USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 219 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 112 THR OG1 : rot -54:sc= 0.843 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0.657 USER MOD Set 2.1: A 59 ASN : amide:sc= 0.72 K(o=1.6,f=-6.7!) USER MOD Set 2.2: A 109 LYS NZ :NH3+ -171:sc= 0.848 (180deg=0) USER MOD Set 3.1: A 56 SER OG : rot -0:sc= -0.436 USER MOD Set 3.2: A 60 MET CE :methyl 180:sc= -2.64 (180deg=-2.4) USER MOD Set 4.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 16 THR OG1 : rot 125:sc= 0.735 USER MOD Set 5.1: A 1 ARG N :NH3+ 144:sc= 0.00313 (180deg=0) USER MOD Set 5.2: A 121 ASN : amide:sc= 0.00238 X(o=0.0055,f=-0.35) USER MOD Single : A 2 SER OG : rot 174:sc= 0.0945 USER MOD Single : A 4 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0727) USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= -0.0793 (180deg=-0.601) USER MOD Single : A 17 MET CE :methyl 162:sc= -0.333 (180deg=-1.07) USER MOD Single : A 23 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.48) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.00383 K(o=0.0038,f=-1.7!) USER MOD Single : A 32 ASN : amide:sc= 0.16 K(o=0.16,f=-5.9!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc=-0.00471 (180deg=-0.15) USER MOD Single : A 47 GLN : amide:sc= 0.432 X(o=0.43,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 62 ASN : amide:sc= -0.288 K(o=-0.29,f=-6.2!) USER MOD Single : A 63 MET CE :methyl -174:sc=-0.00419 (180deg=-0.0733) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 5:sc= 0.897 USER MOD Single : A 78 MET CE :methyl -123:sc= -0.0104 (180deg=-0.207) USER MOD Single : A 79 SER OG : rot -79:sc= 1.19 USER MOD Single : A 85 MET CE :methyl -177:sc= -2.13 (180deg=-2.17) USER MOD Single : A 87 THR OG1 : rot -102:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -147:sc= 0.414 (180deg=0.0637) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.17) USER MOD Single : A 94 ASN : amide:sc= 0.814 K(o=0.81,f=-4.9!) USER MOD Single : A 100 GLN : amide:sc= -0.892 K(o=-0.89,f=-2.8!) USER MOD Single : A 104 SER OG : rot -110:sc= 0.0674 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -154:sc= -0.0759 (180deg=-0.986) USER MOD Single : A 122 LYS NZ :NH3+ 168:sc= -0.0025 (180deg=-0.149) USER MOD Single : A 126 LYS NZ :NH3+ 158:sc= 0.699 (180deg=0.452) USER MOD Single : A 129 MET CE :methyl 129:sc= -0.0792 (180deg=-0.623) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -11.282 4.345 -9.134 1.00 0.00 N ATOM 2 CA ARG A 1 -11.216 4.320 -10.608 1.00 0.00 C ATOM 3 C ARG A 1 -11.155 2.900 -11.216 1.00 0.00 C ATOM 4 O ARG A 1 -10.246 2.122 -10.907 1.00 0.00 O ATOM 5 CB ARG A 1 -10.007 5.144 -11.065 1.00 0.00 C ATOM 6 CG ARG A 1 -9.940 5.341 -12.574 1.00 0.00 C ATOM 7 CD ARG A 1 -8.627 6.014 -12.985 1.00 0.00 C ATOM 8 NE ARG A 1 -8.601 6.195 -14.447 1.00 0.00 N ATOM 9 CZ ARG A 1 -7.884 5.487 -15.318 1.00 0.00 C ATOM 10 NH1 ARG A 1 -7.240 4.378 -14.992 1.00 0.00 N ATOM 11 NH2 ARG A 1 -7.931 5.782 -16.610 1.00 0.00 N ATOM 0 H1 ARG A 1 -10.740 5.157 -8.776 1.00 0.00 H new ATOM 0 H2 ARG A 1 -12.274 4.430 -8.832 1.00 0.00 H new ATOM 0 H3 ARG A 1 -10.879 3.465 -8.753 1.00 0.00 H new ATOM 0 HA ARG A 1 -12.147 4.753 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -10.039 6.120 -10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -9.094 4.651 -10.730 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -10.030 4.377 -13.074 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -10.782 5.950 -12.902 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.530 6.979 -12.487 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -7.780 5.405 -12.669 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.190 6.935 -14.830 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -7.279 4.028 -14.035 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -6.705 3.873 -15.698 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -8.516 6.551 -16.937 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -7.382 5.240 -17.277 1.00 0.00 H new ATOM 20 N SER A 2 -12.185 2.595 -12.003 1.00 0.00 N ATOM 21 CA SER A 2 -12.417 1.321 -12.749 1.00 0.00 C ATOM 22 C SER A 2 -12.567 0.014 -11.954 1.00 0.00 C ATOM 23 O SER A 2 -13.279 -0.911 -12.340 1.00 0.00 O ATOM 24 CB SER A 2 -11.366 1.116 -13.840 1.00 0.00 C ATOM 25 OG SER A 2 -11.371 2.223 -14.748 1.00 0.00 O ATOM 0 H SER A 2 -12.940 3.263 -12.159 1.00 0.00 H new ATOM 0 HA SER A 2 -13.414 1.497 -13.154 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.379 1.011 -13.389 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.569 0.192 -14.381 1.00 0.00 H new ATOM 0 HG SER A 2 -10.629 2.130 -15.382 1.00 0.00 H new ATOM 28 N ASP A 3 -11.887 -0.016 -10.829 1.00 0.00 N ATOM 29 CA ASP A 3 -11.831 -1.133 -9.874 1.00 0.00 C ATOM 30 C ASP A 3 -12.492 -0.779 -8.538 1.00 0.00 C ATOM 31 O ASP A 3 -12.523 0.394 -8.148 1.00 0.00 O ATOM 32 CB ASP A 3 -10.365 -1.507 -9.640 1.00 0.00 C ATOM 33 CG ASP A 3 -9.666 -2.018 -10.903 1.00 0.00 C ATOM 34 OD1 ASP A 3 -9.142 -1.168 -11.646 1.00 0.00 O ATOM 35 OD2 ASP A 3 -9.672 -3.258 -11.082 1.00 0.00 O ATOM 0 H ASP A 3 -11.322 0.777 -10.527 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.381 -1.974 -10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.830 -0.635 -9.263 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.311 -2.273 -8.867 1.00 0.00 H new ATOM 37 N LYS A 4 -13.212 -1.761 -8.030 1.00 0.00 N ATOM 38 CA LYS A 4 -13.906 -1.715 -6.721 1.00 0.00 C ATOM 39 C LYS A 4 -13.661 -2.985 -5.887 1.00 0.00 C ATOM 40 O LYS A 4 -13.151 -2.924 -4.779 1.00 0.00 O ATOM 41 CB LYS A 4 -15.402 -1.424 -6.842 1.00 0.00 C ATOM 42 CG LYS A 4 -15.681 0.064 -7.060 1.00 0.00 C ATOM 43 CD LYS A 4 -17.177 0.347 -7.106 1.00 0.00 C ATOM 44 CE LYS A 4 -17.487 1.837 -7.285 1.00 0.00 C ATOM 45 NZ LYS A 4 -17.113 2.607 -6.089 1.00 0.00 N ATOM 0 H LYS A 4 -13.345 -2.647 -8.518 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.462 -0.873 -6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.816 -1.996 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.911 -1.760 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.224 0.643 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.218 0.390 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.625 -0.215 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.639 -0.009 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.948 2.221 -8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.550 1.968 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.456 3.584 -6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.540 2.170 -5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.078 2.612 -5.989 1.00 0.00 H new ATOM 50 N GLU A 5 -13.914 -4.135 -6.522 1.00 0.00 N ATOM 51 CA GLU A 5 -13.707 -5.457 -5.888 1.00 0.00 C ATOM 52 C GLU A 5 -12.227 -5.882 -6.051 1.00 0.00 C ATOM 53 O GLU A 5 -11.887 -6.832 -6.759 1.00 0.00 O ATOM 54 CB GLU A 5 -14.690 -6.432 -6.560 1.00 0.00 C ATOM 55 CG GLU A 5 -14.963 -7.707 -5.757 1.00 0.00 C ATOM 56 CD GLU A 5 -15.761 -7.490 -4.455 1.00 0.00 C ATOM 57 OE1 GLU A 5 -16.492 -6.475 -4.376 1.00 0.00 O ATOM 58 OE2 GLU A 5 -15.730 -8.423 -3.628 1.00 0.00 O ATOM 0 H GLU A 5 -14.264 -4.184 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.903 -5.440 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.635 -5.916 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.296 -6.710 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.508 -8.408 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.010 -8.175 -5.509 1.00 0.00 H new ATOM 60 N LEU A 6 -11.356 -5.056 -5.487 1.00 0.00 N ATOM 61 CA LEU A 6 -9.897 -5.239 -5.525 1.00 0.00 C ATOM 62 C LEU A 6 -9.372 -5.637 -4.136 1.00 0.00 C ATOM 63 O LEU A 6 -9.787 -5.079 -3.125 1.00 0.00 O ATOM 64 CB LEU A 6 -9.266 -3.916 -5.997 1.00 0.00 C ATOM 65 CG LEU A 6 -7.861 -4.079 -6.618 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.532 -2.868 -7.487 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.758 -4.260 -5.564 1.00 0.00 C ATOM 0 H LEU A 6 -11.642 -4.220 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.631 -6.041 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.925 -3.452 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.201 -3.233 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.889 -4.987 -7.221 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.540 -2.991 -7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.269 -2.782 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.552 -1.966 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.794 -4.369 -6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.732 -3.388 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.964 -5.151 -4.971 1.00 0.00 H new ATOM 69 N LYS A 7 -8.529 -6.663 -4.150 1.00 0.00 N ATOM 70 CA LYS A 7 -7.868 -7.188 -2.932 1.00 0.00 C ATOM 71 C LYS A 7 -6.656 -6.365 -2.490 1.00 0.00 C ATOM 72 O LYS A 7 -5.612 -6.346 -3.144 1.00 0.00 O ATOM 73 CB LYS A 7 -7.489 -8.661 -3.087 1.00 0.00 C ATOM 74 CG LYS A 7 -8.682 -9.578 -2.843 1.00 0.00 C ATOM 75 CD LYS A 7 -8.205 -11.023 -2.635 1.00 0.00 C ATOM 76 CE LYS A 7 -9.306 -11.903 -2.039 1.00 0.00 C ATOM 77 NZ LYS A 7 -9.635 -11.439 -0.688 1.00 0.00 N ATOM 0 H LYS A 7 -8.275 -7.164 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.610 -7.099 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.097 -8.833 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.691 -8.907 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.236 -9.241 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.366 -9.531 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.882 -11.440 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.338 -11.028 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.193 -11.869 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.977 -12.942 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.048 -12.222 -0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.771 -11.107 -0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.320 -10.658 -0.746 1.00 0.00 H new ATOM 82 N PHE A 8 -6.897 -5.643 -1.407 1.00 0.00 N ATOM 83 CA PHE A 8 -5.933 -4.747 -0.745 1.00 0.00 C ATOM 84 C PHE A 8 -5.362 -5.341 0.535 1.00 0.00 C ATOM 85 O PHE A 8 -6.060 -5.999 1.314 1.00 0.00 O ATOM 86 CB PHE A 8 -6.610 -3.457 -0.293 1.00 0.00 C ATOM 87 CG PHE A 8 -6.919 -2.487 -1.418 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.067 -2.677 -2.204 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.077 -1.367 -1.609 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.378 -1.747 -3.211 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.386 -0.430 -2.610 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.534 -0.630 -3.416 1.00 0.00 C ATOM 0 H PHE A 8 -7.803 -5.658 -0.938 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.152 -4.582 -1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.538 -3.708 0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.969 -2.959 0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.706 -3.531 -2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.202 -1.233 -0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.256 -1.884 -3.825 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.755 0.433 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.768 0.079 -4.197 1.00 0.00 H new ATOM 94 N LEU A 9 -4.062 -5.132 0.716 1.00 0.00 N ATOM 95 CA LEU A 9 -3.415 -5.537 1.967 1.00 0.00 C ATOM 96 C LEU A 9 -2.902 -4.276 2.684 1.00 0.00 C ATOM 97 O LEU A 9 -1.981 -3.603 2.234 1.00 0.00 O ATOM 98 CB LEU A 9 -2.251 -6.482 1.746 1.00 0.00 C ATOM 99 CG LEU A 9 -2.193 -7.559 2.846 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.800 -8.152 2.788 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.417 -7.109 4.284 1.00 0.00 C ATOM 0 H LEU A 9 -3.444 -4.695 0.032 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.156 -6.067 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.346 -6.959 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.318 -5.918 1.735 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.019 -8.237 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.702 -8.925 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.631 -8.589 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.063 -7.369 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.348 -7.970 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.658 -6.376 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.405 -6.659 4.374 1.00 0.00 H new ATOM 103 N VAL A 10 -3.618 -3.974 3.757 1.00 0.00 N ATOM 104 CA VAL A 10 -3.314 -2.841 4.645 1.00 0.00 C ATOM 105 C VAL A 10 -2.275 -3.323 5.672 1.00 0.00 C ATOM 106 O VAL A 10 -2.576 -4.047 6.620 1.00 0.00 O ATOM 107 CB VAL A 10 -4.633 -2.321 5.249 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.441 -1.377 6.439 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.430 -1.588 4.165 1.00 0.00 C ATOM 0 H VAL A 10 -4.437 -4.509 4.046 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.873 -1.991 4.125 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.166 -3.196 5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.414 -1.054 6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.906 -1.897 7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.866 -0.506 6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.364 -1.218 4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.845 -0.749 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.648 -2.275 3.347 1.00 0.00 H new ATOM 111 N VAL A 11 -1.035 -2.972 5.362 1.00 0.00 N ATOM 112 CA VAL A 11 0.136 -3.350 6.173 1.00 0.00 C ATOM 113 C VAL A 11 0.551 -2.140 7.015 1.00 0.00 C ATOM 114 O VAL A 11 1.336 -1.283 6.615 1.00 0.00 O ATOM 115 CB VAL A 11 1.302 -3.862 5.307 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.295 -4.611 6.209 1.00 0.00 C ATOM 117 CG2 VAL A 11 0.869 -4.808 4.185 1.00 0.00 C ATOM 0 H VAL A 11 -0.802 -2.415 4.540 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.135 -4.179 6.826 1.00 0.00 H new ATOM 0 HB VAL A 11 1.748 -2.986 4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.126 -4.979 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.673 -3.934 6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.791 -5.452 6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.745 -5.126 3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.378 -5.681 4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.176 -4.292 3.521 1.00 0.00 H new ATOM 119 N ASP A 12 -0.026 -2.096 8.213 1.00 0.00 N ATOM 120 CA ASP A 12 0.224 -0.980 9.153 1.00 0.00 C ATOM 121 C ASP A 12 0.449 -1.447 10.597 1.00 0.00 C ATOM 122 O ASP A 12 -0.475 -1.841 11.300 1.00 0.00 O ATOM 123 CB ASP A 12 -0.900 0.059 9.063 1.00 0.00 C ATOM 124 CG ASP A 12 -0.975 0.707 7.677 1.00 0.00 C ATOM 125 OD1 ASP A 12 -0.268 1.716 7.483 1.00 0.00 O ATOM 126 OD2 ASP A 12 -1.700 0.157 6.822 1.00 0.00 O ATOM 0 H ASP A 12 -0.666 -2.808 8.564 1.00 0.00 H new ATOM 0 HA ASP A 12 1.158 -0.509 8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.853 -0.418 9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.741 0.831 9.816 1.00 0.00 H new ATOM 128 N ASP A 13 1.679 -1.216 11.046 1.00 0.00 N ATOM 129 CA ASP A 13 2.171 -1.555 12.403 1.00 0.00 C ATOM 130 C ASP A 13 1.315 -1.024 13.568 1.00 0.00 C ATOM 131 O ASP A 13 1.223 -1.666 14.618 1.00 0.00 O ATOM 132 CB ASP A 13 3.636 -1.150 12.567 1.00 0.00 C ATOM 133 CG ASP A 13 3.910 0.335 12.316 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.798 0.726 11.133 1.00 0.00 O ATOM 135 OD2 ASP A 13 4.093 1.059 13.312 1.00 0.00 O ATOM 0 H ASP A 13 2.393 -0.774 10.467 1.00 0.00 H new ATOM 0 HA ASP A 13 2.080 -2.639 12.470 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.960 -1.402 13.577 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.243 -1.741 11.881 1.00 0.00 H new ATOM 137 N PHE A 14 0.629 0.090 13.329 1.00 0.00 N ATOM 138 CA PHE A 14 -0.246 0.714 14.335 1.00 0.00 C ATOM 139 C PHE A 14 -1.662 0.192 14.092 1.00 0.00 C ATOM 140 O PHE A 14 -2.251 0.430 13.037 1.00 0.00 O ATOM 141 CB PHE A 14 -0.206 2.238 14.195 1.00 0.00 C ATOM 142 CG PHE A 14 -0.815 3.018 15.371 1.00 0.00 C ATOM 143 CD1 PHE A 14 -0.671 2.560 16.712 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.375 4.283 15.103 1.00 0.00 C ATOM 145 CE1 PHE A 14 -1.074 3.392 17.782 1.00 0.00 C ATOM 146 CE2 PHE A 14 -1.774 5.120 16.166 1.00 0.00 C ATOM 147 CZ PHE A 14 -1.626 4.667 17.499 1.00 0.00 C ATOM 0 H PHE A 14 0.659 0.589 12.440 1.00 0.00 H new ATOM 0 HA PHE A 14 0.084 0.465 15.344 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.831 2.549 14.072 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.733 2.517 13.283 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.256 1.583 16.910 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.499 4.612 14.082 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.963 3.060 18.804 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.188 6.097 15.965 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.939 5.303 18.314 1.00 0.00 H new ATOM 149 N SER A 15 -2.142 -0.574 15.060 1.00 0.00 N ATOM 150 CA SER A 15 -3.488 -1.178 15.064 1.00 0.00 C ATOM 151 C SER A 15 -4.602 -0.202 14.660 1.00 0.00 C ATOM 152 O SER A 15 -5.309 -0.418 13.671 1.00 0.00 O ATOM 153 CB SER A 15 -3.771 -1.774 16.452 1.00 0.00 C ATOM 154 OG SER A 15 -3.477 -0.802 17.464 1.00 0.00 O ATOM 0 H SER A 15 -1.600 -0.806 15.892 1.00 0.00 H new ATOM 0 HA SER A 15 -3.491 -1.961 14.305 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.815 -2.081 16.521 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.166 -2.667 16.605 1.00 0.00 H new ATOM 0 HG SER A 15 -3.660 -1.184 18.348 1.00 0.00 H new ATOM 157 N THR A 16 -4.553 0.997 15.257 1.00 0.00 N ATOM 158 CA THR A 16 -5.498 2.096 14.961 1.00 0.00 C ATOM 159 C THR A 16 -5.418 2.500 13.480 1.00 0.00 C ATOM 160 O THR A 16 -6.429 2.454 12.785 1.00 0.00 O ATOM 161 CB THR A 16 -5.200 3.330 15.821 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.430 2.975 16.974 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.502 4.016 16.243 1.00 0.00 C ATOM 0 H THR A 16 -3.856 1.238 15.962 1.00 0.00 H new ATOM 0 HA THR A 16 -6.499 1.729 15.190 1.00 0.00 H new ATOM 0 HB THR A 16 -4.616 4.027 15.221 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.614 3.517 17.002 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.272 4.890 16.853 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.053 4.328 15.356 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.109 3.320 16.821 1.00 0.00 H new ATOM 166 N MET A 17 -4.193 2.696 12.977 1.00 0.00 N ATOM 167 CA MET A 17 -3.952 3.075 11.566 1.00 0.00 C ATOM 168 C MET A 17 -4.452 2.018 10.571 1.00 0.00 C ATOM 169 O MET A 17 -5.105 2.364 9.594 1.00 0.00 O ATOM 170 CB MET A 17 -2.473 3.365 11.317 1.00 0.00 C ATOM 171 CG MET A 17 -2.260 4.831 10.927 1.00 0.00 C ATOM 172 SD MET A 17 -3.055 5.320 9.349 1.00 0.00 S ATOM 173 CE MET A 17 -1.954 4.568 8.167 1.00 0.00 C ATOM 0 H MET A 17 -3.340 2.599 13.528 1.00 0.00 H new ATOM 0 HA MET A 17 -4.530 3.983 11.395 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.898 3.136 12.214 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.100 2.716 10.525 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.645 5.466 11.725 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.189 5.023 10.855 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.453 4.495 7.201 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.056 5.178 8.067 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.679 3.571 8.510 1.00 0.00 H new ATOM 175 N ARG A 18 -4.240 0.748 10.925 1.00 0.00 N ATOM 176 CA ARG A 18 -4.680 -0.415 10.128 1.00 0.00 C ATOM 177 C ARG A 18 -6.201 -0.347 9.870 1.00 0.00 C ATOM 178 O ARG A 18 -6.628 -0.176 8.725 1.00 0.00 O ATOM 179 CB ARG A 18 -4.321 -1.688 10.903 1.00 0.00 C ATOM 180 CG ARG A 18 -3.584 -2.717 10.039 1.00 0.00 C ATOM 181 CD ARG A 18 -3.310 -4.015 10.803 1.00 0.00 C ATOM 182 NE ARG A 18 -2.417 -3.787 11.954 1.00 0.00 N ATOM 183 CZ ARG A 18 -2.325 -4.545 13.051 1.00 0.00 C ATOM 184 NH1 ARG A 18 -2.967 -5.708 13.176 1.00 0.00 N ATOM 185 NH2 ARG A 18 -1.492 -4.179 14.010 1.00 0.00 N ATOM 0 H ARG A 18 -3.753 0.488 11.783 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.180 -0.416 9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.698 -1.425 11.758 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.232 -2.137 11.298 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.177 -2.937 9.151 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.641 -2.293 9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.252 -4.439 11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.860 -4.746 10.131 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.809 -2.969 11.908 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.556 -6.050 12.416 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.869 -6.255 14.031 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.934 -3.332 13.905 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.407 -4.744 14.855 1.00 0.00 H new ATOM 192 N ARG A 19 -6.950 -0.213 10.970 1.00 0.00 N ATOM 193 CA ARG A 19 -8.419 -0.083 10.914 1.00 0.00 C ATOM 194 C ARG A 19 -8.905 1.154 10.139 1.00 0.00 C ATOM 195 O ARG A 19 -9.840 1.048 9.352 1.00 0.00 O ATOM 196 CB ARG A 19 -9.065 -0.111 12.304 1.00 0.00 C ATOM 197 CG ARG A 19 -9.396 -1.542 12.732 1.00 0.00 C ATOM 198 CD ARG A 19 -8.208 -2.313 13.315 1.00 0.00 C ATOM 199 NE ARG A 19 -8.001 -1.897 14.711 1.00 0.00 N ATOM 200 CZ ARG A 19 -7.247 -2.522 15.620 1.00 0.00 C ATOM 201 NH1 ARG A 19 -6.477 -3.557 15.311 1.00 0.00 N ATOM 202 NH2 ARG A 19 -7.206 -2.065 16.862 1.00 0.00 N ATOM 0 H ARG A 19 -6.566 -0.191 11.915 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.744 -0.962 10.358 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.390 0.342 13.031 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.975 0.489 12.297 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.195 -1.512 13.473 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.781 -2.087 11.870 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.396 -3.386 13.266 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.310 -2.120 12.728 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.480 -1.049 15.014 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.447 -3.902 14.351 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.915 -4.008 16.033 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.748 -1.240 17.120 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.632 -2.538 17.561 1.00 0.00 H new ATOM 209 N ILE A 20 -8.220 2.285 10.319 1.00 0.00 N ATOM 210 CA ILE A 20 -8.558 3.548 9.616 1.00 0.00 C ATOM 211 C ILE A 20 -8.553 3.319 8.090 1.00 0.00 C ATOM 212 O ILE A 20 -9.625 3.364 7.477 1.00 0.00 O ATOM 213 CB ILE A 20 -7.629 4.688 10.078 1.00 0.00 C ATOM 214 CG1 ILE A 20 -7.906 5.012 11.561 1.00 0.00 C ATOM 215 CG2 ILE A 20 -7.779 5.959 9.217 1.00 0.00 C ATOM 216 CD1 ILE A 20 -6.803 5.811 12.258 1.00 0.00 C ATOM 0 H ILE A 20 -7.421 2.363 10.948 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.568 3.863 9.877 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.602 4.344 9.957 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.839 5.572 11.628 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.055 4.077 12.101 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.102 6.730 9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.535 5.727 8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.806 6.319 9.276 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.085 5.992 13.295 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.871 5.247 12.228 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.667 6.765 11.748 1.00 0.00 H new ATOM 218 N VAL A 21 -7.428 2.841 7.568 1.00 0.00 N ATOM 219 CA VAL A 21 -7.259 2.570 6.115 1.00 0.00 C ATOM 220 C VAL A 21 -8.314 1.575 5.602 1.00 0.00 C ATOM 221 O VAL A 21 -8.983 1.871 4.610 1.00 0.00 O ATOM 222 CB VAL A 21 -5.851 2.069 5.757 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.613 2.219 4.243 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.716 2.816 6.463 1.00 0.00 C ATOM 0 H VAL A 21 -6.601 2.626 8.125 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.401 3.529 5.617 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.828 1.030 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.613 1.862 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.353 1.633 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.704 3.268 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.758 2.399 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.755 3.872 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.826 2.710 7.542 1.00 0.00 H new ATOM 226 N ARG A 22 -8.536 0.497 6.355 1.00 0.00 N ATOM 227 CA ARG A 22 -9.536 -0.539 6.042 1.00 0.00 C ATOM 228 C ARG A 22 -10.925 0.077 5.775 1.00 0.00 C ATOM 229 O ARG A 22 -11.434 0.015 4.653 1.00 0.00 O ATOM 230 CB ARG A 22 -9.593 -1.517 7.228 1.00 0.00 C ATOM 231 CG ARG A 22 -10.484 -2.736 6.970 1.00 0.00 C ATOM 232 CD ARG A 22 -10.819 -3.459 8.270 1.00 0.00 C ATOM 233 NE ARG A 22 -11.772 -2.668 9.069 1.00 0.00 N ATOM 234 CZ ARG A 22 -12.046 -2.827 10.359 1.00 0.00 C ATOM 235 NH1 ARG A 22 -11.459 -3.762 11.102 1.00 0.00 N ATOM 236 NH2 ARG A 22 -12.975 -2.066 10.927 1.00 0.00 N ATOM 0 H ARG A 22 -8.020 0.311 7.215 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.245 -1.063 5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.583 -1.857 7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.959 -0.988 8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.404 -2.420 6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.979 -3.421 6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.245 -4.438 8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.908 -3.630 8.844 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.271 -1.924 8.582 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.771 -4.389 10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.697 -3.852 12.090 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.471 -1.367 10.373 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.193 -2.180 11.917 1.00 0.00 H new ATOM 243 N ASN A 23 -11.418 0.830 6.757 1.00 0.00 N ATOM 244 CA ASN A 23 -12.723 1.524 6.680 1.00 0.00 C ATOM 245 C ASN A 23 -12.797 2.524 5.518 1.00 0.00 C ATOM 246 O ASN A 23 -13.770 2.532 4.762 1.00 0.00 O ATOM 247 CB ASN A 23 -13.082 2.194 8.008 1.00 0.00 C ATOM 248 CG ASN A 23 -13.454 1.166 9.083 1.00 0.00 C ATOM 249 OD1 ASN A 23 -14.473 0.496 9.047 1.00 0.00 O ATOM 250 ND2 ASN A 23 -12.562 0.942 10.020 1.00 0.00 N ATOM 0 H ASN A 23 -10.928 0.983 7.638 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.467 0.753 6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.238 2.792 8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.916 2.879 7.856 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.723 0.211 10.713 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.708 1.499 10.055 1.00 0.00 H new ATOM 254 N LEU A 24 -11.716 3.278 5.315 1.00 0.00 N ATOM 255 CA LEU A 24 -11.599 4.271 4.224 1.00 0.00 C ATOM 256 C LEU A 24 -11.820 3.622 2.849 1.00 0.00 C ATOM 257 O LEU A 24 -12.696 4.023 2.092 1.00 0.00 O ATOM 258 CB LEU A 24 -10.213 4.929 4.239 1.00 0.00 C ATOM 259 CG LEU A 24 -9.959 5.825 5.456 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.570 6.455 5.374 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.996 6.942 5.637 1.00 0.00 C ATOM 0 H LEU A 24 -10.885 3.223 5.903 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.370 5.024 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.452 4.149 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.095 5.523 3.333 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.040 5.167 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.406 7.088 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.815 5.669 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.497 7.058 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.746 7.531 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.994 7.586 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.986 6.503 5.763 1.00 0.00 H new ATOM 263 N LEU A 25 -11.051 2.562 2.588 1.00 0.00 N ATOM 264 CA LEU A 25 -11.138 1.760 1.353 1.00 0.00 C ATOM 265 C LEU A 25 -12.559 1.247 1.100 1.00 0.00 C ATOM 266 O LEU A 25 -13.142 1.498 0.044 1.00 0.00 O ATOM 267 CB LEU A 25 -10.194 0.554 1.392 1.00 0.00 C ATOM 268 CG LEU A 25 -8.755 1.033 1.340 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.792 -0.085 1.753 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.359 1.555 -0.049 1.00 0.00 C ATOM 0 H LEU A 25 -10.337 2.227 3.235 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.845 2.430 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.363 -0.024 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.398 -0.108 0.551 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.682 1.861 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.767 0.283 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.019 -0.403 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.904 -0.931 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.320 1.885 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.474 0.758 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.001 2.393 -0.319 1.00 0.00 H new ATOM 272 N LYS A 26 -13.140 0.692 2.157 1.00 0.00 N ATOM 273 CA LYS A 26 -14.528 0.169 2.152 1.00 0.00 C ATOM 274 C LYS A 26 -15.546 1.252 1.766 1.00 0.00 C ATOM 275 O LYS A 26 -16.288 1.069 0.794 1.00 0.00 O ATOM 276 CB LYS A 26 -14.864 -0.480 3.489 1.00 0.00 C ATOM 277 CG LYS A 26 -14.084 -1.793 3.644 1.00 0.00 C ATOM 278 CD LYS A 26 -14.425 -2.497 4.954 1.00 0.00 C ATOM 279 CE LYS A 26 -13.729 -3.863 5.002 1.00 0.00 C ATOM 280 NZ LYS A 26 -14.078 -4.538 6.262 1.00 0.00 N ATOM 0 H LYS A 26 -12.669 0.585 3.055 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.592 -0.602 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.616 0.199 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.935 -0.674 3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.310 -2.452 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.014 -1.588 3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.108 -1.886 5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.504 -2.624 5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.037 -4.472 4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.649 -3.737 4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.609 -5.465 6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.764 -3.957 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.109 -4.669 6.312 1.00 0.00 H new ATOM 285 N GLU A 27 -15.374 2.440 2.343 1.00 0.00 N ATOM 286 CA GLU A 27 -16.193 3.650 2.084 1.00 0.00 C ATOM 287 C GLU A 27 -16.161 4.068 0.599 1.00 0.00 C ATOM 288 O GLU A 27 -17.161 4.517 0.060 1.00 0.00 O ATOM 289 CB GLU A 27 -15.603 4.762 2.953 1.00 0.00 C ATOM 290 CG GLU A 27 -16.069 4.722 4.406 1.00 0.00 C ATOM 291 CD GLU A 27 -15.358 5.805 5.229 1.00 0.00 C ATOM 292 OE1 GLU A 27 -15.848 6.957 5.200 1.00 0.00 O ATOM 293 OE2 GLU A 27 -14.345 5.456 5.882 1.00 0.00 O ATOM 0 H GLU A 27 -14.638 2.605 3.030 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.238 3.451 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.516 4.691 2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.870 5.727 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.148 4.871 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.865 3.740 4.833 1.00 0.00 H new ATOM 295 N LEU A 28 -14.978 3.921 0.002 1.00 0.00 N ATOM 296 CA LEU A 28 -14.706 4.230 -1.427 1.00 0.00 C ATOM 297 C LEU A 28 -15.259 3.167 -2.401 1.00 0.00 C ATOM 298 O LEU A 28 -15.297 3.398 -3.614 1.00 0.00 O ATOM 299 CB LEU A 28 -13.191 4.313 -1.637 1.00 0.00 C ATOM 300 CG LEU A 28 -12.477 5.368 -0.780 1.00 0.00 C ATOM 301 CD1 LEU A 28 -10.962 5.163 -0.855 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.861 6.798 -1.158 1.00 0.00 C ATOM 0 H LEU A 28 -14.156 3.577 0.498 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.208 5.173 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.755 3.337 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.996 4.527 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.807 5.230 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.462 5.915 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.711 4.169 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.633 5.258 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.325 7.500 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.598 6.982 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.934 6.934 -1.026 1.00 0.00 H new ATOM 304 N GLY A 29 -15.577 1.983 -1.879 1.00 0.00 N ATOM 305 CA GLY A 29 -16.086 0.830 -2.653 1.00 0.00 C ATOM 306 C GLY A 29 -15.150 -0.393 -2.656 1.00 0.00 C ATOM 307 O GLY A 29 -15.567 -1.488 -3.038 1.00 0.00 O ATOM 0 H GLY A 29 -15.489 1.785 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.053 0.532 -2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.257 1.145 -3.682 1.00 0.00 H new ATOM 309 N PHE A 30 -13.951 -0.220 -2.092 1.00 0.00 N ATOM 310 CA PHE A 30 -12.914 -1.270 -2.030 1.00 0.00 C ATOM 311 C PHE A 30 -13.051 -2.083 -0.737 1.00 0.00 C ATOM 312 O PHE A 30 -12.382 -1.863 0.274 1.00 0.00 O ATOM 313 CB PHE A 30 -11.517 -0.640 -2.147 1.00 0.00 C ATOM 314 CG PHE A 30 -11.341 0.248 -3.382 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.101 -0.346 -4.644 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.264 1.650 -3.214 1.00 0.00 C ATOM 317 CE1 PHE A 30 -10.769 0.464 -5.742 1.00 0.00 C ATOM 318 CE2 PHE A 30 -10.942 2.464 -4.315 1.00 0.00 C ATOM 319 CZ PHE A 30 -10.683 1.863 -5.572 1.00 0.00 C ATOM 0 H PHE A 30 -13.664 0.658 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.050 -1.953 -2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.320 -0.047 -1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.771 -1.435 -2.173 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.173 -1.417 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.451 2.093 -2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.581 0.020 -6.709 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.893 3.537 -4.203 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.416 2.485 -6.413 1.00 0.00 H new ATOM 321 N ASN A 31 -13.996 -3.009 -0.827 1.00 0.00 N ATOM 322 CA ASN A 31 -14.400 -3.921 0.256 1.00 0.00 C ATOM 323 C ASN A 31 -13.473 -5.112 0.560 1.00 0.00 C ATOM 324 O ASN A 31 -13.528 -5.655 1.670 1.00 0.00 O ATOM 325 CB ASN A 31 -15.834 -4.389 0.000 1.00 0.00 C ATOM 326 CG ASN A 31 -15.999 -5.099 -1.347 1.00 0.00 C ATOM 327 OD1 ASN A 31 -15.778 -6.283 -1.497 1.00 0.00 O ATOM 328 ND2 ASN A 31 -16.312 -4.352 -2.385 1.00 0.00 N ATOM 0 H ASN A 31 -14.527 -3.158 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.322 -3.327 1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.139 -5.064 0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.503 -3.529 0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.369 -4.768 -3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.498 -3.357 -2.260 1.00 0.00 H new ATOM 332 N ASN A 32 -12.573 -5.464 -0.355 1.00 0.00 N ATOM 333 CA ASN A 32 -11.683 -6.619 -0.152 1.00 0.00 C ATOM 334 C ASN A 32 -10.348 -6.153 0.445 1.00 0.00 C ATOM 335 O ASN A 32 -9.422 -5.751 -0.251 1.00 0.00 O ATOM 336 CB ASN A 32 -11.464 -7.395 -1.455 1.00 0.00 C ATOM 337 CG ASN A 32 -12.770 -7.732 -2.175 1.00 0.00 C ATOM 338 OD1 ASN A 32 -13.044 -7.241 -3.260 1.00 0.00 O ATOM 339 ND2 ASN A 32 -13.609 -8.532 -1.555 1.00 0.00 N ATOM 0 H ASN A 32 -12.436 -4.975 -1.239 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.162 -7.301 0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.830 -6.808 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.927 -8.318 -1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.510 -8.754 -1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.359 -8.931 -0.650 1.00 0.00 H new ATOM 343 N VAL A 33 -10.336 -6.109 1.776 1.00 0.00 N ATOM 344 CA VAL A 33 -9.152 -5.643 2.530 1.00 0.00 C ATOM 345 C VAL A 33 -8.703 -6.659 3.593 1.00 0.00 C ATOM 346 O VAL A 33 -9.502 -7.145 4.393 1.00 0.00 O ATOM 347 CB VAL A 33 -9.455 -4.274 3.171 1.00 0.00 C ATOM 348 CG1 VAL A 33 -8.236 -3.709 3.905 1.00 0.00 C ATOM 349 CG2 VAL A 33 -9.900 -3.224 2.146 1.00 0.00 C ATOM 0 H VAL A 33 -11.124 -6.387 2.361 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.324 -5.540 1.829 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.268 -4.466 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.490 -2.744 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.935 -4.398 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.414 -3.583 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.099 -2.281 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.111 -3.079 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.806 -3.565 1.646 1.00 0.00 H new ATOM 351 N GLU A 34 -7.408 -6.972 3.551 1.00 0.00 N ATOM 352 CA GLU A 34 -6.733 -7.850 4.524 1.00 0.00 C ATOM 353 C GLU A 34 -5.817 -6.922 5.340 1.00 0.00 C ATOM 354 O GLU A 34 -5.333 -5.910 4.843 1.00 0.00 O ATOM 355 CB GLU A 34 -5.897 -8.895 3.768 1.00 0.00 C ATOM 356 CG GLU A 34 -5.428 -10.049 4.656 1.00 0.00 C ATOM 357 CD GLU A 34 -4.521 -11.046 3.918 1.00 0.00 C ATOM 358 OE1 GLU A 34 -3.540 -10.574 3.298 1.00 0.00 O ATOM 359 OE2 GLU A 34 -4.792 -12.258 4.037 1.00 0.00 O ATOM 0 H GLU A 34 -6.781 -6.619 2.828 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.435 -8.385 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.487 -9.296 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.027 -8.406 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.891 -9.645 5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.298 -10.578 5.045 1.00 0.00 H new ATOM 361 N GLU A 35 -5.523 -7.327 6.572 1.00 0.00 N ATOM 362 CA GLU A 35 -4.698 -6.512 7.474 1.00 0.00 C ATOM 363 C GLU A 35 -3.480 -7.243 8.047 1.00 0.00 C ATOM 364 O GLU A 35 -3.582 -8.385 8.489 1.00 0.00 O ATOM 365 CB GLU A 35 -5.553 -5.945 8.611 1.00 0.00 C ATOM 366 CG GLU A 35 -6.559 -4.886 8.136 1.00 0.00 C ATOM 367 CD GLU A 35 -7.375 -4.340 9.306 1.00 0.00 C ATOM 368 OE1 GLU A 35 -8.280 -5.075 9.763 1.00 0.00 O ATOM 369 OE2 GLU A 35 -7.070 -3.213 9.742 1.00 0.00 O ATOM 0 H GLU A 35 -5.840 -8.210 6.972 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.301 -5.703 6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.093 -6.760 9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.900 -5.505 9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.028 -4.070 7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.228 -5.322 7.394 1.00 0.00 H new ATOM 371 N ALA A 36 -2.322 -6.659 7.743 1.00 0.00 N ATOM 372 CA ALA A 36 -0.992 -7.109 8.209 1.00 0.00 C ATOM 373 C ALA A 36 -0.315 -5.990 9.011 1.00 0.00 C ATOM 374 O ALA A 36 -0.658 -4.815 8.879 1.00 0.00 O ATOM 375 CB ALA A 36 -0.126 -7.501 7.011 1.00 0.00 C ATOM 0 H ALA A 36 -2.272 -5.833 7.147 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.114 -7.979 8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.852 -7.831 7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.608 -8.311 6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.004 -6.640 6.353 1.00 0.00 H new ATOM 377 N GLU A 37 0.704 -6.350 9.793 1.00 0.00 N ATOM 378 CA GLU A 37 1.416 -5.346 10.616 1.00 0.00 C ATOM 379 C GLU A 37 2.812 -4.911 10.142 1.00 0.00 C ATOM 380 O GLU A 37 3.115 -3.723 10.077 1.00 0.00 O ATOM 381 CB GLU A 37 1.420 -5.732 12.101 1.00 0.00 C ATOM 382 CG GLU A 37 2.081 -7.077 12.409 1.00 0.00 C ATOM 383 CD GLU A 37 3.100 -6.930 13.546 1.00 0.00 C ATOM 384 OE1 GLU A 37 4.196 -6.412 13.244 1.00 0.00 O ATOM 385 OE2 GLU A 37 2.786 -7.395 14.661 1.00 0.00 O ATOM 0 H GLU A 37 1.056 -7.304 9.880 1.00 0.00 H new ATOM 0 HA GLU A 37 0.818 -4.446 10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.934 -4.953 12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.391 -5.758 12.459 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.321 -7.807 12.687 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.577 -7.458 11.516 1.00 0.00 H new ATOM 387 N ASP A 38 3.628 -5.879 9.718 1.00 0.00 N ATOM 388 CA ASP A 38 5.002 -5.620 9.259 1.00 0.00 C ATOM 389 C ASP A 38 5.288 -6.335 7.927 1.00 0.00 C ATOM 390 O ASP A 38 4.575 -7.284 7.589 1.00 0.00 O ATOM 391 CB ASP A 38 6.028 -5.964 10.345 1.00 0.00 C ATOM 392 CG ASP A 38 6.128 -7.434 10.769 1.00 0.00 C ATOM 393 OD1 ASP A 38 5.865 -8.317 9.913 1.00 0.00 O ATOM 394 OD2 ASP A 38 6.447 -7.677 11.953 1.00 0.00 O ATOM 0 H ASP A 38 3.360 -6.862 9.682 1.00 0.00 H new ATOM 0 HA ASP A 38 5.099 -4.551 9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.010 -5.645 9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.796 -5.371 11.230 1.00 0.00 H new ATOM 396 N GLY A 39 6.430 -5.995 7.331 1.00 0.00 N ATOM 397 CA GLY A 39 6.904 -6.548 6.052 1.00 0.00 C ATOM 398 C GLY A 39 6.824 -8.083 5.938 1.00 0.00 C ATOM 399 O GLY A 39 6.140 -8.600 5.062 1.00 0.00 O ATOM 0 H GLY A 39 7.072 -5.310 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.320 -6.108 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.939 -6.241 5.901 1.00 0.00 H new ATOM 401 N VAL A 40 7.407 -8.778 6.919 1.00 0.00 N ATOM 402 CA VAL A 40 7.399 -10.258 6.960 1.00 0.00 C ATOM 403 C VAL A 40 5.961 -10.818 6.918 1.00 0.00 C ATOM 404 O VAL A 40 5.586 -11.475 5.955 1.00 0.00 O ATOM 405 CB VAL A 40 8.182 -10.783 8.177 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.215 -12.316 8.192 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.636 -10.289 8.184 1.00 0.00 C ATOM 0 H VAL A 40 7.895 -8.344 7.703 1.00 0.00 H new ATOM 0 HA VAL A 40 7.907 -10.618 6.065 1.00 0.00 H new ATOM 0 HB VAL A 40 7.662 -10.402 9.056 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.774 -12.659 9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.197 -12.701 8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.698 -12.678 7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.150 -10.684 9.060 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.141 -10.632 7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.650 -9.200 8.216 1.00 0.00 H new ATOM 409 N ASP A 41 5.126 -10.353 7.851 1.00 0.00 N ATOM 410 CA ASP A 41 3.710 -10.766 7.960 1.00 0.00 C ATOM 411 C ASP A 41 2.940 -10.506 6.650 1.00 0.00 C ATOM 412 O ASP A 41 2.125 -11.326 6.226 1.00 0.00 O ATOM 413 CB ASP A 41 3.117 -9.977 9.136 1.00 0.00 C ATOM 414 CG ASP A 41 1.671 -10.308 9.494 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.333 -11.506 9.548 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.974 -9.314 9.802 1.00 0.00 O ATOM 0 H ASP A 41 5.408 -9.675 8.559 1.00 0.00 H new ATOM 0 HA ASP A 41 3.630 -11.839 8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.738 -10.149 10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.180 -8.914 8.905 1.00 0.00 H new ATOM 418 N ALA A 42 3.291 -9.405 5.996 1.00 0.00 N ATOM 419 CA ALA A 42 2.715 -8.980 4.717 1.00 0.00 C ATOM 420 C ALA A 42 3.082 -9.922 3.567 1.00 0.00 C ATOM 421 O ALA A 42 2.168 -10.440 2.936 1.00 0.00 O ATOM 422 CB ALA A 42 3.178 -7.564 4.403 1.00 0.00 C ATOM 0 H ALA A 42 4.002 -8.763 6.346 1.00 0.00 H new ATOM 0 HA ALA A 42 1.630 -9.009 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.752 -7.244 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.849 -6.890 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.266 -7.543 4.338 1.00 0.00 H new ATOM 424 N LEU A 43 4.368 -10.252 3.403 1.00 0.00 N ATOM 425 CA LEU A 43 4.845 -11.171 2.340 1.00 0.00 C ATOM 426 C LEU A 43 4.092 -12.520 2.372 1.00 0.00 C ATOM 427 O LEU A 43 3.690 -13.027 1.325 1.00 0.00 O ATOM 428 CB LEU A 43 6.351 -11.418 2.404 1.00 0.00 C ATOM 429 CG LEU A 43 7.191 -10.252 1.859 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.669 -10.508 2.153 1.00 0.00 C ATOM 431 CD2 LEU A 43 7.005 -10.051 0.349 1.00 0.00 C ATOM 0 H LEU A 43 5.115 -9.894 3.999 1.00 0.00 H new ATOM 0 HA LEU A 43 4.630 -10.668 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.636 -11.607 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.587 -12.320 1.839 1.00 0.00 H new ATOM 0 HG LEU A 43 6.850 -9.345 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.265 -9.681 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.817 -10.590 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.980 -11.436 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.620 -9.215 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.305 -10.956 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.957 -9.838 0.137 1.00 0.00 H new ATOM 433 N ASN A 44 3.910 -13.033 3.593 1.00 0.00 N ATOM 434 CA ASN A 44 3.154 -14.267 3.873 1.00 0.00 C ATOM 435 C ASN A 44 1.713 -14.139 3.354 1.00 0.00 C ATOM 436 O ASN A 44 1.333 -14.788 2.382 1.00 0.00 O ATOM 437 CB ASN A 44 3.111 -14.504 5.394 1.00 0.00 C ATOM 438 CG ASN A 44 4.461 -14.808 6.061 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.535 -14.376 5.663 1.00 0.00 O ATOM 440 ND2 ASN A 44 4.411 -15.534 7.156 1.00 0.00 N ATOM 0 H ASN A 44 4.290 -12.597 4.433 1.00 0.00 H new ATOM 0 HA ASN A 44 3.646 -15.101 3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.683 -13.621 5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.433 -15.334 5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.267 -15.737 7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.517 -15.894 7.489 1.00 0.00 H new ATOM 444 N LYS A 45 1.020 -13.129 3.887 1.00 0.00 N ATOM 445 CA LYS A 45 -0.372 -12.777 3.546 1.00 0.00 C ATOM 446 C LYS A 45 -0.620 -12.468 2.062 1.00 0.00 C ATOM 447 O LYS A 45 -1.584 -12.966 1.485 1.00 0.00 O ATOM 448 CB LYS A 45 -0.803 -11.609 4.444 1.00 0.00 C ATOM 449 CG LYS A 45 -1.157 -12.134 5.842 1.00 0.00 C ATOM 450 CD LYS A 45 -1.612 -11.007 6.766 1.00 0.00 C ATOM 451 CE LYS A 45 -2.031 -11.545 8.133 1.00 0.00 C ATOM 452 NZ LYS A 45 -3.292 -12.308 8.022 1.00 0.00 N ATOM 0 H LYS A 45 1.421 -12.510 4.592 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.984 -13.660 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.000 -10.875 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.663 -11.100 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.947 -12.881 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.290 -12.632 6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.804 -10.286 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.447 -10.475 6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.246 -12.185 8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.159 -10.719 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.680 -12.478 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.978 -11.765 7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.107 -13.219 7.555 1.00 0.00 H new ATOM 457 N LEU A 46 0.319 -11.752 1.439 1.00 0.00 N ATOM 458 CA LEU A 46 0.270 -11.417 0.000 1.00 0.00 C ATOM 459 C LEU A 46 0.158 -12.674 -0.882 1.00 0.00 C ATOM 460 O LEU A 46 -0.769 -12.816 -1.674 1.00 0.00 O ATOM 461 CB LEU A 46 1.535 -10.644 -0.409 1.00 0.00 C ATOM 462 CG LEU A 46 1.420 -9.157 -0.049 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.802 -8.505 -0.027 1.00 0.00 C ATOM 464 CD2 LEU A 46 0.491 -8.439 -1.030 1.00 0.00 C ATOM 0 H LEU A 46 1.142 -11.383 1.915 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.618 -10.804 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.404 -11.075 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.697 -10.749 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 46 0.989 -9.072 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.703 -7.450 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.427 -9.002 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.263 -8.597 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.421 -7.385 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.890 -8.529 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.500 -8.891 -0.989 1.00 0.00 H new ATOM 466 N GLN A 47 1.028 -13.631 -0.582 1.00 0.00 N ATOM 467 CA GLN A 47 1.103 -14.921 -1.293 1.00 0.00 C ATOM 468 C GLN A 47 -0.053 -15.892 -1.024 1.00 0.00 C ATOM 469 O GLN A 47 -0.209 -16.870 -1.755 1.00 0.00 O ATOM 470 CB GLN A 47 2.486 -15.543 -1.099 1.00 0.00 C ATOM 471 CG GLN A 47 3.492 -14.741 -1.931 1.00 0.00 C ATOM 472 CD GLN A 47 4.949 -15.115 -1.663 1.00 0.00 C ATOM 473 OE1 GLN A 47 5.630 -15.737 -2.469 1.00 0.00 O ATOM 474 NE2 GLN A 47 5.488 -14.602 -0.578 1.00 0.00 N ATOM 0 H GLN A 47 1.713 -13.541 0.169 1.00 0.00 H new ATOM 0 HA GLN A 47 0.968 -14.698 -2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.766 -15.527 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.481 -16.587 -1.412 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.276 -14.891 -2.989 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.355 -13.679 -1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.909 -14.086 0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.485 -14.720 -0.399 1.00 0.00 H new ATOM 478 N ALA A 48 -0.940 -15.529 -0.095 1.00 0.00 N ATOM 479 CA ALA A 48 -2.160 -16.310 0.213 1.00 0.00 C ATOM 480 C ALA A 48 -3.207 -16.258 -0.923 1.00 0.00 C ATOM 481 O ALA A 48 -4.224 -16.948 -0.866 1.00 0.00 O ATOM 482 CB ALA A 48 -2.771 -15.816 1.538 1.00 0.00 C ATOM 0 H ALA A 48 -0.841 -14.686 0.470 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.864 -17.354 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.669 -16.392 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.047 -15.944 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.030 -14.761 1.448 1.00 0.00 H new ATOM 484 N GLY A 49 -2.929 -15.404 -1.915 1.00 0.00 N ATOM 485 CA GLY A 49 -3.751 -15.235 -3.129 1.00 0.00 C ATOM 486 C GLY A 49 -4.572 -13.936 -3.237 1.00 0.00 C ATOM 487 O GLY A 49 -4.859 -13.253 -2.256 1.00 0.00 O ATOM 0 H GLY A 49 -2.110 -14.796 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.093 -15.294 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.439 -16.078 -3.193 1.00 0.00 H new ATOM 489 N GLY A 50 -4.702 -13.530 -4.499 1.00 0.00 N ATOM 490 CA GLY A 50 -5.505 -12.381 -4.963 1.00 0.00 C ATOM 491 C GLY A 50 -5.073 -10.924 -4.699 1.00 0.00 C ATOM 492 O GLY A 50 -5.653 -10.044 -5.342 1.00 0.00 O ATOM 0 H GLY A 50 -4.232 -14.010 -5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.611 -12.487 -6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.499 -12.497 -4.532 1.00 0.00 H new ATOM 494 N TYR A 51 -4.095 -10.642 -3.836 1.00 0.00 N ATOM 495 CA TYR A 51 -3.707 -9.249 -3.546 1.00 0.00 C ATOM 496 C TYR A 51 -3.080 -8.470 -4.718 1.00 0.00 C ATOM 497 O TYR A 51 -1.895 -8.592 -5.020 1.00 0.00 O ATOM 498 CB TYR A 51 -2.850 -9.070 -2.290 1.00 0.00 C ATOM 499 CG TYR A 51 -3.577 -9.569 -1.051 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.651 -8.798 -0.554 1.00 0.00 C ATOM 501 CD2 TYR A 51 -3.353 -10.900 -0.625 1.00 0.00 C ATOM 502 CE1 TYR A 51 -5.572 -9.391 0.333 1.00 0.00 C ATOM 503 CE2 TYR A 51 -4.265 -11.496 0.265 1.00 0.00 C ATOM 504 CZ TYR A 51 -5.375 -10.738 0.707 1.00 0.00 C ATOM 505 OH TYR A 51 -6.282 -11.346 1.512 1.00 0.00 O ATOM 0 H TYR A 51 -3.559 -11.346 -3.328 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.683 -8.802 -3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.912 -9.612 -2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.597 -8.017 -2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.765 -7.766 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.494 -11.451 -0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.409 -8.828 0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.121 -12.511 0.604 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.004 -12.271 1.677 1.00 0.00 H new ATOM 508 N GLY A 52 -3.921 -7.584 -5.247 1.00 0.00 N ATOM 509 CA GLY A 52 -3.575 -6.697 -6.365 1.00 0.00 C ATOM 510 C GLY A 52 -3.242 -5.275 -5.900 1.00 0.00 C ATOM 511 O GLY A 52 -3.399 -4.342 -6.677 1.00 0.00 O ATOM 0 H GLY A 52 -4.875 -7.457 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.721 -7.110 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.407 -6.661 -7.068 1.00 0.00 H new ATOM 513 N PHE A 53 -2.898 -5.128 -4.611 1.00 0.00 N ATOM 514 CA PHE A 53 -2.544 -3.830 -3.995 1.00 0.00 C ATOM 515 C PHE A 53 -1.984 -3.990 -2.573 1.00 0.00 C ATOM 516 O PHE A 53 -2.536 -4.715 -1.734 1.00 0.00 O ATOM 517 CB PHE A 53 -3.760 -2.900 -3.904 1.00 0.00 C ATOM 518 CG PHE A 53 -3.423 -1.453 -4.240 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.509 -0.707 -3.455 1.00 0.00 C ATOM 520 CD2 PHE A 53 -4.058 -0.858 -5.356 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.209 0.623 -3.797 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.767 0.476 -5.700 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.836 1.206 -4.917 1.00 0.00 C ATOM 0 H PHE A 53 -2.856 -5.910 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.781 -3.402 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.535 -3.255 -4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.173 -2.947 -2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.042 -1.161 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.765 -1.426 -5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.505 1.192 -3.208 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.247 0.938 -6.550 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.603 2.226 -5.184 1.00 0.00 H new ATOM 525 N VAL A 54 -0.926 -3.228 -2.321 1.00 0.00 N ATOM 526 CA VAL A 54 -0.227 -3.184 -1.017 1.00 0.00 C ATOM 527 C VAL A 54 -0.187 -1.728 -0.529 1.00 0.00 C ATOM 528 O VAL A 54 0.361 -0.849 -1.186 1.00 0.00 O ATOM 529 CB VAL A 54 1.227 -3.707 -1.114 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.878 -3.833 0.273 1.00 0.00 C ATOM 531 CG2 VAL A 54 1.315 -5.064 -1.810 1.00 0.00 C ATOM 0 H VAL A 54 -0.514 -2.609 -3.020 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.772 -3.826 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 54 1.763 -2.968 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.898 -4.203 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.896 -2.856 0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.303 -4.529 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.356 -5.385 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.731 -5.797 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.921 -4.980 -2.823 1.00 0.00 H new ATOM 533 N ILE A 55 -0.797 -1.518 0.632 1.00 0.00 N ATOM 534 CA ILE A 55 -0.797 -0.203 1.307 1.00 0.00 C ATOM 535 C ILE A 55 0.061 -0.423 2.559 1.00 0.00 C ATOM 536 O ILE A 55 -0.371 -1.088 3.502 1.00 0.00 O ATOM 537 CB ILE A 55 -2.233 0.295 1.595 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.963 0.566 0.276 1.00 0.00 C ATOM 539 CG2 ILE A 55 -2.201 1.536 2.503 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.445 0.943 0.418 1.00 0.00 C ATOM 0 H ILE A 55 -1.306 -2.243 1.138 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.382 0.597 0.693 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.785 -0.478 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.448 1.371 -0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.888 -0.322 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.220 1.873 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.718 1.284 3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.642 2.332 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.873 1.115 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.981 0.131 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.534 1.851 1.015 1.00 0.00 H new ATOM 542 N SER A 56 1.299 0.052 2.502 1.00 0.00 N ATOM 543 CA SER A 56 2.251 -0.164 3.609 1.00 0.00 C ATOM 544 C SER A 56 2.851 1.069 4.289 1.00 0.00 C ATOM 545 O SER A 56 3.420 1.967 3.668 1.00 0.00 O ATOM 546 CB SER A 56 3.389 -1.090 3.176 1.00 0.00 C ATOM 547 OG SER A 56 3.984 -1.710 4.319 1.00 0.00 O ATOM 0 H SER A 56 1.674 0.584 1.716 1.00 0.00 H new ATOM 0 HA SER A 56 1.615 -0.613 4.372 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.008 -1.853 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.141 -0.522 2.629 1.00 0.00 H new ATOM 0 HG SER A 56 3.535 -1.397 5.132 1.00 0.00 H new ATOM 550 N ASP A 57 2.789 0.982 5.610 1.00 0.00 N ATOM 551 CA ASP A 57 3.330 1.990 6.541 1.00 0.00 C ATOM 552 C ASP A 57 4.867 1.993 6.460 1.00 0.00 C ATOM 553 O ASP A 57 5.485 0.932 6.487 1.00 0.00 O ATOM 554 CB ASP A 57 2.867 1.586 7.948 1.00 0.00 C ATOM 555 CG ASP A 57 3.205 2.553 9.085 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.383 2.968 9.168 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.289 2.784 9.911 1.00 0.00 O ATOM 0 H ASP A 57 2.352 0.193 6.086 1.00 0.00 H new ATOM 0 HA ASP A 57 2.980 2.992 6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.786 1.452 7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.304 0.616 8.185 1.00 0.00 H new ATOM 559 N TRP A 58 5.453 3.180 6.335 1.00 0.00 N ATOM 560 CA TRP A 58 6.917 3.348 6.245 1.00 0.00 C ATOM 561 C TRP A 58 7.682 2.734 7.432 1.00 0.00 C ATOM 562 O TRP A 58 8.471 1.812 7.236 1.00 0.00 O ATOM 563 CB TRP A 58 7.230 4.839 6.072 1.00 0.00 C ATOM 564 CG TRP A 58 8.607 5.086 5.448 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.748 5.311 6.109 1.00 0.00 C ATOM 566 CD2 TRP A 58 8.888 5.219 4.091 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.728 5.584 5.249 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.259 5.537 4.000 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.106 5.064 2.931 1.00 0.00 C ATOM 570 CZ2 TRP A 58 10.867 5.714 2.743 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.721 5.230 1.670 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.092 5.548 1.579 1.00 0.00 C ATOM 0 H TRP A 58 4.935 4.058 6.292 1.00 0.00 H new ATOM 0 HA TRP A 58 7.268 2.792 5.376 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.464 5.296 5.445 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.182 5.331 7.043 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.859 5.276 7.183 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.692 5.797 5.506 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.056 4.823 3.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.913 5.973 2.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.137 5.113 0.769 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.551 5.665 0.609 1.00 0.00 H new ATOM 575 N ASN A 59 7.267 3.074 8.653 1.00 0.00 N ATOM 576 CA ASN A 59 7.890 2.585 9.901 1.00 0.00 C ATOM 577 C ASN A 59 7.243 1.302 10.457 1.00 0.00 C ATOM 578 O ASN A 59 6.441 1.316 11.395 1.00 0.00 O ATOM 579 CB ASN A 59 7.942 3.716 10.942 1.00 0.00 C ATOM 580 CG ASN A 59 6.608 4.440 11.161 1.00 0.00 C ATOM 581 OD1 ASN A 59 6.167 5.231 10.348 1.00 0.00 O ATOM 582 ND2 ASN A 59 5.889 4.087 12.213 1.00 0.00 N ATOM 0 H ASN A 59 6.481 3.703 8.814 1.00 0.00 H new ATOM 0 HA ASN A 59 8.910 2.290 9.657 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.277 3.302 11.893 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.690 4.445 10.631 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.957 4.478 12.348 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.267 3.423 12.889 1.00 0.00 H new ATOM 586 N MET A 60 7.775 0.171 10.008 1.00 0.00 N ATOM 587 CA MET A 60 7.276 -1.163 10.424 1.00 0.00 C ATOM 588 C MET A 60 8.390 -2.046 11.023 1.00 0.00 C ATOM 589 O MET A 60 9.484 -2.063 10.465 1.00 0.00 O ATOM 590 CB MET A 60 6.614 -1.874 9.232 1.00 0.00 C ATOM 591 CG MET A 60 5.342 -1.195 8.740 1.00 0.00 C ATOM 592 SD MET A 60 4.393 -2.163 7.510 1.00 0.00 S ATOM 593 CE MET A 60 5.666 -2.844 6.468 1.00 0.00 C ATOM 0 H MET A 60 8.556 0.137 9.353 1.00 0.00 H new ATOM 0 HA MET A 60 6.537 -1.003 11.209 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.328 -1.926 8.410 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.380 -2.900 9.517 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.700 -0.990 9.597 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.605 -0.232 8.302 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.210 -3.450 5.685 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.236 -2.034 6.014 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.332 -3.466 7.066 1.00 0.00 H new ATOM 595 N PRO A 61 8.124 -2.743 12.140 1.00 0.00 N ATOM 596 CA PRO A 61 9.092 -3.639 12.811 1.00 0.00 C ATOM 597 C PRO A 61 9.644 -4.676 11.828 1.00 0.00 C ATOM 598 O PRO A 61 8.931 -5.075 10.910 1.00 0.00 O ATOM 599 CB PRO A 61 8.282 -4.344 13.907 1.00 0.00 C ATOM 600 CG PRO A 61 7.229 -3.308 14.276 1.00 0.00 C ATOM 601 CD PRO A 61 6.881 -2.673 12.932 1.00 0.00 C ATOM 0 HA PRO A 61 9.945 -3.088 13.206 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.830 -5.267 13.544 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.905 -4.609 14.762 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.358 -3.768 14.742 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.617 -2.573 14.981 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.070 -3.210 12.441 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.551 -1.642 13.057 1.00 0.00 H new ATOM 602 N ASN A 62 10.899 -5.071 12.065 1.00 0.00 N ATOM 603 CA ASN A 62 11.691 -6.040 11.258 1.00 0.00 C ATOM 604 C ASN A 62 11.906 -5.625 9.791 1.00 0.00 C ATOM 605 O ASN A 62 13.018 -5.247 9.417 1.00 0.00 O ATOM 606 CB ASN A 62 11.287 -7.516 11.419 1.00 0.00 C ATOM 607 CG ASN A 62 9.795 -7.849 11.302 1.00 0.00 C ATOM 608 OD1 ASN A 62 9.149 -7.708 10.270 1.00 0.00 O ATOM 609 ND2 ASN A 62 9.256 -8.374 12.374 1.00 0.00 N ATOM 0 H ASN A 62 11.427 -4.713 12.861 1.00 0.00 H new ATOM 0 HA ASN A 62 12.677 -5.981 11.719 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.823 -8.097 10.669 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.634 -7.857 12.394 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.281 -8.674 12.360 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.811 -8.483 13.223 1.00 0.00 H new ATOM 613 N MET A 63 10.831 -5.605 9.014 1.00 0.00 N ATOM 614 CA MET A 63 10.842 -5.216 7.605 1.00 0.00 C ATOM 615 C MET A 63 9.870 -4.039 7.413 1.00 0.00 C ATOM 616 O MET A 63 8.662 -4.167 7.613 1.00 0.00 O ATOM 617 CB MET A 63 10.448 -6.437 6.754 1.00 0.00 C ATOM 618 CG MET A 63 10.654 -6.192 5.260 1.00 0.00 C ATOM 619 SD MET A 63 10.021 -7.533 4.186 1.00 0.00 S ATOM 620 CE MET A 63 11.105 -8.873 4.633 1.00 0.00 C ATOM 0 H MET A 63 9.904 -5.864 9.351 1.00 0.00 H new ATOM 0 HA MET A 63 11.833 -4.890 7.288 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.039 -7.299 7.064 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.403 -6.684 6.939 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.162 -5.259 4.985 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.719 -6.060 5.068 1.00 0.00 H new ATOM 0 HE1 MET A 63 10.912 -9.728 3.985 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.142 -8.557 4.517 1.00 0.00 H new ATOM 0 HE3 MET A 63 10.926 -9.156 5.670 1.00 0.00 H new ATOM 622 N ASP A 64 10.486 -2.868 7.318 1.00 0.00 N ATOM 623 CA ASP A 64 9.771 -1.580 7.128 1.00 0.00 C ATOM 624 C ASP A 64 9.064 -1.496 5.761 1.00 0.00 C ATOM 625 O ASP A 64 9.432 -2.217 4.839 1.00 0.00 O ATOM 626 CB ASP A 64 10.742 -0.406 7.307 1.00 0.00 C ATOM 627 CG ASP A 64 11.271 -0.318 8.735 1.00 0.00 C ATOM 628 OD1 ASP A 64 12.302 -0.969 8.996 1.00 0.00 O ATOM 629 OD2 ASP A 64 10.622 0.398 9.528 1.00 0.00 O ATOM 0 H ASP A 64 11.500 -2.768 7.369 1.00 0.00 H new ATOM 0 HA ASP A 64 8.993 -1.524 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.578 -0.518 6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.237 0.525 7.049 1.00 0.00 H new ATOM 631 N GLY A 65 8.186 -0.496 5.605 1.00 0.00 N ATOM 632 CA GLY A 65 7.401 -0.253 4.369 1.00 0.00 C ATOM 633 C GLY A 65 8.268 -0.264 3.098 1.00 0.00 C ATOM 634 O GLY A 65 8.067 -1.077 2.203 1.00 0.00 O ATOM 0 H GLY A 65 7.992 0.183 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.626 -1.015 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.895 0.709 4.449 1.00 0.00 H new ATOM 636 N LEU A 66 9.319 0.553 3.118 1.00 0.00 N ATOM 637 CA LEU A 66 10.282 0.657 2.003 1.00 0.00 C ATOM 638 C LEU A 66 10.954 -0.689 1.656 1.00 0.00 C ATOM 639 O LEU A 66 10.994 -1.088 0.497 1.00 0.00 O ATOM 640 CB LEU A 66 11.270 1.762 2.395 1.00 0.00 C ATOM 641 CG LEU A 66 12.338 2.011 1.329 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.779 2.460 -0.017 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.312 3.086 1.812 1.00 0.00 C ATOM 0 H LEU A 66 9.535 1.166 3.904 1.00 0.00 H new ATOM 0 HA LEU A 66 9.776 0.919 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.721 2.686 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.756 1.492 3.333 1.00 0.00 H new ATOM 0 HG LEU A 66 12.830 1.050 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.599 2.615 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.109 1.694 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.229 3.392 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.071 3.259 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.768 4.012 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.793 2.754 2.732 1.00 0.00 H new ATOM 645 N GLU A 67 11.276 -1.472 2.688 1.00 0.00 N ATOM 646 CA GLU A 67 11.896 -2.806 2.519 1.00 0.00 C ATOM 647 C GLU A 67 10.891 -3.835 1.971 1.00 0.00 C ATOM 648 O GLU A 67 11.234 -4.605 1.068 1.00 0.00 O ATOM 649 CB GLU A 67 12.548 -3.269 3.826 1.00 0.00 C ATOM 650 CG GLU A 67 13.902 -2.593 4.087 1.00 0.00 C ATOM 651 CD GLU A 67 13.835 -1.062 4.198 1.00 0.00 C ATOM 652 OE1 GLU A 67 12.976 -0.575 4.962 1.00 0.00 O ATOM 653 OE2 GLU A 67 14.628 -0.408 3.481 1.00 0.00 O ATOM 0 H GLU A 67 11.119 -1.210 3.661 1.00 0.00 H new ATOM 0 HA GLU A 67 12.685 -2.721 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.875 -3.058 4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.687 -4.350 3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.323 -2.994 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.588 -2.857 3.282 1.00 0.00 H new ATOM 655 N LEU A 68 9.642 -3.745 2.429 1.00 0.00 N ATOM 656 CA LEU A 68 8.531 -4.586 1.950 1.00 0.00 C ATOM 657 C LEU A 68 8.306 -4.368 0.444 1.00 0.00 C ATOM 658 O LEU A 68 8.205 -5.322 -0.333 1.00 0.00 O ATOM 659 CB LEU A 68 7.258 -4.282 2.764 1.00 0.00 C ATOM 660 CG LEU A 68 6.027 -5.047 2.271 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.190 -6.567 2.365 1.00 0.00 C ATOM 662 CD2 LEU A 68 4.800 -4.594 3.065 1.00 0.00 C ATOM 0 H LEU A 68 9.364 -3.080 3.151 1.00 0.00 H new ATOM 0 HA LEU A 68 8.783 -5.636 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.436 -4.530 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.054 -3.212 2.720 1.00 0.00 H new ATOM 0 HG LEU A 68 5.900 -4.816 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.285 -7.053 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.039 -6.880 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.362 -6.851 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.921 -5.136 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.956 -4.798 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.647 -3.525 2.920 1.00 0.00 H new ATOM 664 N LEU A 69 8.363 -3.100 0.035 1.00 0.00 N ATOM 665 CA LEU A 69 8.258 -2.666 -1.367 1.00 0.00 C ATOM 666 C LEU A 69 9.319 -3.395 -2.225 1.00 0.00 C ATOM 667 O LEU A 69 8.951 -4.135 -3.134 1.00 0.00 O ATOM 668 CB LEU A 69 8.400 -1.136 -1.329 1.00 0.00 C ATOM 669 CG LEU A 69 8.809 -0.445 -2.624 1.00 0.00 C ATOM 670 CD1 LEU A 69 7.829 -0.720 -3.774 1.00 0.00 C ATOM 671 CD2 LEU A 69 8.937 1.054 -2.364 1.00 0.00 C ATOM 0 H LEU A 69 8.487 -2.322 0.683 1.00 0.00 H new ATOM 0 HA LEU A 69 7.310 -2.922 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.447 -0.716 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.134 -0.883 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 69 9.769 -0.853 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.168 -0.204 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.785 -1.792 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.837 -0.359 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.230 1.559 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.979 1.447 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.694 1.227 -1.599 1.00 0.00 H new ATOM 673 N LYS A 70 10.548 -3.420 -1.712 1.00 0.00 N ATOM 674 CA LYS A 70 11.693 -4.108 -2.351 1.00 0.00 C ATOM 675 C LYS A 70 11.441 -5.625 -2.506 1.00 0.00 C ATOM 676 O LYS A 70 11.570 -6.151 -3.610 1.00 0.00 O ATOM 677 CB LYS A 70 12.981 -3.848 -1.561 1.00 0.00 C ATOM 678 CG LYS A 70 13.336 -2.356 -1.501 1.00 0.00 C ATOM 679 CD LYS A 70 14.592 -2.116 -0.662 1.00 0.00 C ATOM 680 CE LYS A 70 14.876 -0.615 -0.527 1.00 0.00 C ATOM 681 NZ LYS A 70 16.139 -0.407 0.188 1.00 0.00 N ATOM 0 H LYS A 70 10.790 -2.962 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 70 11.807 -3.697 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.867 -4.233 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.803 -4.397 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.493 -1.977 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.501 -1.798 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.465 -2.557 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.445 -2.612 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.927 -0.156 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.061 -0.129 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.325 0.613 0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.075 -0.830 1.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.915 -0.856 -0.340 1.00 0.00 H new ATOM 686 N THR A 71 10.938 -6.261 -1.449 1.00 0.00 N ATOM 687 CA THR A 71 10.599 -7.719 -1.426 1.00 0.00 C ATOM 688 C THR A 71 9.525 -8.072 -2.468 1.00 0.00 C ATOM 689 O THR A 71 9.613 -9.127 -3.105 1.00 0.00 O ATOM 690 CB THR A 71 10.363 -8.249 -0.022 1.00 0.00 C ATOM 691 OG1 THR A 71 9.392 -7.489 0.707 1.00 0.00 O ATOM 692 CG2 THR A 71 11.685 -8.318 0.749 1.00 0.00 C ATOM 0 H THR A 71 10.745 -5.790 -0.565 1.00 0.00 H new ATOM 0 HA THR A 71 11.479 -8.274 -1.750 1.00 0.00 H new ATOM 0 HB THR A 71 9.953 -9.253 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.000 -6.810 0.119 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.501 -8.699 1.753 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.375 -8.983 0.229 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.121 -7.321 0.814 1.00 0.00 H new ATOM 695 N ILE A 72 8.583 -7.161 -2.691 1.00 0.00 N ATOM 696 CA ILE A 72 7.501 -7.296 -3.695 1.00 0.00 C ATOM 697 C ILE A 72 8.110 -7.128 -5.103 1.00 0.00 C ATOM 698 O ILE A 72 8.153 -8.085 -5.884 1.00 0.00 O ATOM 699 CB ILE A 72 6.376 -6.276 -3.415 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.785 -6.483 -2.011 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.255 -6.344 -4.461 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.088 -5.236 -1.466 1.00 0.00 C ATOM 0 H ILE A 72 8.538 -6.283 -2.173 1.00 0.00 H new ATOM 0 HA ILE A 72 7.046 -8.285 -3.633 1.00 0.00 H new ATOM 0 HB ILE A 72 6.831 -5.287 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.072 -7.307 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.582 -6.775 -1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.488 -5.608 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.665 -6.131 -5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.815 -7.341 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.692 -5.446 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.804 -4.416 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.271 -4.956 -2.131 1.00 0.00 H new ATOM 704 N ARG A 73 8.763 -5.987 -5.303 1.00 0.00 N ATOM 705 CA ARG A 73 9.432 -5.580 -6.556 1.00 0.00 C ATOM 706 C ARG A 73 10.440 -6.615 -7.095 1.00 0.00 C ATOM 707 O ARG A 73 10.474 -6.890 -8.292 1.00 0.00 O ATOM 708 CB ARG A 73 10.062 -4.188 -6.428 1.00 0.00 C ATOM 709 CG ARG A 73 8.960 -3.120 -6.381 1.00 0.00 C ATOM 710 CD ARG A 73 8.163 -3.059 -7.694 1.00 0.00 C ATOM 711 NE ARG A 73 6.959 -2.221 -7.540 1.00 0.00 N ATOM 712 CZ ARG A 73 5.726 -2.648 -7.250 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.452 -3.908 -6.940 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.726 -1.777 -7.227 1.00 0.00 N ATOM 0 H ARG A 73 8.850 -5.283 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 73 8.643 -5.530 -7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.670 -4.136 -5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.727 -4.001 -7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.282 -3.334 -5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.407 -2.146 -6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.792 -2.656 -8.488 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.874 -4.066 -7.996 1.00 0.00 H new ATOM 0 HE ARG A 73 7.079 -1.216 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.200 -4.601 -6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.494 -4.184 -6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.902 -0.793 -7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.781 -2.091 -7.007 1.00 0.00 H new ATOM 721 N ALA A 74 11.238 -7.190 -6.194 1.00 0.00 N ATOM 722 CA ALA A 74 12.240 -8.224 -6.536 1.00 0.00 C ATOM 723 C ALA A 74 11.642 -9.567 -7.011 1.00 0.00 C ATOM 724 O ALA A 74 12.224 -10.259 -7.851 1.00 0.00 O ATOM 725 CB ALA A 74 13.141 -8.466 -5.316 1.00 0.00 C ATOM 0 H ALA A 74 11.215 -6.957 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 74 12.804 -7.836 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.883 -9.227 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.646 -7.538 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.534 -8.805 -4.477 1.00 0.00 H new ATOM 727 N ASP A 75 10.453 -9.889 -6.508 1.00 0.00 N ATOM 728 CA ASP A 75 9.748 -11.138 -6.845 1.00 0.00 C ATOM 729 C ASP A 75 8.872 -10.965 -8.098 1.00 0.00 C ATOM 730 O ASP A 75 7.752 -10.476 -8.016 1.00 0.00 O ATOM 731 CB ASP A 75 8.924 -11.556 -5.616 1.00 0.00 C ATOM 732 CG ASP A 75 8.310 -12.946 -5.800 1.00 0.00 C ATOM 733 OD1 ASP A 75 7.228 -13.015 -6.430 1.00 0.00 O ATOM 734 OD2 ASP A 75 8.982 -13.909 -5.388 1.00 0.00 O ATOM 0 H ASP A 75 9.944 -9.295 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 75 10.463 -11.924 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.561 -11.552 -4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.132 -10.827 -5.442 1.00 0.00 H new ATOM 736 N GLY A 76 9.408 -11.434 -9.222 1.00 0.00 N ATOM 737 CA GLY A 76 8.805 -11.442 -10.583 1.00 0.00 C ATOM 738 C GLY A 76 7.313 -11.100 -10.720 1.00 0.00 C ATOM 739 O GLY A 76 6.939 -10.039 -11.223 1.00 0.00 O ATOM 0 H GLY A 76 10.339 -11.851 -9.223 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.365 -10.739 -11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.960 -12.433 -11.009 1.00 0.00 H new ATOM 741 N ALA A 77 6.459 -12.043 -10.324 1.00 0.00 N ATOM 742 CA ALA A 77 4.982 -11.887 -10.393 1.00 0.00 C ATOM 743 C ALA A 77 4.442 -10.675 -9.603 1.00 0.00 C ATOM 744 O ALA A 77 3.696 -9.846 -10.119 1.00 0.00 O ATOM 745 CB ALA A 77 4.310 -13.176 -9.920 1.00 0.00 C ATOM 0 H ALA A 77 6.758 -12.941 -9.944 1.00 0.00 H new ATOM 0 HA ALA A 77 4.736 -11.691 -11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.227 -13.062 -9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.618 -14.003 -10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.605 -13.384 -8.892 1.00 0.00 H new ATOM 747 N MET A 78 5.017 -10.495 -8.419 1.00 0.00 N ATOM 748 CA MET A 78 4.679 -9.417 -7.465 1.00 0.00 C ATOM 749 C MET A 78 5.163 -8.025 -7.903 1.00 0.00 C ATOM 750 O MET A 78 4.546 -7.022 -7.546 1.00 0.00 O ATOM 751 CB MET A 78 5.242 -9.755 -6.081 1.00 0.00 C ATOM 752 CG MET A 78 4.604 -11.013 -5.477 1.00 0.00 C ATOM 753 SD MET A 78 5.358 -11.514 -3.889 1.00 0.00 S ATOM 754 CE MET A 78 4.688 -10.273 -2.806 1.00 0.00 C ATOM 0 H MET A 78 5.756 -11.109 -8.075 1.00 0.00 H new ATOM 0 HA MET A 78 3.591 -9.364 -7.433 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.320 -9.899 -6.156 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.079 -8.911 -5.410 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.539 -10.835 -5.326 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.692 -11.834 -6.188 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.502 -9.740 -2.315 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.091 -9.569 -3.385 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.059 -10.748 -2.053 1.00 0.00 H new ATOM 756 N SER A 79 6.202 -7.979 -8.752 1.00 0.00 N ATOM 757 CA SER A 79 6.804 -6.745 -9.300 1.00 0.00 C ATOM 758 C SER A 79 5.794 -5.773 -9.941 1.00 0.00 C ATOM 759 O SER A 79 6.067 -4.585 -10.063 1.00 0.00 O ATOM 760 CB SER A 79 7.832 -7.102 -10.373 1.00 0.00 C ATOM 761 OG SER A 79 8.752 -8.072 -9.858 1.00 0.00 O ATOM 0 H SER A 79 6.663 -8.824 -9.089 1.00 0.00 H new ATOM 0 HA SER A 79 7.251 -6.243 -8.442 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.328 -7.497 -11.255 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.370 -6.207 -10.687 1.00 0.00 H new ATOM 0 HG SER A 79 9.419 -7.624 -9.296 1.00 0.00 H new ATOM 764 N ALA A 80 4.700 -6.330 -10.457 1.00 0.00 N ATOM 765 CA ALA A 80 3.603 -5.568 -11.102 1.00 0.00 C ATOM 766 C ALA A 80 2.480 -5.112 -10.145 1.00 0.00 C ATOM 767 O ALA A 80 1.693 -4.231 -10.503 1.00 0.00 O ATOM 768 CB ALA A 80 3.016 -6.429 -12.224 1.00 0.00 C ATOM 0 H ALA A 80 4.537 -7.337 -10.445 1.00 0.00 H new ATOM 0 HA ALA A 80 4.041 -4.645 -11.482 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.206 -5.887 -12.713 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.793 -6.655 -12.954 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.630 -7.358 -11.805 1.00 0.00 H new ATOM 770 N LEU A 81 2.473 -5.623 -8.908 1.00 0.00 N ATOM 771 CA LEU A 81 1.435 -5.309 -7.908 1.00 0.00 C ATOM 772 C LEU A 81 1.626 -3.926 -7.256 1.00 0.00 C ATOM 773 O LEU A 81 2.571 -3.749 -6.481 1.00 0.00 O ATOM 774 CB LEU A 81 1.327 -6.402 -6.841 1.00 0.00 C ATOM 775 CG LEU A 81 0.961 -7.770 -7.432 1.00 0.00 C ATOM 776 CD1 LEU A 81 1.048 -8.839 -6.349 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.436 -7.778 -8.084 1.00 0.00 C ATOM 0 H LEU A 81 3.187 -6.268 -8.568 1.00 0.00 H new ATOM 0 HA LEU A 81 0.494 -5.273 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.276 -6.482 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.575 -6.115 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 81 1.679 -7.987 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.787 -9.809 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.064 -8.876 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.355 -8.597 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.644 -8.770 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.188 -7.524 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.465 -7.046 -8.891 1.00 0.00 H new ATOM 779 N PRO A 82 0.695 -2.989 -7.482 1.00 0.00 N ATOM 780 CA PRO A 82 0.759 -1.611 -6.954 1.00 0.00 C ATOM 781 C PRO A 82 1.052 -1.487 -5.458 1.00 0.00 C ATOM 782 O PRO A 82 0.385 -2.080 -4.606 1.00 0.00 O ATOM 783 CB PRO A 82 -0.583 -0.976 -7.289 1.00 0.00 C ATOM 784 CG PRO A 82 -1.484 -2.135 -7.670 1.00 0.00 C ATOM 785 CD PRO A 82 -0.543 -3.177 -8.263 1.00 0.00 C ATOM 0 HA PRO A 82 1.608 -1.108 -7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.984 -0.429 -6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.489 -0.264 -8.109 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.013 -2.528 -6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.241 -1.828 -8.392 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.939 -4.187 -8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.378 -3.012 -9.328 1.00 0.00 H new ATOM 786 N VAL A 83 1.994 -0.594 -5.193 1.00 0.00 N ATOM 787 CA VAL A 83 2.476 -0.289 -3.831 1.00 0.00 C ATOM 788 C VAL A 83 2.271 1.199 -3.465 1.00 0.00 C ATOM 789 O VAL A 83 2.877 2.100 -4.051 1.00 0.00 O ATOM 790 CB VAL A 83 3.951 -0.706 -3.660 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.463 -0.446 -2.232 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.173 -2.199 -3.926 1.00 0.00 C ATOM 0 H VAL A 83 2.458 -0.048 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 83 1.875 -0.876 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 83 4.492 -0.101 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.506 -0.755 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.382 0.617 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.864 -1.016 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.228 -2.440 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.575 -2.786 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.874 -2.435 -4.947 1.00 0.00 H new ATOM 794 N LEU A 84 1.504 1.376 -2.399 1.00 0.00 N ATOM 795 CA LEU A 84 1.183 2.692 -1.816 1.00 0.00 C ATOM 796 C LEU A 84 1.851 2.814 -0.437 1.00 0.00 C ATOM 797 O LEU A 84 1.552 2.056 0.489 1.00 0.00 O ATOM 798 CB LEU A 84 -0.341 2.865 -1.715 1.00 0.00 C ATOM 799 CG LEU A 84 -0.772 4.233 -1.184 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.429 5.364 -2.151 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.287 4.246 -0.948 1.00 0.00 C ATOM 0 H LEU A 84 1.073 0.599 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 84 1.567 3.485 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.781 2.713 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.743 2.089 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.229 4.397 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.755 6.315 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.648 5.389 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.936 5.196 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.588 5.223 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.803 4.046 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.548 3.479 -0.219 1.00 0.00 H new ATOM 803 N MET A 85 2.892 3.634 -0.419 1.00 0.00 N ATOM 804 CA MET A 85 3.696 3.925 0.791 1.00 0.00 C ATOM 805 C MET A 85 3.039 4.976 1.687 1.00 0.00 C ATOM 806 O MET A 85 2.681 6.060 1.248 1.00 0.00 O ATOM 807 CB MET A 85 5.084 4.381 0.341 1.00 0.00 C ATOM 808 CG MET A 85 5.975 3.246 -0.169 1.00 0.00 C ATOM 809 SD MET A 85 6.647 2.185 1.168 1.00 0.00 S ATOM 810 CE MET A 85 5.644 0.735 0.970 1.00 0.00 C ATOM 0 H MET A 85 3.218 4.130 -1.249 1.00 0.00 H new ATOM 0 HA MET A 85 3.770 3.020 1.394 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.973 5.125 -0.448 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.582 4.874 1.176 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.402 2.627 -0.859 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.804 3.672 -0.735 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.893 0.011 1.746 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.592 1.007 1.052 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.830 0.295 -0.010 1.00 0.00 H new ATOM 812 N VAL A 86 2.798 4.569 2.921 1.00 0.00 N ATOM 813 CA VAL A 86 2.192 5.483 3.911 1.00 0.00 C ATOM 814 C VAL A 86 3.354 6.054 4.750 1.00 0.00 C ATOM 815 O VAL A 86 3.890 5.409 5.647 1.00 0.00 O ATOM 816 CB VAL A 86 1.109 4.886 4.815 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.241 6.041 5.310 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.177 3.899 4.095 1.00 0.00 C ATOM 0 H VAL A 86 3.003 3.633 3.270 1.00 0.00 H new ATOM 0 HA VAL A 86 1.646 6.246 3.356 1.00 0.00 H new ATOM 0 HB VAL A 86 1.616 4.340 5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.544 5.654 5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.857 6.746 5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.210 6.548 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.563 3.518 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.330 4.409 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.762 3.069 3.699 1.00 0.00 H new ATOM 820 N THR A 87 3.674 7.278 4.374 1.00 0.00 N ATOM 821 CA THR A 87 4.793 8.055 4.933 1.00 0.00 C ATOM 822 C THR A 87 4.345 9.255 5.778 1.00 0.00 C ATOM 823 O THR A 87 3.294 9.848 5.546 1.00 0.00 O ATOM 824 CB THR A 87 5.856 8.423 3.865 1.00 0.00 C ATOM 825 OG1 THR A 87 6.712 9.483 4.301 1.00 0.00 O ATOM 826 CG2 THR A 87 5.282 8.693 2.456 1.00 0.00 C ATOM 0 H THR A 87 3.157 7.783 3.654 1.00 0.00 H new ATOM 0 HA THR A 87 5.291 7.387 5.636 1.00 0.00 H new ATOM 0 HB THR A 87 6.463 7.524 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.433 10.323 3.881 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.095 8.943 1.774 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.767 7.802 2.096 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.579 9.525 2.503 1.00 0.00 H new ATOM 829 N ALA A 88 5.149 9.518 6.811 1.00 0.00 N ATOM 830 CA ALA A 88 4.947 10.593 7.797 1.00 0.00 C ATOM 831 C ALA A 88 4.835 12.019 7.219 1.00 0.00 C ATOM 832 O ALA A 88 4.045 12.826 7.707 1.00 0.00 O ATOM 833 CB ALA A 88 6.075 10.539 8.831 1.00 0.00 C ATOM 0 H ALA A 88 5.990 8.971 6.994 1.00 0.00 H new ATOM 0 HA ALA A 88 3.973 10.400 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.934 11.332 9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.062 9.572 9.334 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.034 10.675 8.331 1.00 0.00 H new ATOM 835 N GLU A 89 5.631 12.309 6.192 1.00 0.00 N ATOM 836 CA GLU A 89 5.664 13.629 5.528 1.00 0.00 C ATOM 837 C GLU A 89 6.196 13.494 4.099 1.00 0.00 C ATOM 838 O GLU A 89 7.075 12.674 3.848 1.00 0.00 O ATOM 839 CB GLU A 89 6.605 14.577 6.279 1.00 0.00 C ATOM 840 CG GLU A 89 5.887 15.748 6.958 1.00 0.00 C ATOM 841 CD GLU A 89 5.194 15.382 8.280 1.00 0.00 C ATOM 842 OE1 GLU A 89 5.890 14.843 9.163 1.00 0.00 O ATOM 843 OE2 GLU A 89 4.020 15.800 8.418 1.00 0.00 O ATOM 0 H GLU A 89 6.280 11.635 5.787 1.00 0.00 H new ATOM 0 HA GLU A 89 4.647 14.022 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.151 14.010 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.343 14.971 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.610 16.542 7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.143 16.151 6.271 1.00 0.00 H new ATOM 845 N ALA A 90 5.691 14.343 3.197 1.00 0.00 N ATOM 846 CA ALA A 90 6.158 14.364 1.799 1.00 0.00 C ATOM 847 C ALA A 90 7.460 15.186 1.760 1.00 0.00 C ATOM 848 O ALA A 90 7.450 16.414 1.764 1.00 0.00 O ATOM 849 CB ALA A 90 5.083 14.961 0.882 1.00 0.00 C ATOM 0 H ALA A 90 4.961 15.024 3.405 1.00 0.00 H new ATOM 0 HA ALA A 90 6.350 13.354 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.445 14.969 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.177 14.358 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.862 15.981 1.196 1.00 0.00 H new ATOM 851 N LYS A 91 8.535 14.453 2.016 1.00 0.00 N ATOM 852 CA LYS A 91 9.901 15.017 2.089 1.00 0.00 C ATOM 853 C LYS A 91 10.824 14.304 1.101 1.00 0.00 C ATOM 854 O LYS A 91 10.886 13.068 1.094 1.00 0.00 O ATOM 855 CB LYS A 91 10.413 14.856 3.525 1.00 0.00 C ATOM 856 CG LYS A 91 11.181 16.075 4.046 1.00 0.00 C ATOM 857 CD LYS A 91 12.558 16.257 3.405 1.00 0.00 C ATOM 858 CE LYS A 91 13.289 17.462 4.004 1.00 0.00 C ATOM 859 NZ LYS A 91 14.613 17.585 3.387 1.00 0.00 N ATOM 0 H LYS A 91 8.498 13.447 2.181 1.00 0.00 H new ATOM 0 HA LYS A 91 9.885 16.074 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.566 14.663 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.061 13.981 3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.586 16.971 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.302 15.982 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.153 15.356 3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.447 16.393 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.712 18.371 3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.388 17.342 5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.287 17.962 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.934 16.650 3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.558 18.231 2.574 1.00 0.00 H new ATOM 864 N LYS A 92 11.591 15.109 0.380 1.00 0.00 N ATOM 865 CA LYS A 92 12.572 14.693 -0.654 1.00 0.00 C ATOM 866 C LYS A 92 13.173 13.291 -0.469 1.00 0.00 C ATOM 867 O LYS A 92 12.818 12.383 -1.220 1.00 0.00 O ATOM 868 CB LYS A 92 13.729 15.695 -0.702 1.00 0.00 C ATOM 869 CG LYS A 92 13.359 17.092 -1.188 1.00 0.00 C ATOM 870 CD LYS A 92 14.583 17.987 -1.021 1.00 0.00 C ATOM 871 CE LYS A 92 14.425 19.353 -1.691 1.00 0.00 C ATOM 872 NZ LYS A 92 14.409 19.195 -3.153 1.00 0.00 N ATOM 0 H LYS A 92 11.557 16.122 0.493 1.00 0.00 H new ATOM 0 HA LYS A 92 11.999 14.667 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.159 15.777 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.507 15.296 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.048 17.063 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 92 12.518 17.485 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.778 18.131 0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.454 17.483 -1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.502 19.827 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.244 20.009 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.540 20.123 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.178 18.558 -3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.497 18.792 -3.449 1.00 0.00 H new ATOM 877 N GLU A 93 13.856 13.081 0.655 1.00 0.00 N ATOM 878 CA GLU A 93 14.513 11.795 0.988 1.00 0.00 C ATOM 879 C GLU A 93 13.593 10.572 0.922 1.00 0.00 C ATOM 880 O GLU A 93 13.848 9.694 0.098 1.00 0.00 O ATOM 881 CB GLU A 93 15.249 11.875 2.336 1.00 0.00 C ATOM 882 CG GLU A 93 16.572 12.644 2.260 1.00 0.00 C ATOM 883 CD GLU A 93 16.420 14.137 1.903 1.00 0.00 C ATOM 884 OE1 GLU A 93 15.514 14.771 2.477 1.00 0.00 O ATOM 885 OE2 GLU A 93 17.139 14.575 0.988 1.00 0.00 O ATOM 0 H GLU A 93 13.976 13.796 1.372 1.00 0.00 H new ATOM 0 HA GLU A 93 15.247 11.637 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.600 12.355 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.444 10.865 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.082 12.562 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 93 17.213 12.169 1.517 1.00 0.00 H new ATOM 887 N ASN A 94 12.447 10.618 1.604 1.00 0.00 N ATOM 888 CA ASN A 94 11.497 9.483 1.582 1.00 0.00 C ATOM 889 C ASN A 94 10.868 9.266 0.198 1.00 0.00 C ATOM 890 O ASN A 94 10.869 8.142 -0.295 1.00 0.00 O ATOM 891 CB ASN A 94 10.474 9.518 2.718 1.00 0.00 C ATOM 892 CG ASN A 94 9.582 10.757 2.836 1.00 0.00 C ATOM 893 OD1 ASN A 94 8.952 11.238 1.910 1.00 0.00 O ATOM 894 ND2 ASN A 94 9.420 11.216 4.049 1.00 0.00 N ATOM 0 H ASN A 94 12.149 11.411 2.172 1.00 0.00 H new ATOM 0 HA ASN A 94 12.096 8.594 1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.826 8.648 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 94 11.013 9.402 3.658 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.765 11.978 4.223 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.948 10.812 4.822 1.00 0.00 H new ATOM 898 N ILE A 95 10.558 10.372 -0.477 1.00 0.00 N ATOM 899 CA ILE A 95 9.998 10.383 -1.842 1.00 0.00 C ATOM 900 C ILE A 95 10.965 9.676 -2.815 1.00 0.00 C ATOM 901 O ILE A 95 10.595 8.667 -3.417 1.00 0.00 O ATOM 902 CB ILE A 95 9.704 11.847 -2.254 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.612 12.447 -1.356 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.355 11.991 -3.746 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.438 13.966 -1.495 1.00 0.00 C ATOM 0 H ILE A 95 10.689 11.307 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 95 9.059 9.831 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 95 10.624 12.414 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.663 11.963 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.845 12.214 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.159 13.039 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.190 11.638 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.468 11.399 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.647 14.304 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.372 14.465 -1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.171 14.209 -2.524 1.00 0.00 H new ATOM 907 N ILE A 96 12.215 10.140 -2.846 1.00 0.00 N ATOM 908 CA ILE A 96 13.286 9.593 -3.707 1.00 0.00 C ATOM 909 C ILE A 96 13.429 8.070 -3.455 1.00 0.00 C ATOM 910 O ILE A 96 13.139 7.280 -4.356 1.00 0.00 O ATOM 911 CB ILE A 96 14.608 10.358 -3.483 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.435 11.842 -3.857 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.767 9.754 -4.297 1.00 0.00 C ATOM 914 CD1 ILE A 96 15.501 12.766 -3.241 1.00 0.00 C ATOM 0 H ILE A 96 12.526 10.920 -2.267 1.00 0.00 H new ATOM 0 HA ILE A 96 13.021 9.731 -4.755 1.00 0.00 H new ATOM 0 HB ILE A 96 14.857 10.271 -2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 96 14.466 11.940 -4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.448 12.176 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.678 10.322 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.919 8.717 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.526 9.795 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 96 15.313 13.794 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.456 12.699 -2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.490 12.460 -3.583 1.00 0.00 H new ATOM 916 N ALA A 97 13.626 7.720 -2.185 1.00 0.00 N ATOM 917 CA ALA A 97 13.780 6.324 -1.722 1.00 0.00 C ATOM 918 C ALA A 97 12.642 5.394 -2.196 1.00 0.00 C ATOM 919 O ALA A 97 12.892 4.389 -2.858 1.00 0.00 O ATOM 920 CB ALA A 97 13.894 6.306 -0.194 1.00 0.00 C ATOM 0 H ALA A 97 13.685 8.403 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 97 14.692 5.931 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.008 5.278 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.762 6.890 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.994 6.738 0.243 1.00 0.00 H new ATOM 922 N ALA A 98 11.408 5.847 -1.988 1.00 0.00 N ATOM 923 CA ALA A 98 10.191 5.125 -2.377 1.00 0.00 C ATOM 924 C ALA A 98 10.059 4.919 -3.895 1.00 0.00 C ATOM 925 O ALA A 98 9.992 3.782 -4.368 1.00 0.00 O ATOM 926 CB ALA A 98 8.983 5.878 -1.820 1.00 0.00 C ATOM 0 H ALA A 98 11.218 6.742 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 98 10.246 4.122 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.068 5.356 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.055 5.928 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.963 6.888 -2.229 1.00 0.00 H new ATOM 928 N ALA A 99 10.207 6.016 -4.635 1.00 0.00 N ATOM 929 CA ALA A 99 10.114 6.038 -6.109 1.00 0.00 C ATOM 930 C ALA A 99 11.131 5.100 -6.788 1.00 0.00 C ATOM 931 O ALA A 99 10.737 4.136 -7.439 1.00 0.00 O ATOM 932 CB ALA A 99 10.279 7.482 -6.606 1.00 0.00 C ATOM 0 H ALA A 99 10.398 6.932 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 99 9.129 5.662 -6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.211 7.502 -7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.492 8.105 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.251 7.865 -6.296 1.00 0.00 H new ATOM 934 N GLN A 100 12.402 5.237 -6.394 1.00 0.00 N ATOM 935 CA GLN A 100 13.507 4.420 -6.957 1.00 0.00 C ATOM 936 C GLN A 100 13.400 2.913 -6.658 1.00 0.00 C ATOM 937 O GLN A 100 13.946 2.094 -7.391 1.00 0.00 O ATOM 938 CB GLN A 100 14.881 4.987 -6.562 1.00 0.00 C ATOM 939 CG GLN A 100 15.165 4.936 -5.056 1.00 0.00 C ATOM 940 CD GLN A 100 16.519 5.538 -4.700 1.00 0.00 C ATOM 941 OE1 GLN A 100 16.743 6.739 -4.694 1.00 0.00 O ATOM 942 NE2 GLN A 100 17.470 4.690 -4.364 1.00 0.00 N ATOM 0 H GLN A 100 12.702 5.906 -5.685 1.00 0.00 H new ATOM 0 HA GLN A 100 13.403 4.498 -8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 100 15.657 4.430 -7.087 1.00 0.00 H new ATOM 0 HB3 GLN A 100 14.947 6.021 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.380 5.472 -4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 100 15.130 3.901 -4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 100 17.284 3.687 -4.369 1.00 0.00 H new ATOM 0 HE22 GLN A 100 18.392 5.037 -4.099 1.00 0.00 H new ATOM 946 N ALA A 101 12.713 2.582 -5.560 1.00 0.00 N ATOM 947 CA ALA A 101 12.506 1.190 -5.117 1.00 0.00 C ATOM 948 C ALA A 101 11.285 0.475 -5.742 1.00 0.00 C ATOM 949 O ALA A 101 11.086 -0.714 -5.476 1.00 0.00 O ATOM 950 CB ALA A 101 12.421 1.176 -3.588 1.00 0.00 C ATOM 0 H ALA A 101 12.280 3.273 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 101 13.362 0.617 -5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.268 0.154 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.348 1.566 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.586 1.798 -3.264 1.00 0.00 H new ATOM 952 N GLY A 102 10.476 1.210 -6.515 1.00 0.00 N ATOM 953 CA GLY A 102 9.284 0.662 -7.196 1.00 0.00 C ATOM 954 C GLY A 102 7.905 1.149 -6.713 1.00 0.00 C ATOM 955 O GLY A 102 6.890 0.709 -7.252 1.00 0.00 O ATOM 0 H GLY A 102 10.625 2.204 -6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.369 0.890 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.310 -0.423 -7.100 1.00 0.00 H new ATOM 957 N ALA A 103 7.866 2.071 -5.742 1.00 0.00 N ATOM 958 CA ALA A 103 6.589 2.595 -5.204 1.00 0.00 C ATOM 959 C ALA A 103 5.702 3.305 -6.234 1.00 0.00 C ATOM 960 O ALA A 103 6.028 4.368 -6.768 1.00 0.00 O ATOM 961 CB ALA A 103 6.807 3.507 -3.997 1.00 0.00 C ATOM 0 H ALA A 103 8.698 2.473 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 103 6.049 1.701 -4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.844 3.868 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.306 2.949 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.426 4.355 -4.289 1.00 0.00 H new ATOM 963 N SER A 104 4.509 2.731 -6.391 1.00 0.00 N ATOM 964 CA SER A 104 3.454 3.218 -7.305 1.00 0.00 C ATOM 965 C SER A 104 2.907 4.599 -6.907 1.00 0.00 C ATOM 966 O SER A 104 2.383 5.331 -7.753 1.00 0.00 O ATOM 967 CB SER A 104 2.281 2.238 -7.330 1.00 0.00 C ATOM 968 OG SER A 104 2.756 0.918 -7.608 1.00 0.00 O ATOM 0 H SER A 104 4.234 1.894 -5.877 1.00 0.00 H new ATOM 0 HA SER A 104 3.921 3.301 -8.286 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.763 2.253 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.559 2.541 -8.088 1.00 0.00 H new ATOM 0 HG SER A 104 2.466 0.648 -8.504 1.00 0.00 H new ATOM 971 N GLY A 105 2.922 4.872 -5.605 1.00 0.00 N ATOM 972 CA GLY A 105 2.466 6.142 -5.008 1.00 0.00 C ATOM 973 C GLY A 105 2.759 6.166 -3.500 1.00 0.00 C ATOM 974 O GLY A 105 3.168 5.160 -2.914 1.00 0.00 O ATOM 0 H GLY A 105 3.259 4.205 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.966 6.979 -5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.397 6.267 -5.178 1.00 0.00 H new ATOM 976 N TYR A 106 2.558 7.342 -2.920 1.00 0.00 N ATOM 977 CA TYR A 106 2.773 7.564 -1.479 1.00 0.00 C ATOM 978 C TYR A 106 1.740 8.525 -0.873 1.00 0.00 C ATOM 979 O TYR A 106 1.549 9.640 -1.347 1.00 0.00 O ATOM 980 CB TYR A 106 4.210 8.001 -1.150 1.00 0.00 C ATOM 981 CG TYR A 106 4.615 9.397 -1.668 1.00 0.00 C ATOM 982 CD1 TYR A 106 5.151 9.508 -2.969 1.00 0.00 C ATOM 983 CD2 TYR A 106 4.415 10.516 -0.837 1.00 0.00 C ATOM 984 CE1 TYR A 106 5.481 10.793 -3.457 1.00 0.00 C ATOM 985 CE2 TYR A 106 4.743 11.793 -1.331 1.00 0.00 C ATOM 986 CZ TYR A 106 5.271 11.916 -2.628 1.00 0.00 C ATOM 987 OH TYR A 106 5.587 13.145 -3.108 1.00 0.00 O ATOM 0 H TYR A 106 2.243 8.171 -3.424 1.00 0.00 H new ATOM 0 HA TYR A 106 2.625 6.593 -1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.338 7.983 -0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.899 7.265 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.306 8.630 -3.579 1.00 0.00 H new ATOM 0 HD2 TYR A 106 4.018 10.397 0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.888 10.914 -4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 106 4.590 12.670 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 106 5.389 13.823 -2.428 1.00 0.00 H new ATOM 990 N VAL A 107 1.139 8.077 0.218 1.00 0.00 N ATOM 991 CA VAL A 107 0.131 8.876 0.940 1.00 0.00 C ATOM 992 C VAL A 107 0.659 9.301 2.318 1.00 0.00 C ATOM 993 O VAL A 107 1.351 8.555 3.006 1.00 0.00 O ATOM 994 CB VAL A 107 -1.249 8.185 0.933 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.447 7.136 2.035 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.355 9.244 1.026 1.00 0.00 C ATOM 0 H VAL A 107 1.324 7.164 0.633 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.044 9.812 0.410 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.302 7.639 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.444 6.704 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.701 6.349 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.337 7.608 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.329 8.754 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.239 9.811 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.284 9.920 0.174 1.00 0.00 H new ATOM 998 N VAL A 108 0.608 10.613 2.488 1.00 0.00 N ATOM 999 CA VAL A 108 1.037 11.279 3.736 1.00 0.00 C ATOM 1000 C VAL A 108 -0.021 11.130 4.836 1.00 0.00 C ATOM 1001 O VAL A 108 -1.192 11.471 4.660 1.00 0.00 O ATOM 1002 CB VAL A 108 1.393 12.755 3.457 1.00 0.00 C ATOM 1003 CG1 VAL A 108 1.871 13.493 4.714 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.483 12.870 2.391 1.00 0.00 C ATOM 0 H VAL A 108 0.270 11.257 1.773 1.00 0.00 H new ATOM 0 HA VAL A 108 1.937 10.788 4.106 1.00 0.00 H new ATOM 0 HB VAL A 108 0.472 13.219 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.108 14.526 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.084 13.475 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.761 13.002 5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.712 13.921 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.381 12.355 2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.134 12.416 1.464 1.00 0.00 H new ATOM 1006 N LYS A 109 0.440 10.566 5.945 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.400 10.330 7.144 1.00 0.00 C ATOM 1008 C LYS A 109 -0.337 11.526 8.116 1.00 0.00 C ATOM 1009 O LYS A 109 0.757 12.056 8.323 1.00 0.00 O ATOM 1010 CB LYS A 109 -0.028 8.991 7.802 1.00 0.00 C ATOM 1011 CG LYS A 109 1.454 8.844 8.171 1.00 0.00 C ATOM 1012 CD LYS A 109 1.752 7.423 8.641 1.00 0.00 C ATOM 1013 CE LYS A 109 3.248 7.260 8.928 1.00 0.00 C ATOM 1014 NZ LYS A 109 3.510 5.880 9.341 1.00 0.00 N ATOM 0 H LYS A 109 1.405 10.254 6.053 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.443 10.252 6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.626 8.867 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.301 8.182 7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.075 9.085 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.711 9.554 8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.176 7.202 9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.441 6.708 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.830 7.503 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.558 7.952 9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.489 5.800 9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.854 5.616 10.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.373 5.243 8.530 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.487 11.977 8.646 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.852 11.449 8.413 1.00 0.00 C ATOM 1021 C PRO A 110 -3.425 11.847 7.038 1.00 0.00 C ATOM 1022 O PRO A 110 -3.338 12.991 6.615 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.722 12.042 9.521 1.00 0.00 C ATOM 1024 CG PRO A 110 -2.717 12.483 10.584 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.516 12.935 9.765 1.00 0.00 C ATOM 0 HA PRO A 110 -2.831 10.359 8.423 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.313 12.883 9.158 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.423 11.306 9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.111 13.292 11.199 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.460 11.666 11.258 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.632 13.960 9.414 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.596 12.900 10.348 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.132 10.875 6.465 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.785 11.011 5.148 1.00 0.00 C ATOM 1028 C PHE A 111 -6.275 10.642 5.272 1.00 0.00 C ATOM 1029 O PHE A 111 -6.652 9.770 6.053 1.00 0.00 O ATOM 1030 CB PHE A 111 -4.078 10.183 4.072 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.086 8.673 4.331 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.160 8.110 5.230 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -5.022 7.876 3.633 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.202 6.723 5.474 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -5.038 6.482 3.847 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.133 5.918 4.786 1.00 0.00 C ATOM 0 H PHE A 111 -4.274 9.962 6.897 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.710 12.050 4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.553 10.377 3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.045 10.520 3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.429 8.732 5.725 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.718 8.330 2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.523 6.278 6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.728 5.852 3.305 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.159 4.855 4.976 1.00 0.00 H new ATOM 1038 N THR A 112 -7.087 11.319 4.459 1.00 0.00 N ATOM 1039 CA THR A 112 -8.553 11.123 4.423 1.00 0.00 C ATOM 1040 C THR A 112 -8.948 10.174 3.279 1.00 0.00 C ATOM 1041 O THR A 112 -8.140 9.891 2.401 1.00 0.00 O ATOM 1042 CB THR A 112 -9.296 12.451 4.191 1.00 0.00 C ATOM 1043 OG1 THR A 112 -8.993 12.962 2.889 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.032 13.486 5.295 1.00 0.00 C ATOM 0 H THR A 112 -6.754 12.023 3.801 1.00 0.00 H new ATOM 0 HA THR A 112 -8.832 10.703 5.389 1.00 0.00 H new ATOM 0 HB THR A 112 -10.365 12.244 4.241 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.021 13.029 2.782 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.583 14.401 5.076 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.360 13.086 6.255 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.965 13.707 5.339 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.226 9.770 3.256 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.770 8.925 2.169 1.00 0.00 C ATOM 1049 C ALA A 113 -10.557 9.578 0.795 1.00 0.00 C ATOM 1050 O ALA A 113 -10.118 8.908 -0.147 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.265 8.664 2.402 1.00 0.00 C ATOM 0 H ALA A 113 -10.907 10.012 3.976 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.233 7.976 2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.655 8.042 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.401 8.152 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.801 9.613 2.420 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.669 10.910 0.761 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.452 11.727 -0.447 1.00 0.00 C ATOM 1055 C ALA A 114 -8.986 11.672 -0.910 1.00 0.00 C ATOM 1056 O ALA A 114 -8.717 11.238 -2.021 1.00 0.00 O ATOM 1057 CB ALA A 114 -10.889 13.172 -0.157 1.00 0.00 C ATOM 0 H ALA A 114 -10.916 11.463 1.582 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.053 11.323 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.732 13.785 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.945 13.186 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.300 13.572 0.668 1.00 0.00 H new ATOM 1059 N THR A 115 -8.071 11.905 0.032 1.00 0.00 N ATOM 1060 CA THR A 115 -6.606 11.853 -0.205 1.00 0.00 C ATOM 1061 C THR A 115 -6.223 10.453 -0.732 1.00 0.00 C ATOM 1062 O THR A 115 -5.602 10.336 -1.784 1.00 0.00 O ATOM 1063 CB THR A 115 -5.834 12.167 1.082 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.419 13.299 1.742 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.360 12.491 0.774 1.00 0.00 C ATOM 0 H THR A 115 -8.316 12.138 0.994 1.00 0.00 H new ATOM 0 HA THR A 115 -6.341 12.606 -0.947 1.00 0.00 H new ATOM 0 HB THR A 115 -5.885 11.287 1.724 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.921 13.492 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.834 12.710 1.703 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.894 11.635 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.308 13.357 0.115 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.767 9.432 -0.061 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.560 8.016 -0.404 1.00 0.00 C ATOM 1070 C LEU A 116 -7.032 7.736 -1.850 1.00 0.00 C ATOM 1071 O LEU A 116 -6.203 7.394 -2.691 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.291 7.135 0.616 1.00 0.00 C ATOM 1073 CG LEU A 116 -7.080 5.630 0.416 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.604 5.211 0.492 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.878 4.877 1.473 1.00 0.00 C ATOM 0 H LEU A 116 -7.373 9.566 0.748 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.497 7.778 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.958 7.407 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.358 7.350 0.566 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.424 5.383 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.523 4.134 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.039 5.728 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.201 5.473 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.736 3.804 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.534 5.169 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.936 5.118 1.370 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.297 8.057 -2.170 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.832 7.839 -3.530 1.00 0.00 C ATOM 1079 C GLU A 117 -8.070 8.579 -4.641 1.00 0.00 C ATOM 1080 O GLU A 117 -7.833 7.994 -5.700 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.359 8.004 -3.647 1.00 0.00 C ATOM 1082 CG GLU A 117 -10.956 9.411 -3.495 1.00 0.00 C ATOM 1083 CD GLU A 117 -10.816 10.282 -4.748 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -11.245 9.821 -5.831 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -10.333 11.423 -4.590 1.00 0.00 O ATOM 0 H GLU A 117 -8.964 8.464 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.640 6.780 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.661 7.619 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.821 7.365 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.013 9.322 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.470 9.913 -2.659 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.605 9.792 -4.340 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.791 10.597 -5.286 1.00 0.00 C ATOM 1089 C GLU A 118 -5.551 9.817 -5.752 1.00 0.00 C ATOM 1090 O GLU A 118 -5.376 9.565 -6.937 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.367 11.921 -4.641 1.00 0.00 C ATOM 1092 CG GLU A 118 -7.528 12.914 -4.531 1.00 0.00 C ATOM 1093 CD GLU A 118 -7.149 14.139 -3.698 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -6.495 15.037 -4.260 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -7.534 14.159 -2.506 1.00 0.00 O ATOM 0 H GLU A 118 -7.773 10.252 -3.445 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.409 10.811 -6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -5.964 11.725 -3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.565 12.368 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -7.830 13.232 -5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.388 12.419 -4.080 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.833 9.264 -4.760 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.631 8.448 -5.007 1.00 0.00 C ATOM 1099 C LYS A 119 -3.966 7.143 -5.750 1.00 0.00 C ATOM 1100 O LYS A 119 -3.361 6.863 -6.789 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.896 8.135 -3.686 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.363 9.387 -2.977 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.347 10.203 -3.782 1.00 0.00 C ATOM 1104 CE LYS A 119 -0.011 9.487 -3.994 1.00 0.00 C ATOM 1105 NZ LYS A 119 0.906 10.380 -4.721 1.00 0.00 N ATOM 0 H LYS A 119 -5.066 9.368 -3.772 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.972 9.036 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.576 7.608 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.065 7.461 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.206 10.031 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.901 9.085 -2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.777 10.445 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.165 11.148 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.421 9.206 -3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.163 8.566 -4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.602 9.811 -5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.364 10.965 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.400 10.996 -4.044 1.00 0.00 H new ATOM 1110 N LEU A 120 -5.022 6.468 -5.295 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.512 5.215 -5.915 1.00 0.00 C ATOM 1112 C LEU A 120 -5.793 5.381 -7.420 1.00 0.00 C ATOM 1113 O LEU A 120 -5.264 4.631 -8.236 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.784 4.713 -5.208 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.538 4.299 -3.756 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -7.880 4.044 -3.066 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.653 3.060 -3.626 1.00 0.00 C ATOM 0 H LEU A 120 -5.569 6.766 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.717 4.479 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.540 5.497 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.188 3.863 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.005 5.120 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.707 3.749 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.479 4.954 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.411 3.247 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.517 2.819 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.127 2.219 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.682 3.257 -4.081 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.496 6.468 -7.767 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.830 6.841 -9.161 1.00 0.00 C ATOM 1121 C ASN A 121 -5.578 6.942 -10.056 1.00 0.00 C ATOM 1122 O ASN A 121 -5.463 6.254 -11.066 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.568 8.184 -9.168 1.00 0.00 C ATOM 1124 CG ASN A 121 -8.986 8.129 -8.595 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.528 7.110 -8.188 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.629 9.280 -8.549 1.00 0.00 N ATOM 0 H ASN A 121 -6.858 7.129 -7.079 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.464 6.053 -9.568 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -6.986 8.907 -8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.617 8.552 -10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.577 9.320 -8.174 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -9.178 10.130 -8.888 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.622 7.736 -9.574 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.320 7.965 -10.237 1.00 0.00 C ATOM 1132 C LYS A 122 -2.585 6.632 -10.503 1.00 0.00 C ATOM 1133 O LYS A 122 -2.119 6.375 -11.614 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.484 8.884 -9.339 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.253 9.443 -10.056 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.367 10.288 -9.127 1.00 0.00 C ATOM 1137 CE LYS A 122 0.362 9.458 -8.066 1.00 0.00 C ATOM 1138 NZ LYS A 122 1.376 8.597 -8.695 1.00 0.00 N ATOM 0 H LYS A 122 -4.723 8.250 -8.699 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.478 8.436 -11.207 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.105 9.710 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.166 8.331 -8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.667 8.619 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.574 10.052 -10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.368 10.825 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.983 11.038 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.836 10.119 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.355 8.846 -7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.995 8.196 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.905 7.826 -9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.946 9.160 -9.359 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.621 5.748 -9.506 1.00 0.00 N ATOM 1144 CA ILE A 123 -2.021 4.395 -9.580 1.00 0.00 C ATOM 1145 C ILE A 123 -2.727 3.547 -10.651 1.00 0.00 C ATOM 1146 O ILE A 123 -2.048 2.974 -11.504 1.00 0.00 O ATOM 1147 CB ILE A 123 -2.016 3.750 -8.177 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -1.129 4.603 -7.242 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.478 2.318 -8.231 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.342 4.369 -5.744 1.00 0.00 C ATOM 0 H ILE A 123 -3.070 5.943 -8.611 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.980 4.463 -9.897 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.038 3.712 -7.801 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.084 4.404 -7.479 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.310 5.656 -7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.486 1.888 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.107 1.718 -8.888 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.458 2.327 -8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.673 5.015 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.375 4.598 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.130 3.327 -5.505 1.00 0.00 H new ATOM 1152 N PHE A 124 -4.063 3.545 -10.659 1.00 0.00 N ATOM 1153 CA PHE A 124 -4.857 2.813 -11.673 1.00 0.00 C ATOM 1154 C PHE A 124 -4.559 3.288 -13.107 1.00 0.00 C ATOM 1155 O PHE A 124 -4.469 2.466 -14.022 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.361 2.858 -11.383 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.751 2.136 -10.085 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -6.077 0.960 -9.683 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.612 2.811 -9.182 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -6.199 0.494 -8.358 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.745 2.342 -7.866 1.00 0.00 C ATOM 1162 CZ PHE A 124 -7.010 1.210 -7.454 1.00 0.00 C ATOM 0 H PHE A 124 -4.629 4.044 -9.972 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.542 1.772 -11.601 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.681 3.898 -11.322 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -6.899 2.407 -12.217 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.468 0.418 -10.392 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.163 3.682 -9.506 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.679 -0.398 -8.040 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.405 2.844 -7.174 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.070 0.886 -6.426 1.00 0.00 H new ATOM 1164 N GLU A 125 -4.301 4.591 -13.239 1.00 0.00 N ATOM 1165 CA GLU A 125 -3.907 5.236 -14.507 1.00 0.00 C ATOM 1166 C GLU A 125 -2.560 4.670 -14.995 1.00 0.00 C ATOM 1167 O GLU A 125 -2.462 4.151 -16.098 1.00 0.00 O ATOM 1168 CB GLU A 125 -3.837 6.760 -14.327 1.00 0.00 C ATOM 1169 CG GLU A 125 -5.223 7.373 -14.132 1.00 0.00 C ATOM 1170 CD GLU A 125 -5.180 8.854 -13.744 1.00 0.00 C ATOM 1171 OE1 GLU A 125 -4.864 9.680 -14.628 1.00 0.00 O ATOM 1172 OE2 GLU A 125 -5.483 9.148 -12.560 1.00 0.00 O ATOM 0 H GLU A 125 -4.359 5.244 -12.458 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.659 5.020 -15.266 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -3.211 6.996 -13.466 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -3.361 7.208 -15.200 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -5.795 7.262 -15.053 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -5.753 6.817 -13.359 1.00 0.00 H new ATOM 1174 N LYS A 126 -1.599 4.633 -14.067 1.00 0.00 N ATOM 1175 CA LYS A 126 -0.247 4.079 -14.293 1.00 0.00 C ATOM 1176 C LYS A 126 -0.296 2.584 -14.680 1.00 0.00 C ATOM 1177 O LYS A 126 0.420 2.132 -15.563 1.00 0.00 O ATOM 1178 CB LYS A 126 0.613 4.241 -13.034 1.00 0.00 C ATOM 1179 CG LYS A 126 0.953 5.698 -12.713 1.00 0.00 C ATOM 1180 CD LYS A 126 1.768 5.854 -11.417 1.00 0.00 C ATOM 1181 CE LYS A 126 3.187 5.268 -11.523 1.00 0.00 C ATOM 1182 NZ LYS A 126 3.931 5.543 -10.276 1.00 0.00 N ATOM 0 H LYS A 126 -1.734 4.991 -13.121 1.00 0.00 H new ATOM 0 HA LYS A 126 0.193 4.636 -15.120 1.00 0.00 H new ATOM 0 HB2 LYS A 126 0.088 3.803 -12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.538 3.679 -13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 126 1.516 6.125 -13.543 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.029 6.270 -12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 126 1.836 6.912 -11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 126 1.239 5.363 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 126 3.135 4.193 -11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 126 3.709 5.705 -12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 4.712 4.863 -10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.314 6.509 -10.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 3.290 5.450 -9.462 1.00 0.00 H new ATOM 1187 N LEU A 127 -1.197 1.857 -14.004 1.00 0.00 N ATOM 1188 CA LEU A 127 -1.455 0.423 -14.213 1.00 0.00 C ATOM 1189 C LEU A 127 -2.527 0.135 -15.288 1.00 0.00 C ATOM 1190 O LEU A 127 -3.040 -0.986 -15.382 1.00 0.00 O ATOM 1191 CB LEU A 127 -1.875 -0.211 -12.871 1.00 0.00 C ATOM 1192 CG LEU A 127 -0.748 -0.664 -11.922 1.00 0.00 C ATOM 1193 CD1 LEU A 127 0.069 -1.801 -12.540 1.00 0.00 C ATOM 1194 CD2 LEU A 127 0.148 0.471 -11.428 1.00 0.00 C ATOM 0 H LEU A 127 -1.784 2.262 -13.275 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.530 -0.018 -14.583 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.497 0.508 -12.338 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -2.502 -1.076 -13.088 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.247 -1.041 -11.029 1.00 0.00 H new ATOM 0 HD11 LEU A 127 0.857 -2.100 -11.849 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.583 -2.652 -12.738 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.516 -1.462 -13.474 1.00 0.00 H new ATOM 0 HD21 LEU A 127 0.914 0.068 -10.766 1.00 0.00 H new ATOM 0 HD22 LEU A 127 0.623 0.956 -12.280 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -0.454 1.200 -10.885 1.00 0.00 H new ATOM 1196 N GLY A 128 -2.830 1.134 -16.124 1.00 0.00 N ATOM 1197 CA GLY A 128 -3.837 1.052 -17.198 1.00 0.00 C ATOM 1198 C GLY A 128 -5.274 1.128 -16.639 1.00 0.00 C ATOM 1199 O GLY A 128 -5.996 2.094 -16.893 1.00 0.00 O ATOM 0 H GLY A 128 -2.374 2.045 -16.075 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -3.679 1.864 -17.908 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -3.709 0.119 -17.747 1.00 0.00 H new ATOM 1201 N MET A 129 -5.654 0.070 -15.933 1.00 0.00 N ATOM 1202 CA MET A 129 -6.965 -0.156 -15.272 1.00 0.00 C ATOM 1203 C MET A 129 -7.979 1.013 -15.228 1.00 0.00 C ATOM 1204 O MET A 129 -8.825 1.062 -16.153 1.00 0.00 O ATOM 1205 CB MET A 129 -6.763 -0.735 -13.876 1.00 0.00 C ATOM 1206 CG MET A 129 -6.333 -2.204 -13.870 1.00 0.00 C ATOM 1207 SD MET A 129 -6.324 -2.938 -12.193 1.00 0.00 S ATOM 1208 CE MET A 129 -4.901 -2.162 -11.471 1.00 0.00 C ATOM 1209 OXT MET A 129 -8.034 1.723 -14.198 1.00 0.00 O ATOM 0 H MET A 129 -5.021 -0.717 -15.788 1.00 0.00 H new ATOM 0 HA MET A 129 -7.449 -0.865 -15.943 1.00 0.00 H new ATOM 0 HB2 MET A 129 -6.010 -0.144 -13.354 1.00 0.00 H new ATOM 0 HB3 MET A 129 -7.692 -0.636 -13.314 1.00 0.00 H new ATOM 0 HG2 MET A 129 -7.006 -2.777 -14.508 1.00 0.00 H new ATOM 0 HG3 MET A 129 -5.336 -2.287 -14.303 1.00 0.00 H new ATOM 0 HE1 MET A 129 -5.172 -1.728 -10.508 1.00 0.00 H new ATOM 0 HE2 MET A 129 -4.116 -2.904 -11.326 1.00 0.00 H new ATOM 0 HE3 MET A 129 -4.540 -1.376 -12.134 1.00 0.00 H new TER 1211 MET A 129