 O SER A 83 5.841 -9.216 -4.595 1.00 0.00 O ATOM 1114 CB SER A 83 3.255 -10.534 -2.706 1.00 0.00 C ATOM 1115 OG SER A 83 2.528 -9.352 -3.004 1.00 0.00 O ATOM 0 H SER A 83 4.350 -12.787 -4.672 1.00 0.00 H new ATOM 0 HA SER A 83 3.790 -10.637 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.565 -11.367 -2.575 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.788 -10.410 -1.763 1.00 0.00 H new ATOM 0 HG SER A 83 1.897 -9.164 -2.278 1.00 0.00 H new ATOM 1121 N ARG A 84 6.193 -10.125 -2.559 1.00 0.00 N ATOM 1122 CA ARG A 84 7.422 -9.390 -2.279 1.00 0.00 C ATOM 1123 C ARG A 84 8.430 -10.343 -1.633 1.00 0.00 C ATOM 1124 O ARG A 84 8.795 -10.186 -0.467 1.00 0.00 O ATOM 1125 CB ARG A 84 7.137 -8.193 -1.362 1.00 0.00 C ATOM 1126 CG ARG A 84 7.499 -6.851 -1.981 1.00 0.00 C ATOM 1127 CD ARG A 84 6.387 -6.334 -2.881 1.00 0.00 C ATOM 1128 NE ARG A 84 6.524 -6.833 -4.252 1.00 0.00 N ATOM 1129 CZ ARG A 84 7.164 -6.200 -5.227 1.00 0.00 C ATOM 1130 NH1 ARG A 84 7.762 -5.045 -5.003 1.00 0.00 N ATOM 1131 NH2 ARG A 84 7.220 -6.740 -6.427 1.00 0.00 N ATOM 0 H ARG A 84 5.913 -10.756 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 84 7.837 -9.001 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.079 -8.190 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.694 -8.317 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.696 -6.126 -1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.418 -6.951 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.421 -6.638 -2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.401 -5.244 -2.887 1.00 0.00 H new ATOM 0 HE ARG A 84 6.096 -7.732 -4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.735 -4.629 -4.072 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.251 -4.568 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.773 -7.640 -6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.710 -6.258 -7.181 1.00 0.00 H new ATOM 1145 N GLN A 85 8.840 -11.354 -2.407 1.00 0.00 N ATOM 1146 CA GLN A 85 9.774 -12.384 -1.942 1.00 0.00 C ATOM 1147 C GLN A 85 9.067 -13.350 -0.986 1.00 0.00 C ATOM 1148 O GLN A 85 8.395 -12.927 -0.045 1.00 0.00 O ATOM 1149 CB GLN A 85 11.003 -11.761 -1.262 1.00 0.00 C ATOM 1150 CG GLN A 85 11.916 -11.007 -2.220 1.00 0.00 C ATOM 1151 CD GLN A 85 11.764 -9.501 -2.117 1.00 0.00 C ATOM 1152 OE1 GLN A 85 10.910 -8.907 -2.771 1.00 0.00 O ATOM 1153 NE2 GLN A 85 12.591 -8.874 -1.293 1.00 0.00 N ATOM 0 H GLN A 85 8.534 -11.481 -3.372 1.00 0.00 H new ATOM 0 HA GLN A 85 10.121 -12.939 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.668 -11.079 -0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.575 -12.549 -0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.952 -11.278 -2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 85 11.701 -11.320 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.286 -9.404 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.532 -7.862 -1.184 1.00 0.00 H new ATOM 1162 N ARG A 86 9.209 -14.650 -1.245 1.00 0.00 N ATOM 1163 CA ARG A 86 8.573 -15.673 -0.411 1.00 0.00 C ATOM 1164 C ARG A 86 9.125 -15.648 1.019 1.00 0.00 C ATOM 1165 O ARG A 86 10.039 -16.404 1.360 1.00 0.00 O ATOM 1166 CB ARG A 86 8.766 -17.058 -1.034 1.00 0.00 C ATOM 1167 CG ARG A 86 7.759 -18.088 -0.550 1.00 0.00 C ATOM 1168 CD ARG A 86 7.140 -18.854 -1.710 1.00 0.00 C ATOM 1169 NE ARG A 86 7.291 -20.304 -1.549 1.00 0.00 N ATOM 1170 CZ ARG A 86 6.693 -21.023 -0.605 1.00 0.00 C ATOM 1171 NH1 ARG A 86 5.888 -20.446 0.270 1.00 0.00 N ATOM 1172 NH2 ARG A 86 6.900 -22.326 -0.539 1.00 0.00 N ATOM 0 H ARG A 86 9.756 -15.020 -2.022 1.00 0.00 H new ATOM 0 HA ARG A 86 7.507 -15.453 -0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.694 -16.973 -2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.772 -17.412 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.249 -18.787 0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.973 -17.590 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.081 -18.605 -1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.609 -18.541 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 86 7.897 -20.794 -2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.721 -19.441 0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.433 -21.006 0.991 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.518 -22.779 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.442 -22.879 0.185 1.00 0.00 H new ATOM 1186 N LEU A 87 8.566 -14.769 1.849 1.00 0.00 N ATOM 1187 CA LEU A 87 8.999 -14.634 3.239 1.00 0.00 C ATOM 1188 C LEU A 87 7.809 -14.676 4.203 1.00 0.00 C ATOM 1189 O LEU A 87 7.287 -13.636 4.613 1.00 0.00 O ATOM 1190 CB LEU A 87 9.788 -13.331 3.418 1.00 0.00 C ATOM 1191 CG LEU A 87 11.260 -13.510 3.794 1.00 0.00 C ATOM 1192 CD1 LEU A 87 12.124 -12.502 3.058 1.00 0.00 C ATOM 1193 CD2 LEU A 87 11.446 -13.372 5.296 1.00 0.00 C ATOM 0 H LEU A 87 7.810 -14.138 1.582 1.00 0.00 H new ATOM 0 HA LEU A 87 9.646 -15.479 3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.733 -12.761 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.302 -12.733 4.189 1.00 0.00 H new ATOM 0 HG LEU A 87 11.571 -14.512 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.168 -12.644 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.014 -12.645 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.812 -11.492 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.499 -13.502 5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.117 -12.383 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.855 -14.132 5.807 1.00 0.00 H new ATOM 1205 N SER A 88 7.391 -15.886 4.563 1.00 0.00 N ATOM 1206 CA SER A 88 6.267 -16.073 5.483 1.00 0.00 C ATOM 1207 C SER A 88 6.751 -16.583 6.841 1.00 0.00 C ATOM 1208 O SER A 88 7.312 -17.683 6.942 1.00 0.00 O ATOM 1209 CB SER A 88 5.243 -17.045 4.891 1.00 0.00 C ATOM 1210 OG SER A 88 4.769 -16.590 3.632 1.00 0.00 O ATOM 0 H SER A 88 7.812 -16.754 4.233 1.00 0.00 H new ATOM 0 HA SER A 88 5.789 -15.104 5.629 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.696 -18.030 4.777 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.405 -17.157 5.579 1.00 0.00 H new ATOM 0 HG SER A 88 4.118 -17.231 3.277 1.00 0.00 H new ATOM 1216 N ARG A 89 6.531 -15.780 7.878 1.00 0.00 N ATOM 1217 CA ARG A 89 6.939 -16.134 9.237 1.00 0.00 C ATOM 1218 C ARG A 89 6.263 -15.228 10.266 1.00 0.00 C ATOM 1219 O ARG A 89 6.111 -14.017 9.988 1.00 0.00 O ATOM 1220 CB ARG A 89 8.462 -16.039 9.377 1.00 0.00 C ATOM 1221 CG ARG A 89 9.133 -17.374 9.663 1.00 0.00 C ATOM 1222 CD ARG A 89 9.984 -17.833 8.490 1.00 0.00 C ATOM 1223 NE ARG A 89 10.261 -19.271 8.551 1.00 0.00 N ATOM 1224 CZ ARG A 89 9.445 -20.214 8.094 1.00 0.00 C ATOM 1225 NH1 ARG A 89 8.294 -19.894 7.532 1.00 0.00 N ATOM 1226 NH2 ARG A 89 9.785 -21.483 8.201 1.00 0.00 N ATOM 0 H ARG A 89 6.069 -14.873 7.803 1.00 0.00 H new ATOM 0 HA ARG A 89 6.627 -17.161 9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.877 -15.623 8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 89 8.702 -15.342 10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.756 -17.286 10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.373 -18.125 9.879 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.472 -17.600 7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.924 -17.281 8.484 1.00 0.00 H new ATOM 0 HE ARG A 89 11.141 -19.568 8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.024 -18.914 7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.675 -20.626 7.184 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.673 -21.738 8.634 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.160 -22.210 7.851 1.00 0.00 H new TER 1240 ARG A 89