USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1000 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 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -127:sc= -0.0867 (180deg=-0.495) USER MOD Single : A 23 ASN : amide:sc= 0.266 K(o=0.27,f=-3.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.808 X(o=-0.81,f=-1.1) USER MOD Single : A 32 ASN : amide:sc= -1.26 K(o=-1.3,f=-7!) USER MOD Single : A 44 ASN : amide:sc= -0.223! K(o=-0.22!,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.089) USER MOD Single : A 47 GLN : amide:sc= -0.0885 K(o=-0.089,f=-0.85) USER MOD Single : A 51 TYR OH : rot 150:sc= -1.33 USER MOD Single : A 56 SER OG : rot -160:sc= -2.13 USER MOD Single : A 59 ASN : amide:sc= 1.16 K(o=1.2,f=-1.4) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.67! C(o=-2.2!,f=-1.7!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 77:sc= 1.12 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 165:sc= -0.715 (180deg=-0.88) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -7.32! C(o=-7.3!,f=-18!) USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 104 SER OG : rot -27:sc= -1.75! USER MOD Single : A 106 TYR OH : rot 180:sc= -3.65! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -172:sc= -5.59! (180deg=-6.32!) USER MOD Single : A 121 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.6!) USER MOD Single : A 122 LYS NZ :NH3+ -148:sc= -0.0226 (180deg=-0.601) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.510 0.242 8.687 1.00 0.00 N ATOM 2 CA ALA A 2 -13.381 1.211 8.751 1.00 0.00 C ATOM 3 C ALA A 2 -13.825 2.553 8.157 1.00 0.00 C ATOM 4 O ALA A 2 -14.821 2.637 7.465 1.00 0.00 O ATOM 5 CB ALA A 2 -12.190 0.660 7.961 1.00 0.00 C ATOM 0 HA ALA A 2 -13.085 1.359 9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.363 1.369 8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.877 -0.291 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.481 0.510 6.921 1.00 0.00 H new ATOM 11 N ASP A 3 -13.098 3.604 8.430 1.00 0.00 N ATOM 12 CA ASP A 3 -13.478 4.943 7.893 1.00 0.00 C ATOM 13 C ASP A 3 -13.850 4.827 6.413 1.00 0.00 C ATOM 14 O ASP A 3 -13.348 3.983 5.701 1.00 0.00 O ATOM 15 CB ASP A 3 -12.298 5.906 8.047 1.00 0.00 C ATOM 16 CG ASP A 3 -12.633 6.961 9.104 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.641 7.630 8.945 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.878 7.081 10.054 1.00 0.00 O ATOM 0 H ASP A 3 -12.255 3.592 9.004 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.336 5.321 8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.402 5.357 8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.081 6.388 7.093 1.00 0.00 H new ATOM 23 N LYS A 4 -14.724 5.674 5.943 1.00 0.00 N ATOM 24 CA LYS A 4 -15.123 5.616 4.509 1.00 0.00 C ATOM 25 C LYS A 4 -14.198 6.513 3.690 1.00 0.00 C ATOM 26 O LYS A 4 -14.455 6.807 2.540 1.00 0.00 O ATOM 27 CB LYS A 4 -16.564 6.097 4.348 1.00 0.00 C ATOM 28 CG LYS A 4 -17.524 5.014 4.852 1.00 0.00 C ATOM 29 CD LYS A 4 -17.991 4.143 3.676 1.00 0.00 C ATOM 30 CE LYS A 4 -18.898 4.951 2.738 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.136 4.171 2.453 1.00 0.00 N ATOM 0 H LYS A 4 -15.179 6.404 6.491 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.047 4.587 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.715 7.020 4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.769 6.321 3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.028 4.395 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.384 5.475 5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.127 3.771 3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.529 3.272 4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.154 5.906 3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.373 5.173 1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.752 4.717 1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.882 3.270 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.639 3.981 3.343 1.00 0.00 H new ATOM 45 N GLU A 5 -13.124 6.958 4.279 1.00 0.00 N ATOM 46 CA GLU A 5 -12.183 7.843 3.541 1.00 0.00 C ATOM 47 C GLU A 5 -10.771 7.637 4.084 1.00 0.00 C ATOM 48 O GLU A 5 -10.098 8.581 4.446 1.00 0.00 O ATOM 49 CB GLU A 5 -12.589 9.305 3.748 1.00 0.00 C ATOM 50 CG GLU A 5 -13.787 9.641 2.860 1.00 0.00 C ATOM 51 CD GLU A 5 -14.106 11.132 2.978 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.294 11.592 4.092 1.00 0.00 O ATOM 53 OE2 GLU A 5 -14.157 11.790 1.951 1.00 0.00 O ATOM 0 H GLU A 5 -12.857 6.747 5.241 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.212 7.601 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.841 9.477 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.752 9.962 3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.568 9.386 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.652 9.048 3.158 1.00 0.00 H new ATOM 60 N LEU A 6 -10.310 6.417 4.151 1.00 0.00 N ATOM 61 CA LEU A 6 -8.948 6.190 4.675 1.00 0.00 C ATOM 62 C LEU A 6 -7.938 6.631 3.616 1.00 0.00 C ATOM 63 O LEU A 6 -7.785 6.007 2.591 1.00 0.00 O ATOM 64 CB LEU A 6 -8.779 4.711 5.007 1.00 0.00 C ATOM 65 CG LEU A 6 -7.416 4.467 5.653 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.309 5.236 6.974 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.260 2.977 5.929 1.00 0.00 C ATOM 0 H LEU A 6 -10.818 5.580 3.867 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.783 6.768 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.572 4.390 5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.871 4.114 4.100 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.633 4.811 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.333 5.053 7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.427 6.303 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.091 4.900 7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.290 2.792 6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.051 2.647 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.327 2.424 4.992 1.00 0.00 H new ATOM 79 N LYS A 7 -7.273 7.724 3.848 1.00 0.00 N ATOM 80 CA LYS A 7 -6.298 8.246 2.849 1.00 0.00 C ATOM 81 C LYS A 7 -5.328 7.149 2.384 1.00 0.00 C ATOM 82 O LYS A 7 -4.412 6.771 3.091 1.00 0.00 O ATOM 83 CB LYS A 7 -5.512 9.393 3.482 1.00 0.00 C ATOM 84 CG LYS A 7 -6.245 10.713 3.225 1.00 0.00 C ATOM 85 CD LYS A 7 -5.494 11.865 3.906 1.00 0.00 C ATOM 86 CE LYS A 7 -5.488 11.666 5.425 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.536 12.993 6.099 1.00 0.00 N ATOM 0 H LYS A 7 -7.362 8.286 4.695 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.847 8.596 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.404 9.227 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.507 9.435 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.317 10.897 2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.264 10.654 3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.471 11.912 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.968 12.815 3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.343 11.062 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.592 11.124 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.532 12.859 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.706 13.554 5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.403 13.494 5.818 1.00 0.00 H new ATOM 101 N PHE A 8 -5.509 6.662 1.178 1.00 0.00 N ATOM 102 CA PHE A 8 -4.592 5.625 0.635 1.00 0.00 C ATOM 103 C PHE A 8 -3.584 6.314 -0.284 1.00 0.00 C ATOM 104 O PHE A 8 -3.875 7.342 -0.860 1.00 0.00 O ATOM 105 CB PHE A 8 -5.376 4.613 -0.222 1.00 0.00 C ATOM 106 CG PHE A 8 -6.195 3.672 0.634 1.00 0.00 C ATOM 107 CD1 PHE A 8 -5.637 2.476 1.106 1.00 0.00 C ATOM 108 CD2 PHE A 8 -7.520 3.989 0.946 1.00 0.00 C ATOM 109 CE1 PHE A 8 -6.404 1.604 1.893 1.00 0.00 C ATOM 110 CE2 PHE A 8 -8.286 3.117 1.732 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.727 1.926 2.204 1.00 0.00 C ATOM 0 H PHE A 8 -6.259 6.945 0.548 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.105 5.111 1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.034 5.148 -0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.681 4.037 -0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.615 2.225 0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.955 4.908 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.972 0.684 2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.309 3.366 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.318 1.255 2.809 1.00 0.00 H new ATOM 121 N LEU A 9 -2.420 5.747 -0.451 1.00 0.00 N ATOM 122 CA LEU A 9 -1.414 6.357 -1.372 1.00 0.00 C ATOM 123 C LEU A 9 -0.929 5.281 -2.338 1.00 0.00 C ATOM 124 O LEU A 9 -0.195 4.387 -1.967 1.00 0.00 O ATOM 125 CB LEU A 9 -0.226 6.918 -0.579 1.00 0.00 C ATOM 126 CG LEU A 9 0.872 7.399 -1.547 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.290 8.388 -2.557 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.988 8.091 -0.763 1.00 0.00 C ATOM 0 H LEU A 9 -2.121 4.888 0.010 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.874 7.179 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.556 7.745 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.173 6.152 0.085 1.00 0.00 H new ATOM 0 HG LEU A 9 1.272 6.533 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.076 8.720 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.501 7.902 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.121 9.248 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.762 8.429 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.579 8.948 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.420 7.390 -0.049 1.00 0.00 H new ATOM 140 N VAL A 10 -1.335 5.357 -3.577 1.00 0.00 N ATOM 141 CA VAL A 10 -0.896 4.331 -4.562 1.00 0.00 C ATOM 142 C VAL A 10 0.362 4.827 -5.273 1.00 0.00 C ATOM 143 O VAL A 10 0.340 5.821 -5.970 1.00 0.00 O ATOM 144 CB VAL A 10 -2.005 4.081 -5.585 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.852 2.893 -5.138 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.894 5.317 -5.705 1.00 0.00 C ATOM 0 H VAL A 10 -1.949 6.083 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.680 3.397 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.553 3.868 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.642 2.715 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.223 2.006 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.297 3.108 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.681 5.130 -6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.343 5.538 -4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.293 6.167 -6.028 1.00 0.00 H new ATOM 156 N VAL A 11 1.463 4.146 -5.085 1.00 0.00 N ATOM 157 CA VAL A 11 2.731 4.578 -5.728 1.00 0.00 C ATOM 158 C VAL A 11 2.982 3.761 -7.000 1.00 0.00 C ATOM 159 O VAL A 11 3.277 2.583 -6.943 1.00 0.00 O ATOM 160 CB VAL A 11 3.893 4.362 -4.746 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.099 5.227 -5.136 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.444 4.736 -3.330 1.00 0.00 C ATOM 0 H VAL A 11 1.534 3.306 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 11 2.658 5.633 -5.992 1.00 0.00 H new ATOM 0 HB VAL A 11 4.185 3.312 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.911 5.059 -4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.430 4.958 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.813 6.279 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.269 4.582 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.142 5.783 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.602 4.109 -3.038 1.00 0.00 H new ATOM 172 N ASP A 12 2.880 4.375 -8.149 1.00 0.00 N ATOM 173 CA ASP A 12 3.127 3.630 -9.420 1.00 0.00 C ATOM 174 C ASP A 12 3.283 4.617 -10.575 1.00 0.00 C ATOM 175 O ASP A 12 2.996 5.791 -10.443 1.00 0.00 O ATOM 176 CB ASP A 12 1.952 2.696 -9.718 1.00 0.00 C ATOM 177 CG ASP A 12 2.295 1.815 -10.919 1.00 0.00 C ATOM 178 OD1 ASP A 12 3.469 1.551 -11.122 1.00 0.00 O ATOM 179 OD2 ASP A 12 1.376 1.417 -11.618 1.00 0.00 O ATOM 0 H ASP A 12 2.637 5.359 -8.263 1.00 0.00 H new ATOM 0 HA ASP A 12 4.039 3.043 -9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.737 2.076 -8.848 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.054 3.278 -9.925 1.00 0.00 H new ATOM 184 N ASP A 13 3.731 4.144 -11.707 1.00 0.00 N ATOM 185 CA ASP A 13 3.906 5.040 -12.885 1.00 0.00 C ATOM 186 C ASP A 13 2.754 4.815 -13.868 1.00 0.00 C ATOM 187 O ASP A 13 2.368 5.706 -14.597 1.00 0.00 O ATOM 188 CB ASP A 13 5.234 4.722 -13.572 1.00 0.00 C ATOM 189 CG ASP A 13 5.563 5.826 -14.579 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.663 6.576 -14.919 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.708 5.903 -14.991 1.00 0.00 O ATOM 0 H ASP A 13 3.985 3.169 -11.866 1.00 0.00 H new ATOM 0 HA ASP A 13 3.907 6.080 -12.558 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.029 4.642 -12.831 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.172 3.759 -14.079 1.00 0.00 H new ATOM 196 N PHE A 14 2.200 3.630 -13.896 1.00 0.00 N ATOM 197 CA PHE A 14 1.072 3.362 -14.834 1.00 0.00 C ATOM 198 C PHE A 14 -0.154 4.159 -14.390 1.00 0.00 C ATOM 199 O PHE A 14 -0.454 4.252 -13.217 1.00 0.00 O ATOM 200 CB PHE A 14 0.731 1.868 -14.834 1.00 0.00 C ATOM 201 CG PHE A 14 1.253 1.232 -16.102 1.00 0.00 C ATOM 202 CD1 PHE A 14 2.630 1.069 -16.292 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.355 0.803 -17.091 1.00 0.00 C ATOM 204 CE1 PHE A 14 3.110 0.480 -17.468 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.837 0.215 -18.266 1.00 0.00 C ATOM 206 CZ PHE A 14 2.214 0.053 -18.455 1.00 0.00 C ATOM 0 H PHE A 14 2.479 2.841 -13.313 1.00 0.00 H new ATOM 0 HA PHE A 14 1.366 3.661 -15.840 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.172 1.383 -13.963 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.348 1.730 -14.763 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.323 1.398 -15.531 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.708 0.927 -16.946 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.173 0.355 -17.614 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.146 -0.114 -19.028 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.585 -0.401 -19.362 1.00 0.00 H new ATOM 216 N SER A 15 -0.862 4.737 -15.321 1.00 0.00 N ATOM 217 CA SER A 15 -2.070 5.532 -14.960 1.00 0.00 C ATOM 218 C SER A 15 -3.318 4.661 -15.113 1.00 0.00 C ATOM 219 O SER A 15 -4.279 4.801 -14.382 1.00 0.00 O ATOM 220 CB SER A 15 -2.178 6.739 -15.892 1.00 0.00 C ATOM 221 OG SER A 15 -1.993 7.930 -15.141 1.00 0.00 O ATOM 0 H SER A 15 -0.655 4.693 -16.319 1.00 0.00 H new ATOM 0 HA SER A 15 -1.987 5.872 -13.928 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.428 6.672 -16.680 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.153 6.751 -16.379 1.00 0.00 H new ATOM 0 HG SER A 15 -2.060 8.706 -15.736 1.00 0.00 H new ATOM 227 N THR A 16 -3.315 3.766 -16.063 1.00 0.00 N ATOM 228 CA THR A 16 -4.505 2.892 -16.268 1.00 0.00 C ATOM 229 C THR A 16 -4.548 1.809 -15.191 1.00 0.00 C ATOM 230 O THR A 16 -5.586 1.247 -14.908 1.00 0.00 O ATOM 231 CB THR A 16 -4.435 2.237 -17.653 1.00 0.00 C ATOM 232 OG1 THR A 16 -4.375 0.826 -17.503 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.189 2.723 -18.398 1.00 0.00 C ATOM 0 H THR A 16 -2.540 3.602 -16.706 1.00 0.00 H new ATOM 0 HA THR A 16 -5.407 3.500 -16.201 1.00 0.00 H new ATOM 0 HB THR A 16 -5.322 2.510 -18.224 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.332 0.405 -18.387 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.146 2.253 -19.381 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.234 3.806 -18.515 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.298 2.456 -17.829 1.00 0.00 H new ATOM 241 N MET A 17 -3.437 1.515 -14.579 1.00 0.00 N ATOM 242 CA MET A 17 -3.441 0.475 -13.513 1.00 0.00 C ATOM 243 C MET A 17 -4.102 1.048 -12.271 1.00 0.00 C ATOM 244 O MET A 17 -5.057 0.504 -11.752 1.00 0.00 O ATOM 245 CB MET A 17 -2.010 0.080 -13.152 1.00 0.00 C ATOM 246 CG MET A 17 -2.033 -0.799 -11.900 1.00 0.00 C ATOM 247 SD MET A 17 -0.682 -2.003 -11.975 1.00 0.00 S ATOM 248 CE MET A 17 -1.400 -3.098 -13.227 1.00 0.00 C ATOM 0 H MET A 17 -2.532 1.946 -14.768 1.00 0.00 H new ATOM 0 HA MET A 17 -3.981 -0.400 -13.875 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.548 -0.458 -13.980 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.408 0.971 -12.975 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.933 -0.181 -11.008 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.990 -1.316 -11.824 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.405 -4.122 -12.855 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.422 -2.785 -13.442 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.806 -3.047 -14.139 1.00 0.00 H new ATOM 258 N ARG A 18 -3.583 2.132 -11.771 1.00 0.00 N ATOM 259 CA ARG A 18 -4.163 2.722 -10.547 1.00 0.00 C ATOM 260 C ARG A 18 -5.641 3.070 -10.766 1.00 0.00 C ATOM 261 O ARG A 18 -6.350 3.404 -9.836 1.00 0.00 O ATOM 262 CB ARG A 18 -3.361 3.963 -10.139 1.00 0.00 C ATOM 263 CG ARG A 18 -1.886 3.578 -9.928 1.00 0.00 C ATOM 264 CD ARG A 18 -1.779 2.459 -8.881 1.00 0.00 C ATOM 265 NE ARG A 18 -0.477 2.542 -8.170 1.00 0.00 N ATOM 266 CZ ARG A 18 -0.212 1.700 -7.209 1.00 0.00 C ATOM 267 NH1 ARG A 18 -0.870 0.576 -7.124 1.00 0.00 N ATOM 268 NH2 ARG A 18 0.710 1.983 -6.331 1.00 0.00 N ATOM 0 H ARG A 18 -2.783 2.631 -12.160 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.108 1.992 -9.739 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.441 4.729 -10.910 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.771 4.388 -9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.449 3.248 -10.871 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.318 4.449 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.598 2.541 -8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.875 1.487 -9.366 1.00 0.00 H new ATOM 0 HE ARG A 18 0.206 3.253 -8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.592 0.355 -7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.662 -0.081 -6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.223 2.862 -6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.918 1.325 -5.580 1.00 0.00 H new ATOM 282 N ARG A 19 -6.124 2.970 -11.976 1.00 0.00 N ATOM 283 CA ARG A 19 -7.565 3.273 -12.221 1.00 0.00 C ATOM 284 C ARG A 19 -8.402 2.085 -11.735 1.00 0.00 C ATOM 285 O ARG A 19 -9.468 2.245 -11.176 1.00 0.00 O ATOM 286 CB ARG A 19 -7.784 3.495 -13.726 1.00 0.00 C ATOM 287 CG ARG A 19 -9.283 3.547 -14.060 1.00 0.00 C ATOM 288 CD ARG A 19 -9.976 4.611 -13.204 1.00 0.00 C ATOM 289 NE ARG A 19 -11.295 4.948 -13.813 1.00 0.00 N ATOM 290 CZ ARG A 19 -12.401 4.629 -13.196 1.00 0.00 C ATOM 291 NH1 ARG A 19 -12.452 3.557 -12.455 1.00 0.00 N ATOM 292 NH2 ARG A 19 -13.458 5.383 -13.324 1.00 0.00 N ATOM 0 H ARG A 19 -5.589 2.694 -12.799 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.864 4.173 -11.684 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.306 4.425 -14.034 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.309 2.691 -14.289 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.420 3.774 -15.117 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.737 2.573 -13.881 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.115 4.243 -12.187 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.354 5.504 -13.138 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.333 5.428 -14.712 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.627 2.966 -12.356 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.317 3.310 -11.974 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.420 6.220 -13.905 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.323 5.135 -12.843 1.00 0.00 H new ATOM 306 N ILE A 20 -7.920 0.893 -11.945 1.00 0.00 N ATOM 307 CA ILE A 20 -8.676 -0.311 -11.500 1.00 0.00 C ATOM 308 C ILE A 20 -8.835 -0.284 -9.979 1.00 0.00 C ATOM 309 O ILE A 20 -9.929 -0.368 -9.456 1.00 0.00 O ATOM 310 CB ILE A 20 -7.904 -1.568 -11.929 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.444 -2.054 -13.276 1.00 0.00 C ATOM 312 CG2 ILE A 20 -8.061 -2.684 -10.888 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.460 -3.049 -13.894 1.00 0.00 C ATOM 0 H ILE A 20 -7.032 0.699 -12.407 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.666 -0.319 -11.955 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.847 -1.318 -12.015 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.417 -2.526 -13.140 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.591 -1.208 -13.947 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.506 -3.565 -11.212 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.673 -2.343 -9.928 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.116 -2.938 -10.783 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.846 -3.394 -14.853 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.496 -2.562 -14.045 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.336 -3.901 -13.225 1.00 0.00 H new ATOM 325 N VAL A 21 -7.750 -0.187 -9.262 1.00 0.00 N ATOM 326 CA VAL A 21 -7.837 -0.174 -7.773 1.00 0.00 C ATOM 327 C VAL A 21 -8.727 0.978 -7.297 1.00 0.00 C ATOM 328 O VAL A 21 -9.493 0.827 -6.365 1.00 0.00 O ATOM 329 CB VAL A 21 -6.445 -0.003 -7.171 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.931 -1.338 -6.649 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.499 0.508 -8.240 1.00 0.00 C ATOM 0 H VAL A 21 -6.806 -0.116 -9.642 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.268 -1.121 -7.449 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.499 0.707 -6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.937 -1.203 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.608 -1.714 -5.882 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.879 -2.054 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.503 0.632 -7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.457 -0.208 -9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.856 1.468 -8.613 1.00 0.00 H new ATOM 341 N ARG A 22 -8.627 2.132 -7.913 1.00 0.00 N ATOM 342 CA ARG A 22 -9.468 3.286 -7.470 1.00 0.00 C ATOM 343 C ARG A 22 -10.904 2.812 -7.253 1.00 0.00 C ATOM 344 O ARG A 22 -11.482 3.002 -6.201 1.00 0.00 O ATOM 345 CB ARG A 22 -9.459 4.373 -8.548 1.00 0.00 C ATOM 346 CG ARG A 22 -8.595 5.557 -8.091 1.00 0.00 C ATOM 347 CD ARG A 22 -8.724 6.707 -9.093 1.00 0.00 C ATOM 348 NE ARG A 22 -8.592 6.181 -10.479 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.066 6.928 -11.410 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.661 8.031 -11.775 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.944 6.573 -11.975 1.00 0.00 N ATOM 0 H ARG A 22 -8.004 2.323 -8.698 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.066 3.689 -6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.070 3.967 -9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.477 4.709 -8.746 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.909 5.888 -7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.553 5.249 -8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.688 7.202 -8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.955 7.456 -8.903 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.912 5.238 -10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.537 8.309 -11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.250 8.615 -12.503 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.479 5.712 -11.688 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.532 7.157 -12.703 1.00 0.00 H new ATOM 365 N ASN A 23 -11.472 2.186 -8.239 1.00 0.00 N ATOM 366 CA ASN A 23 -12.852 1.678 -8.117 1.00 0.00 C ATOM 367 C ASN A 23 -12.895 0.630 -7.014 1.00 0.00 C ATOM 368 O ASN A 23 -13.642 0.735 -6.065 1.00 0.00 O ATOM 369 CB ASN A 23 -13.197 1.015 -9.435 1.00 0.00 C ATOM 370 CG ASN A 23 -14.585 1.457 -9.902 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.708 2.354 -10.713 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.643 0.863 -9.422 1.00 0.00 N ATOM 0 H ASN A 23 -11.027 2.004 -9.138 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.550 2.482 -7.883 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.452 1.275 -10.187 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.171 -0.069 -9.323 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.572 1.151 -9.727 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.541 0.110 -8.741 1.00 0.00 H new ATOM 379 N LEU A 24 -12.082 -0.377 -7.159 1.00 0.00 N ATOM 380 CA LEU A 24 -12.016 -1.479 -6.151 1.00 0.00 C ATOM 381 C LEU A 24 -12.166 -0.905 -4.739 1.00 0.00 C ATOM 382 O LEU A 24 -13.062 -1.267 -4.004 1.00 0.00 O ATOM 383 CB LEU A 24 -10.650 -2.158 -6.283 1.00 0.00 C ATOM 384 CG LEU A 24 -10.608 -3.503 -5.519 1.00 0.00 C ATOM 385 CD1 LEU A 24 -9.982 -4.565 -6.422 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.772 -3.407 -4.222 1.00 0.00 C ATOM 0 H LEU A 24 -11.446 -0.488 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.819 -2.195 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.428 -2.330 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.875 -1.496 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.631 -3.765 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.947 -5.518 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.581 -4.673 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.970 -4.263 -6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.770 -4.374 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.749 -3.124 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.207 -2.655 -3.563 1.00 0.00 H new ATOM 398 N LEU A 25 -11.300 -0.005 -4.358 1.00 0.00 N ATOM 399 CA LEU A 25 -11.397 0.597 -2.997 1.00 0.00 C ATOM 400 C LEU A 25 -12.807 1.154 -2.795 1.00 0.00 C ATOM 401 O LEU A 25 -13.462 0.867 -1.813 1.00 0.00 O ATOM 402 CB LEU A 25 -10.373 1.731 -2.867 1.00 0.00 C ATOM 403 CG LEU A 25 -8.999 1.164 -2.481 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.956 2.280 -2.552 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.032 0.600 -1.052 1.00 0.00 C ATOM 0 H LEU A 25 -10.529 0.339 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.192 -0.162 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.299 2.273 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.704 2.445 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.743 0.362 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.979 1.882 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.916 2.676 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.229 3.078 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.050 0.202 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.296 1.394 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.773 -0.197 -0.992 1.00 0.00 H new ATOM 417 N LYS A 26 -13.282 1.949 -3.714 1.00 0.00 N ATOM 418 CA LYS A 26 -14.647 2.518 -3.568 1.00 0.00 C ATOM 419 C LYS A 26 -15.658 1.384 -3.398 1.00 0.00 C ATOM 420 O LYS A 26 -16.581 1.472 -2.614 1.00 0.00 O ATOM 421 CB LYS A 26 -14.999 3.338 -4.810 1.00 0.00 C ATOM 422 CG LYS A 26 -14.103 4.577 -4.874 1.00 0.00 C ATOM 423 CD LYS A 26 -14.525 5.451 -6.057 1.00 0.00 C ATOM 424 CE LYS A 26 -13.617 6.680 -6.131 1.00 0.00 C ATOM 425 NZ LYS A 26 -13.920 7.451 -7.371 1.00 0.00 N ATOM 0 H LYS A 26 -12.783 2.228 -4.559 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.677 3.164 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.867 2.734 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.047 3.635 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.179 5.142 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.060 4.279 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.461 4.882 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.564 5.759 -5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.767 7.309 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.571 6.373 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.302 8.286 -7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.755 6.849 -8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.914 7.756 -7.356 1.00 0.00 H new ATOM 439 N GLU A 27 -15.490 0.317 -4.129 1.00 0.00 N ATOM 440 CA GLU A 27 -16.435 -0.824 -4.016 1.00 0.00 C ATOM 441 C GLU A 27 -16.568 -1.223 -2.548 1.00 0.00 C ATOM 442 O GLU A 27 -17.647 -1.507 -2.065 1.00 0.00 O ATOM 443 CB GLU A 27 -15.902 -2.009 -4.824 1.00 0.00 C ATOM 444 CG GLU A 27 -17.049 -2.971 -5.141 1.00 0.00 C ATOM 445 CD GLU A 27 -16.524 -4.408 -5.149 1.00 0.00 C ATOM 446 OE1 GLU A 27 -16.384 -4.973 -4.077 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.272 -4.919 -6.228 1.00 0.00 O ATOM 0 H GLU A 27 -14.735 0.188 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.411 -0.533 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.444 -1.656 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.125 -2.526 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.841 -2.866 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.485 -2.727 -6.110 1.00 0.00 H new ATOM 454 N LEU A 28 -15.478 -1.240 -1.836 1.00 0.00 N ATOM 455 CA LEU A 28 -15.535 -1.615 -0.395 1.00 0.00 C ATOM 456 C LEU A 28 -16.161 -0.469 0.394 1.00 0.00 C ATOM 457 O LEU A 28 -17.198 -0.617 1.011 1.00 0.00 O ATOM 458 CB LEU A 28 -14.118 -1.876 0.124 1.00 0.00 C ATOM 459 CG LEU A 28 -13.338 -2.696 -0.905 1.00 0.00 C ATOM 460 CD1 LEU A 28 -11.940 -3.003 -0.364 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.079 -4.007 -1.175 1.00 0.00 C ATOM 0 H LEU A 28 -14.549 -1.011 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.135 -2.517 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.609 -0.931 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.160 -2.410 1.073 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.250 -2.128 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.386 -3.587 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.412 -2.069 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.025 -3.571 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.525 -4.594 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.166 -4.573 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.075 -3.789 -1.562 1.00 0.00 H new ATOM 473 N GLY A 29 -15.536 0.672 0.381 1.00 0.00 N ATOM 474 CA GLY A 29 -16.080 1.829 1.125 1.00 0.00 C ATOM 475 C GLY A 29 -14.956 2.819 1.429 1.00 0.00 C ATOM 476 O GLY A 29 -14.567 2.996 2.563 1.00 0.00 O ATOM 0 H GLY A 29 -14.665 0.850 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.859 2.317 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.542 1.492 2.053 1.00 0.00 H new ATOM 480 N PHE A 30 -14.429 3.467 0.426 1.00 0.00 N ATOM 481 CA PHE A 30 -13.333 4.449 0.668 1.00 0.00 C ATOM 482 C PHE A 30 -13.393 5.549 -0.399 1.00 0.00 C ATOM 483 O PHE A 30 -13.740 5.300 -1.536 1.00 0.00 O ATOM 484 CB PHE A 30 -11.979 3.739 0.587 1.00 0.00 C ATOM 485 CG PHE A 30 -11.823 2.793 1.754 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.683 3.298 3.048 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.806 1.411 1.538 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.525 2.423 4.130 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.652 0.534 2.617 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.511 1.041 3.915 1.00 0.00 C ATOM 0 H PHE A 30 -14.709 3.359 -0.549 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.453 4.889 1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.903 3.189 -0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.173 4.473 0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.697 4.365 3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.912 1.020 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.414 2.815 5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.642 -0.533 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.392 0.365 4.749 1.00 0.00 H new ATOM 500 N ASN A 31 -13.055 6.761 -0.048 1.00 0.00 N ATOM 501 CA ASN A 31 -13.091 7.862 -1.056 1.00 0.00 C ATOM 502 C ASN A 31 -12.030 8.913 -0.715 1.00 0.00 C ATOM 503 O ASN A 31 -12.340 10.029 -0.345 1.00 0.00 O ATOM 504 CB ASN A 31 -14.478 8.510 -1.057 1.00 0.00 C ATOM 505 CG ASN A 31 -14.443 9.797 -1.886 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.634 10.876 -1.361 1.00 0.00 O ATOM 507 ND2 ASN A 31 -14.204 9.728 -3.167 1.00 0.00 N ATOM 0 H ASN A 31 -12.757 7.036 0.888 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.882 7.452 -2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.213 7.819 -1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.788 8.732 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.178 10.580 -3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.044 8.822 -3.608 1.00 0.00 H new ATOM 514 N ASN A 32 -10.775 8.565 -0.838 1.00 0.00 N ATOM 515 CA ASN A 32 -9.684 9.538 -0.528 1.00 0.00 C ATOM 516 C ASN A 32 -8.337 8.879 -0.839 1.00 0.00 C ATOM 517 O ASN A 32 -7.829 8.092 -0.067 1.00 0.00 O ATOM 518 CB ASN A 32 -9.734 9.931 0.955 1.00 0.00 C ATOM 519 CG ASN A 32 -9.401 11.417 1.099 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.484 11.779 1.809 1.00 0.00 O ATOM 521 ND2 ASN A 32 -10.113 12.298 0.452 1.00 0.00 N ATOM 0 H ASN A 32 -10.457 7.644 -1.141 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.811 10.436 -1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.724 9.728 1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.025 9.331 1.526 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.900 13.291 0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.883 11.993 -0.144 1.00 0.00 H new ATOM 528 N VAL A 33 -7.762 9.174 -1.974 1.00 0.00 N ATOM 529 CA VAL A 33 -6.461 8.536 -2.324 1.00 0.00 C ATOM 530 C VAL A 33 -5.627 9.466 -3.211 1.00 0.00 C ATOM 531 O VAL A 33 -6.163 10.242 -3.978 1.00 0.00 O ATOM 532 CB VAL A 33 -6.743 7.241 -3.085 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.767 7.515 -4.187 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.449 6.720 -3.712 1.00 0.00 C ATOM 0 H VAL A 33 -8.133 9.823 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.904 8.332 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.136 6.494 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.970 6.593 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.691 7.885 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.371 8.263 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.653 5.797 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.053 7.465 -4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.717 6.526 -2.928 1.00 0.00 H new ATOM 544 N GLU A 34 -4.318 9.366 -3.133 1.00 0.00 N ATOM 545 CA GLU A 34 -3.442 10.213 -3.994 1.00 0.00 C ATOM 546 C GLU A 34 -2.536 9.287 -4.797 1.00 0.00 C ATOM 547 O GLU A 34 -2.751 8.092 -4.830 1.00 0.00 O ATOM 548 CB GLU A 34 -2.609 11.157 -3.129 1.00 0.00 C ATOM 549 CG GLU A 34 -3.529 12.225 -2.530 1.00 0.00 C ATOM 550 CD GLU A 34 -3.306 13.558 -3.248 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.191 14.051 -3.207 1.00 0.00 O ATOM 552 OE2 GLU A 34 -4.254 14.061 -3.829 1.00 0.00 O ATOM 0 H GLU A 34 -3.822 8.731 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.046 10.822 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.112 10.600 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.828 11.625 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.570 11.918 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.328 12.336 -1.465 1.00 0.00 H new ATOM 559 N GLU A 35 -1.542 9.817 -5.454 1.00 0.00 N ATOM 560 CA GLU A 35 -0.648 8.946 -6.275 1.00 0.00 C ATOM 561 C GLU A 35 0.805 9.404 -6.166 1.00 0.00 C ATOM 562 O GLU A 35 1.098 10.520 -5.781 1.00 0.00 O ATOM 563 CB GLU A 35 -1.082 9.025 -7.742 1.00 0.00 C ATOM 564 CG GLU A 35 -2.221 8.036 -8.001 1.00 0.00 C ATOM 565 CD GLU A 35 -2.943 8.415 -9.295 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.727 9.350 -9.261 1.00 0.00 O ATOM 567 OE2 GLU A 35 -2.701 7.765 -10.298 1.00 0.00 O ATOM 0 H GLU A 35 -1.309 10.810 -5.460 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.724 7.923 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.407 10.038 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.237 8.799 -8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.827 7.023 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.921 8.045 -7.166 1.00 0.00 H new ATOM 574 N ALA A 36 1.712 8.540 -6.524 1.00 0.00 N ATOM 575 CA ALA A 36 3.159 8.884 -6.475 1.00 0.00 C ATOM 576 C ALA A 36 3.850 8.202 -7.657 1.00 0.00 C ATOM 577 O ALA A 36 3.194 7.716 -8.557 1.00 0.00 O ATOM 578 CB ALA A 36 3.759 8.395 -5.155 1.00 0.00 C ATOM 0 H ALA A 36 1.509 7.596 -6.853 1.00 0.00 H new ATOM 0 HA ALA A 36 3.298 9.963 -6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.819 8.648 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.245 8.874 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.641 7.314 -5.080 1.00 0.00 H new ATOM 584 N GLU A 37 5.155 8.172 -7.672 1.00 0.00 N ATOM 585 CA GLU A 37 5.877 7.528 -8.813 1.00 0.00 C ATOM 586 C GLU A 37 6.943 6.558 -8.299 1.00 0.00 C ATOM 587 O GLU A 37 7.609 5.906 -9.076 1.00 0.00 O ATOM 588 CB GLU A 37 6.548 8.609 -9.660 1.00 0.00 C ATOM 589 CG GLU A 37 5.480 9.543 -10.233 1.00 0.00 C ATOM 590 CD GLU A 37 5.663 9.660 -11.746 1.00 0.00 C ATOM 591 OE1 GLU A 37 5.332 8.711 -12.438 1.00 0.00 O ATOM 592 OE2 GLU A 37 6.135 10.694 -12.189 1.00 0.00 O ATOM 0 H GLU A 37 5.754 8.564 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 37 5.157 6.972 -9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.254 9.176 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.118 8.151 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.486 9.159 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.556 10.527 -9.770 1.00 0.00 H new ATOM 599 N ASP A 38 7.119 6.448 -7.005 1.00 0.00 N ATOM 600 CA ASP A 38 8.152 5.509 -6.477 1.00 0.00 C ATOM 601 C ASP A 38 8.322 5.741 -4.976 1.00 0.00 C ATOM 602 O ASP A 38 7.570 6.471 -4.362 1.00 0.00 O ATOM 603 CB ASP A 38 9.496 5.749 -7.183 1.00 0.00 C ATOM 604 CG ASP A 38 9.623 7.223 -7.568 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.332 8.057 -6.731 1.00 0.00 O ATOM 606 OD2 ASP A 38 10.012 7.492 -8.693 1.00 0.00 O ATOM 0 H ASP A 38 6.596 6.964 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 38 7.831 4.484 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.318 5.463 -6.527 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.566 5.124 -8.073 1.00 0.00 H new ATOM 611 N GLY A 39 9.305 5.125 -4.382 1.00 0.00 N ATOM 612 CA GLY A 39 9.523 5.310 -2.925 1.00 0.00 C ATOM 613 C GLY A 39 10.007 6.737 -2.654 1.00 0.00 C ATOM 614 O GLY A 39 9.643 7.344 -1.668 1.00 0.00 O ATOM 0 H GLY A 39 9.966 4.501 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.597 5.120 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.258 4.591 -2.563 1.00 0.00 H new ATOM 618 N VAL A 40 10.823 7.280 -3.517 1.00 0.00 N ATOM 619 CA VAL A 40 11.315 8.668 -3.288 1.00 0.00 C ATOM 620 C VAL A 40 10.139 9.639 -3.383 1.00 0.00 C ATOM 621 O VAL A 40 10.008 10.544 -2.584 1.00 0.00 O ATOM 622 CB VAL A 40 12.378 9.035 -4.328 1.00 0.00 C ATOM 623 CG1 VAL A 40 13.633 8.195 -4.090 1.00 0.00 C ATOM 624 CG2 VAL A 40 11.843 8.766 -5.735 1.00 0.00 C ATOM 0 H VAL A 40 11.167 6.827 -4.363 1.00 0.00 H new ATOM 0 HA VAL A 40 11.764 8.730 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 40 12.622 10.093 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.390 8.455 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.019 8.393 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.386 7.137 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.604 9.029 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.593 7.710 -5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.950 9.367 -5.906 1.00 0.00 H new ATOM 634 N ASP A 41 9.272 9.453 -4.340 1.00 0.00 N ATOM 635 CA ASP A 41 8.101 10.366 -4.460 1.00 0.00 C ATOM 636 C ASP A 41 7.194 10.148 -3.256 1.00 0.00 C ATOM 637 O ASP A 41 6.800 11.076 -2.581 1.00 0.00 O ATOM 638 CB ASP A 41 7.326 10.042 -5.736 1.00 0.00 C ATOM 639 CG ASP A 41 6.309 11.150 -6.017 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.919 11.822 -5.077 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.939 11.308 -7.170 1.00 0.00 O ATOM 0 H ASP A 41 9.323 8.713 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 41 8.440 11.401 -4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.014 9.945 -6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.815 9.085 -5.630 1.00 0.00 H new ATOM 646 N ALA A 42 6.864 8.918 -2.988 1.00 0.00 N ATOM 647 CA ALA A 42 5.982 8.614 -1.830 1.00 0.00 C ATOM 648 C ALA A 42 6.599 9.168 -0.546 1.00 0.00 C ATOM 649 O ALA A 42 5.983 9.934 0.158 1.00 0.00 O ATOM 650 CB ALA A 42 5.812 7.103 -1.705 1.00 0.00 C ATOM 0 H ALA A 42 7.169 8.106 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 42 5.009 9.079 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.166 6.879 -0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.363 6.711 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.786 6.639 -1.552 1.00 0.00 H new ATOM 656 N LEU A 43 7.810 8.789 -0.236 1.00 0.00 N ATOM 657 CA LEU A 43 8.463 9.301 1.008 1.00 0.00 C ATOM 658 C LEU A 43 8.250 10.816 1.094 1.00 0.00 C ATOM 659 O LEU A 43 7.761 11.332 2.080 1.00 0.00 O ATOM 660 CB LEU A 43 9.969 8.983 0.946 1.00 0.00 C ATOM 661 CG LEU A 43 10.636 9.079 2.335 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.517 10.500 2.886 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.982 8.099 3.316 1.00 0.00 C ATOM 0 H LEU A 43 8.377 8.147 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 43 8.029 8.826 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.112 7.980 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.458 9.675 0.260 1.00 0.00 H new ATOM 0 HG LEU A 43 11.689 8.822 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.992 10.551 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.010 11.196 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.464 10.767 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.466 8.181 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.923 8.337 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.092 7.081 2.941 1.00 0.00 H new ATOM 675 N ASN A 44 8.612 11.530 0.067 1.00 0.00 N ATOM 676 CA ASN A 44 8.435 13.010 0.085 1.00 0.00 C ATOM 677 C ASN A 44 6.952 13.366 0.229 1.00 0.00 C ATOM 678 O ASN A 44 6.590 14.276 0.949 1.00 0.00 O ATOM 679 CB ASN A 44 8.970 13.595 -1.225 1.00 0.00 C ATOM 680 CG ASN A 44 10.496 13.477 -1.256 1.00 0.00 C ATOM 681 OD1 ASN A 44 11.179 14.076 -0.449 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.065 12.726 -2.163 1.00 0.00 N ATOM 0 H ASN A 44 9.024 11.153 -0.787 1.00 0.00 H new ATOM 0 HA ASN A 44 8.982 13.424 0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.537 13.066 -2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.674 14.640 -1.316 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.081 12.643 -2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.493 12.223 -2.841 1.00 0.00 H new ATOM 689 N LYS A 45 6.094 12.669 -0.461 1.00 0.00 N ATOM 690 CA LYS A 45 4.634 12.982 -0.378 1.00 0.00 C ATOM 691 C LYS A 45 4.022 12.349 0.877 1.00 0.00 C ATOM 692 O LYS A 45 2.912 12.661 1.254 1.00 0.00 O ATOM 693 CB LYS A 45 3.919 12.426 -1.617 1.00 0.00 C ATOM 694 CG LYS A 45 3.268 13.566 -2.416 1.00 0.00 C ATOM 695 CD LYS A 45 2.062 14.134 -1.651 1.00 0.00 C ATOM 696 CE LYS A 45 1.141 14.874 -2.624 1.00 0.00 C ATOM 697 NZ LYS A 45 1.870 16.035 -3.207 1.00 0.00 N ATOM 0 H LYS A 45 6.337 11.895 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 45 4.512 14.064 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.631 11.892 -2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.159 11.706 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.998 14.356 -2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.948 13.199 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.517 13.328 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.401 14.812 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.814 14.201 -3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.245 15.216 -2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.193 16.670 -3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.362 16.551 -2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.564 15.695 -3.903 1.00 0.00 H new ATOM 711 N LEU A 46 4.729 11.470 1.529 1.00 0.00 N ATOM 712 CA LEU A 46 4.169 10.830 2.753 1.00 0.00 C ATOM 713 C LEU A 46 4.025 11.899 3.838 1.00 0.00 C ATOM 714 O LEU A 46 3.509 11.651 4.909 1.00 0.00 O ATOM 715 CB LEU A 46 5.122 9.727 3.233 1.00 0.00 C ATOM 716 CG LEU A 46 4.415 8.359 3.238 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.218 8.393 4.185 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.923 8.006 1.832 1.00 0.00 C ATOM 0 H LEU A 46 5.668 11.167 1.269 1.00 0.00 H new ATOM 0 HA LEU A 46 3.196 10.389 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.996 9.687 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.480 9.960 4.236 1.00 0.00 H new ATOM 0 HG LEU A 46 5.130 7.607 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.724 7.421 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.559 8.624 5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.515 9.158 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.426 7.036 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.221 8.766 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.772 7.964 1.149 1.00 0.00 H new ATOM 730 N GLN A 47 4.476 13.091 3.559 1.00 0.00 N ATOM 731 CA GLN A 47 4.369 14.190 4.558 1.00 0.00 C ATOM 732 C GLN A 47 3.134 15.036 4.247 1.00 0.00 C ATOM 733 O GLN A 47 2.797 15.949 4.976 1.00 0.00 O ATOM 734 CB GLN A 47 5.619 15.069 4.485 1.00 0.00 C ATOM 735 CG GLN A 47 5.417 16.309 5.356 1.00 0.00 C ATOM 736 CD GLN A 47 6.778 16.845 5.805 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.642 16.087 6.198 1.00 0.00 O ATOM 738 NE2 GLN A 47 7.005 18.130 5.763 1.00 0.00 N ATOM 0 H GLN A 47 4.916 13.352 2.677 1.00 0.00 H new ATOM 0 HA GLN A 47 4.281 13.767 5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.491 14.510 4.825 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.811 15.363 3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.879 17.075 4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.807 16.061 6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.279 18.766 5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.909 18.498 6.060 1.00 0.00 H new ATOM 747 N ALA A 48 2.460 14.743 3.166 1.00 0.00 N ATOM 748 CA ALA A 48 1.250 15.529 2.800 1.00 0.00 C ATOM 749 C ALA A 48 0.375 15.725 4.037 1.00 0.00 C ATOM 750 O ALA A 48 0.288 16.807 4.582 1.00 0.00 O ATOM 751 CB ALA A 48 0.455 14.777 1.730 1.00 0.00 C ATOM 0 H ALA A 48 2.698 13.990 2.520 1.00 0.00 H new ATOM 0 HA ALA A 48 1.555 16.501 2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.431 15.353 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.077 14.637 0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.152 13.805 2.118 1.00 0.00 H new ATOM 757 N GLY A 49 -0.272 14.685 4.487 1.00 0.00 N ATOM 758 CA GLY A 49 -1.141 14.816 5.692 1.00 0.00 C ATOM 759 C GLY A 49 -1.115 13.508 6.479 1.00 0.00 C ATOM 760 O GLY A 49 -1.880 13.311 7.401 1.00 0.00 O ATOM 0 H GLY A 49 -0.237 13.753 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.792 15.637 6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.162 15.054 5.394 1.00 0.00 H new ATOM 764 N GLY A 50 -0.243 12.607 6.118 1.00 0.00 N ATOM 765 CA GLY A 50 -0.174 11.310 6.842 1.00 0.00 C ATOM 766 C GLY A 50 -1.167 10.338 6.213 1.00 0.00 C ATOM 767 O GLY A 50 -2.300 10.229 6.638 1.00 0.00 O ATOM 0 H GLY A 50 0.423 12.714 5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.836 10.903 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.406 11.455 7.897 1.00 0.00 H new ATOM 771 N TYR A 51 -0.754 9.630 5.199 1.00 0.00 N ATOM 772 CA TYR A 51 -1.674 8.668 4.542 1.00 0.00 C ATOM 773 C TYR A 51 -1.997 7.533 5.506 1.00 0.00 C ATOM 774 O TYR A 51 -1.162 6.702 5.805 1.00 0.00 O ATOM 775 CB TYR A 51 -1.009 8.098 3.294 1.00 0.00 C ATOM 776 CG TYR A 51 -1.038 9.132 2.203 1.00 0.00 C ATOM 777 CD1 TYR A 51 -2.169 9.261 1.388 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.061 9.969 2.013 1.00 0.00 C ATOM 779 CE1 TYR A 51 -2.196 10.232 0.382 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.037 10.938 1.007 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.089 11.071 0.191 1.00 0.00 C ATOM 782 OH TYR A 51 -1.108 12.031 -0.798 1.00 0.00 O ATOM 0 H TYR A 51 0.183 9.678 4.798 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.594 9.181 4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.020 7.812 3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.528 7.196 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.019 8.612 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.932 9.868 2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.068 10.335 -0.247 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.889 11.585 0.860 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.555 12.793 -0.525 1.00 0.00 H new ATOM 792 N GLY A 52 -3.202 7.483 5.990 1.00 0.00 N ATOM 793 CA GLY A 52 -3.578 6.395 6.929 1.00 0.00 C ATOM 794 C GLY A 52 -3.273 5.048 6.280 1.00 0.00 C ATOM 795 O GLY A 52 -3.422 4.008 6.888 1.00 0.00 O ATOM 0 H GLY A 52 -3.944 8.149 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.025 6.496 7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.637 6.462 7.177 1.00 0.00 H new ATOM 799 N PHE A 53 -2.868 5.056 5.038 1.00 0.00 N ATOM 800 CA PHE A 53 -2.580 3.769 4.344 1.00 0.00 C ATOM 801 C PHE A 53 -1.761 4.022 3.073 1.00 0.00 C ATOM 802 O PHE A 53 -1.945 5.012 2.393 1.00 0.00 O ATOM 803 CB PHE A 53 -3.909 3.160 3.949 1.00 0.00 C ATOM 804 CG PHE A 53 -3.979 1.704 4.323 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.417 1.332 5.596 1.00 0.00 C ATOM 806 CD2 PHE A 53 -3.656 0.727 3.380 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.527 -0.015 5.930 1.00 0.00 C ATOM 808 CE2 PHE A 53 -3.772 -0.622 3.708 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.208 -0.999 4.985 1.00 0.00 C ATOM 0 H PHE A 53 -2.725 5.895 4.476 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.015 3.109 5.002 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.719 3.702 4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.056 3.269 2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.671 2.090 6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.316 1.017 2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.858 -0.301 6.917 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.526 -1.378 2.977 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.298 -2.045 5.240 1.00 0.00 H new ATOM 819 N VAL A 54 -0.867 3.128 2.738 1.00 0.00 N ATOM 820 CA VAL A 54 -0.046 3.321 1.503 1.00 0.00 C ATOM 821 C VAL A 54 0.103 1.993 0.753 1.00 0.00 C ATOM 822 O VAL A 54 0.729 1.069 1.237 1.00 0.00 O ATOM 823 CB VAL A 54 1.345 3.812 1.902 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.112 4.299 0.670 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.222 4.954 2.911 1.00 0.00 C ATOM 0 H VAL A 54 -0.670 2.276 3.263 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.540 4.048 0.859 1.00 0.00 H new ATOM 0 HB VAL A 54 1.890 2.984 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.101 4.646 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.215 3.480 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.567 5.119 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.217 5.300 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.665 5.777 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.697 4.601 3.798 1.00 0.00 H new ATOM 835 N ILE A 55 -0.441 1.903 -0.438 1.00 0.00 N ATOM 836 CA ILE A 55 -0.297 0.648 -1.236 1.00 0.00 C ATOM 837 C ILE A 55 0.768 0.885 -2.314 1.00 0.00 C ATOM 838 O ILE A 55 0.512 1.509 -3.328 1.00 0.00 O ATOM 839 CB ILE A 55 -1.628 0.273 -1.907 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.615 1.441 -1.827 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.234 -0.943 -1.198 1.00 0.00 C ATOM 842 CD1 ILE A 55 -3.882 1.085 -2.618 1.00 0.00 C ATOM 0 H ILE A 55 -0.977 2.644 -0.889 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.005 -0.169 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.436 0.038 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.867 1.649 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.161 2.345 -2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.178 -1.209 -1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.544 -1.784 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.411 -0.702 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.589 1.913 -2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.620 0.898 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.338 0.191 -2.192 1.00 0.00 H new ATOM 854 N SER A 56 1.965 0.404 -2.093 1.00 0.00 N ATOM 855 CA SER A 56 3.059 0.608 -3.092 1.00 0.00 C ATOM 856 C SER A 56 3.295 -0.689 -3.868 1.00 0.00 C ATOM 857 O SER A 56 3.168 -1.775 -3.337 1.00 0.00 O ATOM 858 CB SER A 56 4.344 1.007 -2.365 1.00 0.00 C ATOM 859 OG SER A 56 4.677 2.344 -2.698 1.00 0.00 O ATOM 0 H SER A 56 2.233 -0.123 -1.262 1.00 0.00 H new ATOM 0 HA SER A 56 2.772 1.398 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.210 0.911 -1.287 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.157 0.337 -2.646 1.00 0.00 H new ATOM 0 HG SER A 56 5.626 2.502 -2.509 1.00 0.00 H new ATOM 865 N ASP A 57 3.636 -0.584 -5.123 1.00 0.00 N ATOM 866 CA ASP A 57 3.881 -1.808 -5.937 1.00 0.00 C ATOM 867 C ASP A 57 5.137 -2.520 -5.428 1.00 0.00 C ATOM 868 O ASP A 57 5.161 -3.054 -4.338 1.00 0.00 O ATOM 869 CB ASP A 57 4.078 -1.411 -7.401 1.00 0.00 C ATOM 870 CG ASP A 57 5.123 -0.297 -7.491 1.00 0.00 C ATOM 871 OD1 ASP A 57 5.696 0.033 -6.466 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.330 0.206 -8.583 1.00 0.00 O ATOM 0 H ASP A 57 3.756 0.298 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 57 3.026 -2.479 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.400 -2.274 -7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.133 -1.074 -7.828 1.00 0.00 H new ATOM 877 N TRP A 58 6.182 -2.535 -6.212 1.00 0.00 N ATOM 878 CA TRP A 58 7.433 -3.217 -5.774 1.00 0.00 C ATOM 879 C TRP A 58 8.565 -2.876 -6.748 1.00 0.00 C ATOM 880 O TRP A 58 8.903 -1.724 -6.938 1.00 0.00 O ATOM 881 CB TRP A 58 7.199 -4.730 -5.753 1.00 0.00 C ATOM 882 CG TRP A 58 8.372 -5.412 -5.126 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.192 -6.280 -5.760 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.864 -5.308 -3.759 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.163 -6.707 -4.874 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.004 -6.137 -3.628 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.439 -4.580 -2.633 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.696 -6.238 -2.423 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.135 -4.684 -1.418 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.262 -5.511 -1.316 1.00 0.00 C ATOM 0 H TRP A 58 6.223 -2.105 -7.136 1.00 0.00 H new ATOM 0 HA TRP A 58 7.709 -2.881 -4.775 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.291 -4.960 -5.195 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.051 -5.099 -6.768 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.103 -6.589 -6.791 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.906 -7.363 -5.112 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.573 -3.938 -2.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.564 -6.876 -2.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.800 -4.124 -0.557 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.794 -5.585 -0.379 1.00 0.00 H new ATOM 901 N ASN A 59 9.158 -3.862 -7.367 1.00 0.00 N ATOM 902 CA ASN A 59 10.268 -3.574 -8.324 1.00 0.00 C ATOM 903 C ASN A 59 9.688 -3.211 -9.691 1.00 0.00 C ATOM 904 O ASN A 59 8.974 -3.984 -10.300 1.00 0.00 O ATOM 905 CB ASN A 59 11.167 -4.805 -8.470 1.00 0.00 C ATOM 906 CG ASN A 59 12.270 -4.761 -7.412 1.00 0.00 C ATOM 907 OD1 ASN A 59 13.300 -4.150 -7.614 1.00 0.00 O ATOM 908 ND2 ASN A 59 12.098 -5.390 -6.283 1.00 0.00 N ATOM 0 H ASN A 59 8.925 -4.848 -7.253 1.00 0.00 H new ATOM 0 HA ASN A 59 10.856 -2.740 -7.941 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.577 -5.715 -8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.606 -4.831 -9.467 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.828 -5.368 -5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.233 -5.904 -6.112 1.00 0.00 H new ATOM 915 N MET A 60 9.996 -2.042 -10.180 1.00 0.00 N ATOM 916 CA MET A 60 9.479 -1.615 -11.510 1.00 0.00 C ATOM 917 C MET A 60 9.912 -0.168 -11.807 1.00 0.00 C ATOM 918 O MET A 60 10.445 0.089 -12.868 1.00 0.00 O ATOM 919 CB MET A 60 7.947 -1.730 -11.564 1.00 0.00 C ATOM 920 CG MET A 60 7.546 -2.755 -12.627 1.00 0.00 C ATOM 921 SD MET A 60 7.994 -2.132 -14.266 1.00 0.00 S ATOM 922 CE MET A 60 6.778 -3.083 -15.210 1.00 0.00 C ATOM 0 H MET A 60 10.589 -1.358 -9.710 1.00 0.00 H new ATOM 0 HA MET A 60 9.899 -2.275 -12.269 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.560 -2.031 -10.590 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.507 -0.760 -11.796 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.046 -3.705 -12.438 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.474 -2.944 -12.579 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.877 -2.850 -16.270 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.950 -4.148 -15.055 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.774 -2.825 -14.874 1.00 0.00 H new ATOM 932 N PRO A 61 9.687 0.752 -10.881 1.00 0.00 N ATOM 933 CA PRO A 61 10.078 2.157 -11.099 1.00 0.00 C ATOM 934 C PRO A 61 11.603 2.266 -11.185 1.00 0.00 C ATOM 935 O PRO A 61 12.156 2.615 -12.209 1.00 0.00 O ATOM 936 CB PRO A 61 9.561 2.913 -9.869 1.00 0.00 C ATOM 937 CG PRO A 61 8.867 1.885 -8.943 1.00 0.00 C ATOM 938 CD PRO A 61 9.037 0.495 -9.573 1.00 0.00 C ATOM 0 HA PRO A 61 9.670 2.560 -12.026 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.383 3.403 -9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.861 3.694 -10.166 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.309 1.909 -7.947 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.810 2.126 -8.829 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.651 -0.152 -8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.076 -0.003 -9.699 1.00 0.00 H new ATOM 946 N ASN A 62 12.284 1.971 -10.111 1.00 0.00 N ATOM 947 CA ASN A 62 13.772 2.054 -10.121 1.00 0.00 C ATOM 948 C ASN A 62 14.341 1.041 -9.124 1.00 0.00 C ATOM 949 O ASN A 62 14.831 -0.006 -9.501 1.00 0.00 O ATOM 950 CB ASN A 62 14.206 3.465 -9.721 1.00 0.00 C ATOM 951 CG ASN A 62 13.505 4.488 -10.616 1.00 0.00 C ATOM 952 OD1 ASN A 62 12.361 4.989 -10.238 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 14.001 4.833 -11.670 1.00 0.00 N flip ATOM 0 H ASN A 62 11.873 1.676 -9.226 1.00 0.00 H new ATOM 0 HA ASN A 62 14.145 1.831 -11.121 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.958 3.650 -8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.287 3.565 -9.815 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.895 4.441 -11.965 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.523 5.514 -12.260 1.00 0.00 H new ATOM 960 N MET A 63 14.276 1.341 -7.855 1.00 0.00 N ATOM 961 CA MET A 63 14.808 0.391 -6.835 1.00 0.00 C ATOM 962 C MET A 63 13.675 -0.520 -6.349 1.00 0.00 C ATOM 963 O MET A 63 13.455 -1.586 -6.889 1.00 0.00 O ATOM 964 CB MET A 63 15.394 1.178 -5.657 1.00 0.00 C ATOM 965 CG MET A 63 16.070 0.216 -4.676 1.00 0.00 C ATOM 966 SD MET A 63 17.861 0.467 -4.720 1.00 0.00 S ATOM 967 CE MET A 63 18.283 -1.072 -5.575 1.00 0.00 C ATOM 0 H MET A 63 13.878 2.202 -7.480 1.00 0.00 H new ATOM 0 HA MET A 63 15.594 -0.221 -7.277 1.00 0.00 H new ATOM 0 HB2 MET A 63 16.116 1.909 -6.020 1.00 0.00 H new ATOM 0 HB3 MET A 63 14.605 1.734 -5.150 1.00 0.00 H new ATOM 0 HG2 MET A 63 15.693 0.385 -3.667 1.00 0.00 H new ATOM 0 HG3 MET A 63 15.830 -0.815 -4.938 1.00 0.00 H new ATOM 0 HE1 MET A 63 19.363 -1.128 -5.711 1.00 0.00 H new ATOM 0 HE2 MET A 63 17.947 -1.922 -4.981 1.00 0.00 H new ATOM 0 HE3 MET A 63 17.793 -1.094 -6.548 1.00 0.00 H new ATOM 977 N ASP A 64 12.949 -0.114 -5.340 1.00 0.00 N ATOM 978 CA ASP A 64 11.835 -0.970 -4.840 1.00 0.00 C ATOM 979 C ASP A 64 11.158 -0.292 -3.647 1.00 0.00 C ATOM 980 O ASP A 64 11.778 0.448 -2.908 1.00 0.00 O ATOM 981 CB ASP A 64 12.390 -2.328 -4.404 1.00 0.00 C ATOM 982 CG ASP A 64 13.822 -2.157 -3.894 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.013 -1.388 -2.967 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.704 -2.801 -4.440 1.00 0.00 O ATOM 0 H ASP A 64 13.079 0.768 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 64 11.105 -1.112 -5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.763 -2.754 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.372 -3.025 -5.242 1.00 0.00 H new ATOM 989 N GLY A 65 9.890 -0.538 -3.449 1.00 0.00 N ATOM 990 CA GLY A 65 9.181 0.096 -2.302 1.00 0.00 C ATOM 991 C GLY A 65 9.641 -0.549 -0.993 1.00 0.00 C ATOM 992 O GLY A 65 9.002 -0.423 0.033 1.00 0.00 O ATOM 0 H GLY A 65 9.317 -1.149 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.385 1.167 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.104 -0.021 -2.418 1.00 0.00 H new ATOM 996 N LEU A 66 10.751 -1.235 -1.010 1.00 0.00 N ATOM 997 CA LEU A 66 11.242 -1.865 0.245 1.00 0.00 C ATOM 998 C LEU A 66 11.902 -0.782 1.096 1.00 0.00 C ATOM 999 O LEU A 66 11.512 -0.540 2.222 1.00 0.00 O ATOM 1000 CB LEU A 66 12.256 -2.964 -0.086 1.00 0.00 C ATOM 1001 CG LEU A 66 12.398 -3.916 1.111 1.00 0.00 C ATOM 1002 CD1 LEU A 66 13.289 -5.102 0.733 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.021 -3.175 2.297 1.00 0.00 C ATOM 0 H LEU A 66 11.335 -1.385 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 66 10.413 -2.315 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.932 -3.518 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.222 -2.520 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 66 11.408 -4.279 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.385 -5.772 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.842 -5.641 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.275 -4.739 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.118 -3.857 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 66 14.006 -2.802 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.383 -2.337 2.579 1.00 0.00 H new ATOM 1015 N GLU A 67 12.879 -0.107 0.558 1.00 0.00 N ATOM 1016 CA GLU A 67 13.536 0.981 1.331 1.00 0.00 C ATOM 1017 C GLU A 67 12.457 1.969 1.772 1.00 0.00 C ATOM 1018 O GLU A 67 12.690 2.858 2.568 1.00 0.00 O ATOM 1019 CB GLU A 67 14.555 1.696 0.441 1.00 0.00 C ATOM 1020 CG GLU A 67 15.616 2.371 1.313 1.00 0.00 C ATOM 1021 CD GLU A 67 16.599 3.133 0.422 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.557 2.928 -0.780 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.375 3.908 0.956 1.00 0.00 O ATOM 0 H GLU A 67 13.249 -0.261 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 67 14.051 0.572 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.026 0.982 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.053 2.439 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.142 3.055 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.147 1.624 1.902 1.00 0.00 H new ATOM 1030 N LEU A 68 11.271 1.807 1.253 1.00 0.00 N ATOM 1031 CA LEU A 68 10.150 2.714 1.621 1.00 0.00 C ATOM 1032 C LEU A 68 9.544 2.252 2.944 1.00 0.00 C ATOM 1033 O LEU A 68 9.477 2.995 3.903 1.00 0.00 O ATOM 1034 CB LEU A 68 9.077 2.648 0.528 1.00 0.00 C ATOM 1035 CG LEU A 68 8.133 3.849 0.634 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.876 5.145 0.295 1.00 0.00 C ATOM 1037 CD2 LEU A 68 6.976 3.655 -0.349 1.00 0.00 C ATOM 0 H LEU A 68 11.030 1.077 0.583 1.00 0.00 H new ATOM 0 HA LEU A 68 10.517 3.735 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.550 2.634 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.510 1.722 0.622 1.00 0.00 H new ATOM 0 HG LEU A 68 7.755 3.920 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.191 5.989 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.704 5.282 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.263 5.087 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.296 4.504 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.369 3.582 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.438 2.740 -0.102 1.00 0.00 H new ATOM 1049 N LEU A 69 9.095 1.027 3.001 1.00 0.00 N ATOM 1050 CA LEU A 69 8.485 0.517 4.259 1.00 0.00 C ATOM 1051 C LEU A 69 9.557 0.424 5.349 1.00 0.00 C ATOM 1052 O LEU A 69 9.297 0.667 6.511 1.00 0.00 O ATOM 1053 CB LEU A 69 7.821 -0.838 3.975 1.00 0.00 C ATOM 1054 CG LEU A 69 8.443 -1.994 4.788 1.00 0.00 C ATOM 1055 CD1 LEU A 69 8.096 -1.862 6.283 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.877 -3.321 4.263 1.00 0.00 C ATOM 0 H LEU A 69 9.125 0.359 2.231 1.00 0.00 H new ATOM 0 HA LEU A 69 7.716 1.199 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.757 -0.771 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.905 -1.062 2.912 1.00 0.00 H new ATOM 0 HG LEU A 69 9.527 -1.961 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.545 -2.688 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.483 -0.917 6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.014 -1.888 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.307 -4.149 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.793 -3.326 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.128 -3.432 3.208 1.00 0.00 H new ATOM 1068 N LYS A 70 10.764 0.091 4.980 1.00 0.00 N ATOM 1069 CA LYS A 70 11.852 -0.001 5.994 1.00 0.00 C ATOM 1070 C LYS A 70 12.146 1.397 6.543 1.00 0.00 C ATOM 1071 O LYS A 70 12.033 1.646 7.727 1.00 0.00 O ATOM 1072 CB LYS A 70 13.111 -0.569 5.338 1.00 0.00 C ATOM 1073 CG LYS A 70 14.111 -0.979 6.421 1.00 0.00 C ATOM 1074 CD LYS A 70 15.538 -0.780 5.902 1.00 0.00 C ATOM 1075 CE LYS A 70 15.706 -1.515 4.571 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.131 -1.916 4.402 1.00 0.00 N ATOM 0 H LYS A 70 11.043 -0.121 4.022 1.00 0.00 H new ATOM 0 HA LYS A 70 11.542 -0.656 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.855 -1.430 4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.558 0.175 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.954 -0.383 7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.956 -2.022 6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.743 0.282 5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.257 -1.156 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.064 -2.395 4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.398 -0.872 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.246 -2.416 3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.733 -1.068 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.410 -2.544 5.182 1.00 0.00 H new ATOM 1090 N THR A 71 12.519 2.315 5.690 1.00 0.00 N ATOM 1091 CA THR A 71 12.813 3.697 6.165 1.00 0.00 C ATOM 1092 C THR A 71 11.602 4.230 6.932 1.00 0.00 C ATOM 1093 O THR A 71 11.735 4.924 7.919 1.00 0.00 O ATOM 1094 CB THR A 71 13.097 4.603 4.963 1.00 0.00 C ATOM 1095 OG1 THR A 71 14.201 4.086 4.234 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.423 6.016 5.453 1.00 0.00 C ATOM 0 H THR A 71 12.632 2.167 4.687 1.00 0.00 H new ATOM 0 HA THR A 71 13.685 3.683 6.818 1.00 0.00 H new ATOM 0 HB THR A 71 12.219 4.638 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.909 3.319 3.698 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.625 6.660 4.597 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.576 6.411 6.013 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.301 5.984 6.098 1.00 0.00 H new ATOM 1104 N ILE A 72 10.420 3.900 6.486 1.00 0.00 N ATOM 1105 CA ILE A 72 9.196 4.373 7.188 1.00 0.00 C ATOM 1106 C ILE A 72 9.248 3.902 8.644 1.00 0.00 C ATOM 1107 O ILE A 72 8.857 4.610 9.550 1.00 0.00 O ATOM 1108 CB ILE A 72 7.967 3.788 6.475 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.414 4.828 5.483 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.883 3.395 7.490 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.309 4.209 4.608 1.00 0.00 C ATOM 0 H ILE A 72 10.251 3.321 5.663 1.00 0.00 H new ATOM 0 HA ILE A 72 9.135 5.461 7.172 1.00 0.00 H new ATOM 0 HB ILE A 72 8.265 2.889 5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.016 5.684 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.220 5.200 4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.023 2.983 6.962 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.281 2.646 8.175 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.576 4.276 8.053 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.931 4.960 3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.717 3.369 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.495 3.860 5.243 1.00 0.00 H new ATOM 1123 N ARG A 73 9.724 2.710 8.873 1.00 0.00 N ATOM 1124 CA ARG A 73 9.799 2.193 10.269 1.00 0.00 C ATOM 1125 C ARG A 73 10.809 3.021 11.069 1.00 0.00 C ATOM 1126 O ARG A 73 10.940 2.870 12.267 1.00 0.00 O ATOM 1127 CB ARG A 73 10.249 0.728 10.242 1.00 0.00 C ATOM 1128 CG ARG A 73 9.466 -0.082 11.281 1.00 0.00 C ATOM 1129 CD ARG A 73 8.113 -0.492 10.695 1.00 0.00 C ATOM 1130 NE ARG A 73 7.153 -0.760 11.802 1.00 0.00 N ATOM 1131 CZ ARG A 73 6.046 -1.408 11.562 1.00 0.00 C ATOM 1132 NH1 ARG A 73 5.693 -1.667 10.332 1.00 0.00 N ATOM 1133 NH2 ARG A 73 5.292 -1.801 12.552 1.00 0.00 N ATOM 0 H ARG A 73 10.064 2.071 8.154 1.00 0.00 H new ATOM 0 HA ARG A 73 8.818 2.267 10.738 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.091 0.309 9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.317 0.664 10.449 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.033 -0.967 11.570 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.319 0.511 12.184 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.729 0.299 10.050 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.228 -1.381 10.075 1.00 0.00 H new ATOM 0 HE ARG A 73 7.361 -0.437 12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.283 -1.363 9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.828 -2.174 10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.568 -1.602 13.514 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.427 -2.307 12.364 1.00 0.00 H new ATOM 1147 N ALA A 74 11.525 3.894 10.416 1.00 0.00 N ATOM 1148 CA ALA A 74 12.527 4.729 11.139 1.00 0.00 C ATOM 1149 C ALA A 74 11.809 5.769 12.001 1.00 0.00 C ATOM 1150 O ALA A 74 12.321 6.215 13.008 1.00 0.00 O ATOM 1151 CB ALA A 74 13.420 5.442 10.122 1.00 0.00 C ATOM 0 H ALA A 74 11.460 4.066 9.413 1.00 0.00 H new ATOM 0 HA ALA A 74 13.135 4.090 11.779 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.154 6.053 10.647 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.936 4.703 9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.808 6.079 9.484 1.00 0.00 H new ATOM 1157 N ASP A 75 10.629 6.163 11.610 1.00 0.00 N ATOM 1158 CA ASP A 75 9.879 7.179 12.403 1.00 0.00 C ATOM 1159 C ASP A 75 9.824 6.748 13.872 1.00 0.00 C ATOM 1160 O ASP A 75 10.369 5.732 14.253 1.00 0.00 O ATOM 1161 CB ASP A 75 8.457 7.304 11.854 1.00 0.00 C ATOM 1162 CG ASP A 75 8.234 8.726 11.335 1.00 0.00 C ATOM 1163 OD1 ASP A 75 8.137 9.626 12.153 1.00 0.00 O ATOM 1164 OD2 ASP A 75 8.163 8.892 10.128 1.00 0.00 O ATOM 0 H ASP A 75 10.151 5.825 10.775 1.00 0.00 H new ATOM 0 HA ASP A 75 10.385 8.142 12.328 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.301 6.584 11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.733 7.073 12.635 1.00 0.00 H new ATOM 1169 N GLY A 76 9.168 7.518 14.699 1.00 0.00 N ATOM 1170 CA GLY A 76 9.080 7.158 16.143 1.00 0.00 C ATOM 1171 C GLY A 76 8.288 5.857 16.306 1.00 0.00 C ATOM 1172 O GLY A 76 8.350 4.974 15.475 1.00 0.00 O ATOM 0 H GLY A 76 8.690 8.380 14.437 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.080 7.040 16.559 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.596 7.961 16.699 1.00 0.00 H new ATOM 1176 N ALA A 77 7.547 5.734 17.374 1.00 0.00 N ATOM 1177 CA ALA A 77 6.754 4.491 17.594 1.00 0.00 C ATOM 1178 C ALA A 77 5.535 4.491 16.671 1.00 0.00 C ATOM 1179 O ALA A 77 4.867 3.489 16.509 1.00 0.00 O ATOM 1180 CB ALA A 77 6.289 4.435 19.050 1.00 0.00 C ATOM 0 H ALA A 77 7.457 6.441 18.104 1.00 0.00 H new ATOM 0 HA ALA A 77 7.375 3.622 17.375 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.709 3.526 19.212 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.157 4.434 19.709 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.669 5.305 19.268 1.00 0.00 H new ATOM 1186 N MET A 78 5.238 5.607 16.064 1.00 0.00 N ATOM 1187 CA MET A 78 4.061 5.669 15.152 1.00 0.00 C ATOM 1188 C MET A 78 4.497 5.312 13.733 1.00 0.00 C ATOM 1189 O MET A 78 3.692 5.257 12.824 1.00 0.00 O ATOM 1190 CB MET A 78 3.482 7.085 15.165 1.00 0.00 C ATOM 1191 CG MET A 78 2.015 7.034 15.595 1.00 0.00 C ATOM 1192 SD MET A 78 1.345 8.714 15.653 1.00 0.00 S ATOM 1193 CE MET A 78 0.469 8.662 14.069 1.00 0.00 C ATOM 0 H MET A 78 5.759 6.478 16.160 1.00 0.00 H new ATOM 0 HA MET A 78 3.303 4.962 15.488 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.050 7.715 15.849 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.566 7.533 14.175 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.441 6.426 14.896 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.928 6.562 16.574 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.028 9.617 13.897 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.181 8.473 13.266 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.274 7.865 14.090 1.00 0.00 H new ATOM 1203 N SER A 79 5.765 5.073 13.531 1.00 0.00 N ATOM 1204 CA SER A 79 6.246 4.726 12.166 1.00 0.00 C ATOM 1205 C SER A 79 5.651 5.716 11.165 1.00 0.00 C ATOM 1206 O SER A 79 5.853 6.909 11.264 1.00 0.00 O ATOM 1207 CB SER A 79 5.793 3.310 11.810 1.00 0.00 C ATOM 1208 OG SER A 79 6.149 2.425 12.864 1.00 0.00 O ATOM 0 H SER A 79 6.486 5.103 14.252 1.00 0.00 H new ATOM 0 HA SER A 79 7.334 4.775 12.134 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.715 3.290 11.651 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.259 2.990 10.878 1.00 0.00 H new ATOM 0 HG SER A 79 5.859 1.516 12.640 1.00 0.00 H new ATOM 1214 N ALA A 80 4.903 5.235 10.216 1.00 0.00 N ATOM 1215 CA ALA A 80 4.281 6.152 9.231 1.00 0.00 C ATOM 1216 C ALA A 80 2.967 5.552 8.746 1.00 0.00 C ATOM 1217 O ALA A 80 2.753 5.383 7.564 1.00 0.00 O ATOM 1218 CB ALA A 80 5.210 6.368 8.037 1.00 0.00 C ATOM 0 H ALA A 80 4.696 4.245 10.081 1.00 0.00 H new ATOM 0 HA ALA A 80 4.099 7.113 9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.736 7.044 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.149 6.803 8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.409 5.412 7.553 1.00 0.00 H new ATOM 1224 N LEU A 81 2.070 5.267 9.653 1.00 0.00 N ATOM 1225 CA LEU A 81 0.758 4.723 9.264 1.00 0.00 C ATOM 1226 C LEU A 81 0.945 3.410 8.454 1.00 0.00 C ATOM 1227 O LEU A 81 2.003 3.189 7.898 1.00 0.00 O ATOM 1228 CB LEU A 81 0.074 5.830 8.469 1.00 0.00 C ATOM 1229 CG LEU A 81 0.293 7.178 9.184 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -0.579 8.250 8.539 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -0.092 7.047 10.661 1.00 0.00 C ATOM 0 H LEU A 81 2.203 5.393 10.656 1.00 0.00 H new ATOM 0 HA LEU A 81 0.140 4.448 10.119 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.479 5.871 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.992 5.623 8.377 1.00 0.00 H new ATOM 0 HG LEU A 81 1.343 7.458 9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.422 9.201 9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.312 8.352 7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.628 7.964 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.064 8.002 11.164 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.141 6.763 10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.527 6.283 11.132 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.063 2.539 8.453 1.00 0.00 N ATOM 1244 CA PRO A 82 0.024 1.224 7.766 1.00 0.00 C ATOM 1245 C PRO A 82 0.458 1.289 6.297 1.00 0.00 C ATOM 1246 O PRO A 82 0.028 2.124 5.523 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.387 0.626 7.866 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.265 1.616 8.660 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.369 2.775 9.118 1.00 0.00 C ATOM 0 HA PRO A 82 0.798 0.625 8.246 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.802 0.460 6.872 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.357 -0.343 8.365 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.081 1.986 8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.718 1.121 9.519 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.791 3.738 8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.263 2.787 10.203 1.00 0.00 H new ATOM 1257 N VAL A 83 1.277 0.340 5.919 1.00 0.00 N ATOM 1258 CA VAL A 83 1.750 0.214 4.511 1.00 0.00 C ATOM 1259 C VAL A 83 1.515 -1.220 4.082 1.00 0.00 C ATOM 1260 O VAL A 83 2.126 -2.121 4.619 1.00 0.00 O ATOM 1261 CB VAL A 83 3.264 0.460 4.414 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.859 -0.342 3.233 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.555 1.935 4.192 1.00 0.00 C ATOM 0 H VAL A 83 1.647 -0.372 6.549 1.00 0.00 H new ATOM 0 HA VAL A 83 1.220 0.939 3.893 1.00 0.00 H new ATOM 0 HB VAL A 83 3.717 0.137 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.932 -0.160 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.679 -1.406 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.386 -0.026 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.632 2.087 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.085 2.263 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.157 2.514 5.025 1.00 0.00 H new ATOM 1273 N LEU A 84 0.686 -1.452 3.106 1.00 0.00 N ATOM 1274 CA LEU A 84 0.501 -2.853 2.652 1.00 0.00 C ATOM 1275 C LEU A 84 1.280 -3.008 1.361 1.00 0.00 C ATOM 1276 O LEU A 84 0.923 -2.466 0.334 1.00 0.00 O ATOM 1277 CB LEU A 84 -0.994 -3.160 2.448 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.262 -4.644 2.064 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.187 -5.606 2.595 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.602 -5.071 2.662 1.00 0.00 C ATOM 0 H LEU A 84 0.139 -0.747 2.612 1.00 0.00 H new ATOM 0 HA LEU A 84 0.866 -3.559 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.536 -2.924 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.389 -2.511 1.667 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.256 -4.698 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.430 -6.625 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.784 -5.329 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.152 -5.547 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.803 -6.110 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.565 -4.971 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.396 -4.437 2.266 1.00 0.00 H new ATOM 1292 N MET A 85 2.367 -3.724 1.410 1.00 0.00 N ATOM 1293 CA MET A 85 3.181 -3.878 0.186 1.00 0.00 C ATOM 1294 C MET A 85 2.380 -4.683 -0.836 1.00 0.00 C ATOM 1295 O MET A 85 1.714 -5.640 -0.491 1.00 0.00 O ATOM 1296 CB MET A 85 4.487 -4.599 0.521 1.00 0.00 C ATOM 1297 CG MET A 85 5.566 -4.195 -0.486 1.00 0.00 C ATOM 1298 SD MET A 85 6.476 -2.762 0.149 1.00 0.00 S ATOM 1299 CE MET A 85 6.060 -1.610 -1.183 1.00 0.00 C ATOM 0 H MET A 85 2.720 -4.203 2.238 1.00 0.00 H new ATOM 0 HA MET A 85 3.423 -2.899 -0.228 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.805 -4.346 1.532 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.336 -5.678 0.495 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.249 -5.027 -0.657 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.111 -3.954 -1.447 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.293 -0.592 -0.870 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.639 -1.858 -2.072 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.997 -1.685 -1.410 1.00 0.00 H new ATOM 1309 N VAL A 86 2.425 -4.292 -2.081 1.00 0.00 N ATOM 1310 CA VAL A 86 1.648 -5.016 -3.131 1.00 0.00 C ATOM 1311 C VAL A 86 2.597 -5.644 -4.149 1.00 0.00 C ATOM 1312 O VAL A 86 3.580 -5.049 -4.540 1.00 0.00 O ATOM 1313 CB VAL A 86 0.738 -4.016 -3.839 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.445 -4.755 -4.444 1.00 0.00 C ATOM 1315 CG2 VAL A 86 0.216 -2.997 -2.825 1.00 0.00 C ATOM 0 H VAL A 86 2.969 -3.498 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 86 1.057 -5.806 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 86 1.300 -3.506 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.098 -4.044 -4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.085 -5.492 -5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.002 -5.259 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.434 -2.282 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.347 -3.513 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.056 -2.468 -2.375 1.00 0.00 H new ATOM 1325 N THR A 87 2.310 -6.841 -4.593 1.00 0.00 N ATOM 1326 CA THR A 87 3.211 -7.480 -5.597 1.00 0.00 C ATOM 1327 C THR A 87 2.404 -8.416 -6.492 1.00 0.00 C ATOM 1328 O THR A 87 1.282 -8.758 -6.190 1.00 0.00 O ATOM 1329 CB THR A 87 4.300 -8.278 -4.878 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.724 -9.350 -5.709 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.745 -8.833 -3.568 1.00 0.00 C ATOM 0 H THR A 87 1.503 -7.396 -4.309 1.00 0.00 H new ATOM 0 HA THR A 87 3.673 -6.704 -6.207 1.00 0.00 H new ATOM 0 HB THR A 87 5.148 -7.628 -4.663 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.423 -9.862 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.521 -9.402 -3.056 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.420 -8.009 -2.933 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.897 -9.485 -3.779 1.00 0.00 H new ATOM 1339 N ALA A 88 2.974 -8.836 -7.590 1.00 0.00 N ATOM 1340 CA ALA A 88 2.246 -9.759 -8.508 1.00 0.00 C ATOM 1341 C ALA A 88 2.736 -11.188 -8.268 1.00 0.00 C ATOM 1342 O ALA A 88 3.920 -11.453 -8.267 1.00 0.00 O ATOM 1343 CB ALA A 88 2.522 -9.362 -9.960 1.00 0.00 C ATOM 0 H ALA A 88 3.914 -8.579 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 88 1.175 -9.698 -8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.989 -10.037 -10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.181 -8.340 -10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.592 -9.425 -10.157 1.00 0.00 H new ATOM 1349 N GLU A 89 1.835 -12.108 -8.057 1.00 0.00 N ATOM 1350 CA GLU A 89 2.261 -13.514 -7.809 1.00 0.00 C ATOM 1351 C GLU A 89 3.328 -13.526 -6.713 1.00 0.00 C ATOM 1352 O GLU A 89 4.502 -13.354 -6.978 1.00 0.00 O ATOM 1353 CB GLU A 89 2.840 -14.110 -9.094 1.00 0.00 C ATOM 1354 CG GLU A 89 3.010 -15.620 -8.924 1.00 0.00 C ATOM 1355 CD GLU A 89 3.438 -16.240 -10.256 1.00 0.00 C ATOM 1356 OE1 GLU A 89 2.563 -16.601 -11.026 1.00 0.00 O ATOM 1357 OE2 GLU A 89 4.632 -16.342 -10.483 1.00 0.00 O ATOM 0 H GLU A 89 0.828 -11.948 -8.046 1.00 0.00 H new ATOM 0 HA GLU A 89 1.403 -14.108 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.179 -13.900 -9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.801 -13.648 -9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.756 -15.828 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.074 -16.066 -8.587 1.00 0.00 H new ATOM 1364 N ALA A 90 2.928 -13.720 -5.484 1.00 0.00 N ATOM 1365 CA ALA A 90 3.917 -13.736 -4.368 1.00 0.00 C ATOM 1366 C ALA A 90 5.134 -14.573 -4.768 1.00 0.00 C ATOM 1367 O ALA A 90 5.148 -15.779 -4.627 1.00 0.00 O ATOM 1368 CB ALA A 90 3.265 -14.330 -3.120 1.00 0.00 C ATOM 0 H ALA A 90 1.958 -13.868 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 90 4.241 -12.717 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.987 -14.342 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.405 -13.724 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.937 -15.348 -3.330 1.00 0.00 H new ATOM 1374 N LYS A 91 6.157 -13.936 -5.272 1.00 0.00 N ATOM 1375 CA LYS A 91 7.374 -14.686 -5.687 1.00 0.00 C ATOM 1376 C LYS A 91 8.182 -15.072 -4.448 1.00 0.00 C ATOM 1377 O LYS A 91 9.342 -15.415 -4.538 1.00 0.00 O ATOM 1378 CB LYS A 91 8.228 -13.805 -6.600 1.00 0.00 C ATOM 1379 CG LYS A 91 8.668 -14.611 -7.823 1.00 0.00 C ATOM 1380 CD LYS A 91 9.668 -13.794 -8.642 1.00 0.00 C ATOM 1381 CE LYS A 91 9.175 -13.680 -10.086 1.00 0.00 C ATOM 1382 NZ LYS A 91 10.131 -12.852 -10.875 1.00 0.00 N ATOM 0 H LYS A 91 6.201 -12.927 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 91 7.080 -15.588 -6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.659 -12.930 -6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.101 -13.441 -6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.122 -15.551 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.802 -14.865 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.785 -12.801 -8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.648 -14.270 -8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.084 -14.671 -10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.183 -13.229 -10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.796 -12.775 -11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.196 -11.903 -10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.069 -13.300 -10.864 1.00 0.00 H new ATOM 1396 N LYS A 92 7.572 -15.017 -3.293 1.00 0.00 N ATOM 1397 CA LYS A 92 8.294 -15.384 -2.039 1.00 0.00 C ATOM 1398 C LYS A 92 9.354 -14.324 -1.718 1.00 0.00 C ATOM 1399 O LYS A 92 9.230 -13.577 -0.770 1.00 0.00 O ATOM 1400 CB LYS A 92 8.969 -16.749 -2.217 1.00 0.00 C ATOM 1401 CG LYS A 92 9.098 -17.445 -0.860 1.00 0.00 C ATOM 1402 CD LYS A 92 10.361 -18.310 -0.851 1.00 0.00 C ATOM 1403 CE LYS A 92 10.393 -19.159 0.421 1.00 0.00 C ATOM 1404 NZ LYS A 92 11.739 -19.782 0.568 1.00 0.00 N ATOM 0 H LYS A 92 6.601 -14.733 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 92 7.580 -15.436 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.385 -17.367 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.954 -16.622 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.145 -16.704 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.220 -18.062 -0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.379 -18.954 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.247 -17.678 -0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.170 -18.540 1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.626 -19.932 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.762 -20.359 1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.934 -20.385 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.462 -19.037 0.630 1.00 0.00 H new ATOM 1418 N GLU A 93 10.400 -14.262 -2.494 1.00 0.00 N ATOM 1419 CA GLU A 93 11.469 -13.263 -2.228 1.00 0.00 C ATOM 1420 C GLU A 93 10.857 -11.872 -2.040 1.00 0.00 C ATOM 1421 O GLU A 93 11.167 -11.171 -1.099 1.00 0.00 O ATOM 1422 CB GLU A 93 12.446 -13.240 -3.409 1.00 0.00 C ATOM 1423 CG GLU A 93 13.622 -12.306 -3.099 1.00 0.00 C ATOM 1424 CD GLU A 93 13.212 -10.844 -3.315 1.00 0.00 C ATOM 1425 OE1 GLU A 93 12.181 -10.617 -3.927 1.00 0.00 O ATOM 1426 OE2 GLU A 93 13.940 -9.976 -2.863 1.00 0.00 O ATOM 0 H GLU A 93 10.560 -14.862 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 93 11.999 -13.540 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.813 -14.247 -3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.932 -12.905 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.949 -12.451 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.469 -12.552 -3.740 1.00 0.00 H new ATOM 1433 N ASN A 94 10.001 -11.460 -2.937 1.00 0.00 N ATOM 1434 CA ASN A 94 9.387 -10.104 -2.812 1.00 0.00 C ATOM 1435 C ASN A 94 8.505 -10.028 -1.563 1.00 0.00 C ATOM 1436 O ASN A 94 8.791 -9.303 -0.632 1.00 0.00 O ATOM 1437 CB ASN A 94 8.536 -9.805 -4.049 1.00 0.00 C ATOM 1438 CG ASN A 94 8.481 -11.040 -4.950 1.00 0.00 C ATOM 1439 OD1 ASN A 94 7.930 -12.056 -4.576 1.00 0.00 O ATOM 1440 ND2 ASN A 94 9.034 -10.994 -6.132 1.00 0.00 N ATOM 0 H ASN A 94 9.701 -12.001 -3.748 1.00 0.00 H new ATOM 0 HA ASN A 94 10.187 -9.368 -2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.529 -9.518 -3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 94 8.957 -8.962 -4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.003 -11.811 -6.742 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.497 -10.141 -6.446 1.00 0.00 H new ATOM 1447 N ILE A 95 7.427 -10.756 -1.545 1.00 0.00 N ATOM 1448 CA ILE A 95 6.512 -10.715 -0.365 1.00 0.00 C ATOM 1449 C ILE A 95 7.328 -10.800 0.932 1.00 0.00 C ATOM 1450 O ILE A 95 7.061 -10.095 1.884 1.00 0.00 O ATOM 1451 CB ILE A 95 5.498 -11.874 -0.461 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.337 -12.582 0.900 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.971 -12.880 -1.511 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.203 -13.610 0.826 1.00 0.00 C ATOM 0 H ILE A 95 7.136 -11.381 -2.297 1.00 0.00 H new ATOM 0 HA ILE A 95 5.962 -9.774 -0.357 1.00 0.00 H new ATOM 0 HB ILE A 95 4.531 -11.464 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.269 -13.076 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.124 -11.849 1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.255 -13.699 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.050 -12.386 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.946 -13.274 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.097 -14.105 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.271 -13.106 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.434 -14.352 0.062 1.00 0.00 H new ATOM 1466 N ILE A 96 8.313 -11.655 0.985 1.00 0.00 N ATOM 1467 CA ILE A 96 9.124 -11.766 2.235 1.00 0.00 C ATOM 1468 C ILE A 96 10.085 -10.582 2.330 1.00 0.00 C ATOM 1469 O ILE A 96 10.427 -10.136 3.406 1.00 0.00 O ATOM 1470 CB ILE A 96 9.931 -13.067 2.226 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.001 -14.243 2.554 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.042 -12.975 3.279 1.00 0.00 C ATOM 1473 CD1 ILE A 96 9.745 -15.572 2.381 1.00 0.00 C ATOM 0 H ILE A 96 8.591 -12.277 0.226 1.00 0.00 H new ATOM 0 HA ILE A 96 8.450 -11.765 3.092 1.00 0.00 H new ATOM 0 HB ILE A 96 10.374 -13.223 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.636 -14.153 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.128 -14.219 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.621 -13.898 3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.697 -12.136 3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.599 -12.825 4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.074 -16.398 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.088 -15.666 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.603 -15.599 3.053 1.00 0.00 H new ATOM 1485 N ALA A 97 10.531 -10.073 1.217 1.00 0.00 N ATOM 1486 CA ALA A 97 11.475 -8.922 1.254 1.00 0.00 C ATOM 1487 C ALA A 97 10.816 -7.740 1.960 1.00 0.00 C ATOM 1488 O ALA A 97 11.399 -7.124 2.829 1.00 0.00 O ATOM 1489 CB ALA A 97 11.852 -8.525 -0.172 1.00 0.00 C ATOM 0 H ALA A 97 10.283 -10.403 0.284 1.00 0.00 H new ATOM 0 HA ALA A 97 12.374 -9.209 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.543 -7.682 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.329 -9.369 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.954 -8.240 -0.720 1.00 0.00 H new ATOM 1495 N ALA A 98 9.605 -7.419 1.608 1.00 0.00 N ATOM 1496 CA ALA A 98 8.928 -6.279 2.287 1.00 0.00 C ATOM 1497 C ALA A 98 8.633 -6.683 3.721 1.00 0.00 C ATOM 1498 O ALA A 98 8.988 -5.999 4.661 1.00 0.00 O ATOM 1499 CB ALA A 98 7.603 -5.951 1.601 1.00 0.00 C ATOM 0 H ALA A 98 9.058 -7.890 0.887 1.00 0.00 H new ATOM 0 HA ALA A 98 9.578 -5.405 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.125 -5.116 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.789 -5.681 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.948 -6.822 1.639 1.00 0.00 H new ATOM 1505 N ALA A 99 7.972 -7.790 3.895 1.00 0.00 N ATOM 1506 CA ALA A 99 7.638 -8.239 5.259 1.00 0.00 C ATOM 1507 C ALA A 99 8.926 -8.388 6.073 1.00 0.00 C ATOM 1508 O ALA A 99 8.919 -8.263 7.281 1.00 0.00 O ATOM 1509 CB ALA A 99 6.916 -9.582 5.199 1.00 0.00 C ATOM 0 H ALA A 99 7.650 -8.401 3.144 1.00 0.00 H new ATOM 0 HA ALA A 99 6.988 -7.503 5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.672 -9.909 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.999 -9.476 4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.561 -10.321 4.725 1.00 0.00 H new ATOM 1515 N GLN A 100 10.041 -8.638 5.429 1.00 0.00 N ATOM 1516 CA GLN A 100 11.307 -8.755 6.204 1.00 0.00 C ATOM 1517 C GLN A 100 11.409 -7.487 7.033 1.00 0.00 C ATOM 1518 O GLN A 100 11.884 -7.481 8.151 1.00 0.00 O ATOM 1519 CB GLN A 100 12.511 -8.862 5.263 1.00 0.00 C ATOM 1520 CG GLN A 100 13.792 -9.006 6.090 1.00 0.00 C ATOM 1521 CD GLN A 100 14.893 -9.628 5.229 1.00 0.00 C ATOM 1522 OE1 GLN A 100 14.802 -9.566 3.930 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 15.844 -10.178 5.746 1.00 0.00 N flip ATOM 0 H GLN A 100 10.126 -8.763 4.420 1.00 0.00 H new ATOM 0 HA GLN A 100 11.304 -9.649 6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.394 -9.720 4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.571 -7.977 4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.111 -8.031 6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.604 -9.630 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 100 15.915 -10.226 6.762 1.00 0.00 H new ATOM 0 HE22 GLN A 100 16.572 -10.592 5.164 1.00 0.00 H new ATOM 1532 N ALA A 101 10.901 -6.418 6.487 1.00 0.00 N ATOM 1533 CA ALA A 101 10.883 -5.130 7.222 1.00 0.00 C ATOM 1534 C ALA A 101 9.609 -5.143 8.059 1.00 0.00 C ATOM 1535 O ALA A 101 9.499 -4.499 9.084 1.00 0.00 O ATOM 1536 CB ALA A 101 10.851 -3.972 6.223 1.00 0.00 C ATOM 0 H ALA A 101 10.494 -6.385 5.552 1.00 0.00 H new ATOM 0 HA ALA A 101 11.766 -5.005 7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.838 -3.026 6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.736 -4.015 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.957 -4.049 5.605 1.00 0.00 H new ATOM 1542 N GLY A 102 8.660 -5.930 7.626 1.00 0.00 N ATOM 1543 CA GLY A 102 7.384 -6.087 8.362 1.00 0.00 C ATOM 1544 C GLY A 102 6.550 -4.816 8.324 1.00 0.00 C ATOM 1545 O GLY A 102 6.454 -4.112 9.309 1.00 0.00 O ATOM 0 H GLY A 102 8.724 -6.482 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.814 -6.909 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.592 -6.354 9.398 1.00 0.00 H new ATOM 1549 N ALA A 103 5.914 -4.506 7.223 1.00 0.00 N ATOM 1550 CA ALA A 103 5.087 -3.275 7.244 1.00 0.00 C ATOM 1551 C ALA A 103 3.711 -3.615 7.795 1.00 0.00 C ATOM 1552 O ALA A 103 3.551 -4.004 8.935 1.00 0.00 O ATOM 1553 CB ALA A 103 4.886 -2.812 5.807 1.00 0.00 C ATOM 0 H ALA A 103 5.931 -5.030 6.348 1.00 0.00 H new ATOM 0 HA ALA A 103 5.575 -2.512 7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.279 -1.906 5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.855 -2.604 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.380 -3.593 5.240 1.00 0.00 H new ATOM 1559 N SER A 104 2.735 -3.546 6.948 1.00 0.00 N ATOM 1560 CA SER A 104 1.356 -3.949 7.348 1.00 0.00 C ATOM 1561 C SER A 104 1.182 -5.422 7.015 1.00 0.00 C ATOM 1562 O SER A 104 0.679 -6.211 7.790 1.00 0.00 O ATOM 1563 CB SER A 104 0.298 -3.123 6.618 1.00 0.00 C ATOM 1564 OG SER A 104 0.527 -1.745 6.863 1.00 0.00 O ATOM 0 H SER A 104 2.827 -3.225 5.984 1.00 0.00 H new ATOM 0 HA SER A 104 1.226 -3.774 8.416 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.337 -3.325 5.548 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.698 -3.404 6.959 1.00 0.00 H new ATOM 0 HG SER A 104 0.981 -1.637 7.725 1.00 0.00 H new ATOM 1570 N GLY A 105 1.590 -5.773 5.821 1.00 0.00 N ATOM 1571 CA GLY A 105 1.459 -7.176 5.341 1.00 0.00 C ATOM 1572 C GLY A 105 1.813 -7.243 3.852 1.00 0.00 C ATOM 1573 O GLY A 105 2.467 -6.362 3.316 1.00 0.00 O ATOM 0 H GLY A 105 2.015 -5.133 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.118 -7.830 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.441 -7.532 5.500 1.00 0.00 H new ATOM 1577 N TYR A 106 1.371 -8.278 3.184 1.00 0.00 N ATOM 1578 CA TYR A 106 1.651 -8.419 1.724 1.00 0.00 C ATOM 1579 C TYR A 106 0.392 -8.919 1.023 1.00 0.00 C ATOM 1580 O TYR A 106 -0.217 -9.882 1.444 1.00 0.00 O ATOM 1581 CB TYR A 106 2.761 -9.446 1.483 1.00 0.00 C ATOM 1582 CG TYR A 106 2.237 -10.505 0.533 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.248 -10.284 -0.853 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.719 -11.703 1.040 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.745 -11.260 -1.720 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.212 -12.674 0.172 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.224 -12.453 -1.208 1.00 0.00 C ATOM 1588 OH TYR A 106 0.723 -13.413 -2.063 1.00 0.00 O ATOM 0 H TYR A 106 0.824 -9.037 3.591 1.00 0.00 H new ATOM 0 HA TYR A 106 1.960 -7.448 1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.641 -8.961 1.061 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.068 -9.900 2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.644 -9.361 -1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.711 -11.877 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.759 -11.092 -2.787 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.811 -13.595 0.568 1.00 0.00 H new ATOM 0 HH TYR A 106 0.402 -14.179 -1.543 1.00 0.00 H new ATOM 1598 N VAL A 107 0.016 -8.287 -0.055 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.187 -8.735 -0.812 1.00 0.00 C ATOM 1600 C VAL A 107 -0.789 -8.917 -2.273 1.00 0.00 C ATOM 1601 O VAL A 107 -0.323 -7.997 -2.923 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.296 -7.685 -0.708 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -1.858 -6.415 -1.426 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.570 -8.211 -1.374 1.00 0.00 C ATOM 0 H VAL A 107 0.493 -7.475 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.559 -9.673 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.490 -7.474 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.646 -5.666 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.949 -6.031 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.665 -6.638 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.357 -7.461 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.371 -8.422 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.891 -9.125 -0.875 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.950 -10.096 -2.798 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.565 -10.320 -4.213 1.00 0.00 C ATOM 1616 C VAL A 108 -1.551 -9.582 -5.119 1.00 0.00 C ATOM 1617 O VAL A 108 -2.659 -9.291 -4.721 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.605 -11.816 -4.532 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.894 -12.423 -3.976 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.565 -12.016 -6.049 1.00 0.00 C ATOM 0 H VAL A 108 -1.329 -10.909 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 108 0.445 -9.946 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 108 0.255 -12.306 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.922 -13.489 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.926 -12.282 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.754 -11.932 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.593 -13.082 -6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.425 -11.525 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.352 -11.584 -6.449 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.157 -9.284 -6.331 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.066 -8.566 -7.274 1.00 0.00 C ATOM 1632 C LYS A 109 -2.054 -9.311 -8.625 1.00 0.00 C ATOM 1633 O LYS A 109 -1.118 -10.035 -8.897 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.552 -7.119 -7.439 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.923 -6.902 -8.826 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.293 -5.504 -8.892 1.00 0.00 C ATOM 1637 CE LYS A 109 0.898 -5.409 -7.930 1.00 0.00 C ATOM 1638 NZ LYS A 109 2.008 -4.666 -8.591 1.00 0.00 N ATOM 0 H LYS A 109 -0.237 -9.509 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.088 -8.537 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.376 -6.420 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.815 -6.903 -6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.166 -7.663 -9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.682 -7.007 -9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.036 -5.294 -9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.037 -4.750 -8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.600 -4.900 -7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.232 -6.407 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.817 -4.600 -7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.297 -5.169 -9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.685 -3.709 -8.840 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.056 -9.098 -9.458 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.220 -8.225 -9.173 1.00 0.00 C ATOM 1654 C PRO A 110 -5.161 -8.899 -8.167 1.00 0.00 C ATOM 1655 O PRO A 110 -5.591 -10.019 -8.364 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.945 -8.095 -10.520 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.171 -8.948 -11.555 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.068 -9.702 -10.799 1.00 0.00 C ATOM 0 HA PRO A 110 -3.915 -7.267 -8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.976 -8.439 -10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.983 -7.052 -10.835 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.842 -9.648 -12.053 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.740 -8.313 -12.329 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.280 -10.770 -10.751 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.102 -9.591 -11.292 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.483 -8.231 -7.095 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.396 -8.844 -6.089 1.00 0.00 C ATOM 1668 C PHE A 111 -7.834 -8.473 -6.405 1.00 0.00 C ATOM 1669 O PHE A 111 -8.109 -7.497 -7.075 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.072 -8.314 -4.691 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.736 -6.854 -4.782 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.755 -5.896 -4.848 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.403 -6.457 -4.824 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.423 -4.542 -4.960 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.076 -5.108 -4.933 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.083 -4.150 -5.004 1.00 0.00 C ATOM 0 H PHE A 111 -5.156 -7.291 -6.872 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.264 -9.925 -6.122 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.923 -8.463 -4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.234 -8.866 -4.265 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.791 -6.201 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.619 -7.198 -4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.204 -3.798 -5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.040 -4.805 -4.962 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.829 -3.104 -5.093 1.00 0.00 H new ATOM 1686 N THR A 112 -8.753 -9.228 -5.891 1.00 0.00 N ATOM 1687 CA THR A 112 -10.184 -8.910 -6.113 1.00 0.00 C ATOM 1688 C THR A 112 -10.649 -8.060 -4.935 1.00 0.00 C ATOM 1689 O THR A 112 -10.140 -8.186 -3.840 1.00 0.00 O ATOM 1690 CB THR A 112 -11.002 -10.201 -6.174 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.177 -11.259 -6.643 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.185 -10.013 -7.125 1.00 0.00 C ATOM 0 H THR A 112 -8.575 -10.057 -5.323 1.00 0.00 H new ATOM 0 HA THR A 112 -10.318 -8.376 -7.054 1.00 0.00 H new ATOM 0 HB THR A 112 -11.375 -10.444 -5.179 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.698 -12.088 -6.681 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.767 -10.933 -7.168 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.816 -9.201 -6.764 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.816 -9.771 -8.122 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.592 -7.190 -5.133 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.044 -6.350 -3.993 1.00 0.00 C ATOM 1702 C ALA A 113 -12.336 -7.254 -2.802 1.00 0.00 C ATOM 1703 O ALA A 113 -12.087 -6.900 -1.668 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.308 -5.578 -4.386 1.00 0.00 C ATOM 0 H ALA A 113 -12.065 -7.024 -6.021 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.265 -5.634 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.635 -4.964 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.092 -4.938 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.097 -6.282 -4.650 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.837 -8.429 -3.046 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.110 -9.349 -1.917 1.00 0.00 C ATOM 1712 C ALA A 114 -11.774 -9.774 -1.318 1.00 0.00 C ATOM 1713 O ALA A 114 -11.657 -9.999 -0.130 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.878 -10.575 -2.416 1.00 0.00 C ATOM 0 H ALA A 114 -13.067 -8.789 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.717 -8.850 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.075 -11.246 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.823 -10.258 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.284 -11.096 -3.167 1.00 0.00 H new ATOM 1720 N THR A 115 -10.756 -9.861 -2.130 1.00 0.00 N ATOM 1721 CA THR A 115 -9.424 -10.243 -1.596 1.00 0.00 C ATOM 1722 C THR A 115 -8.873 -9.055 -0.800 1.00 0.00 C ATOM 1723 O THR A 115 -8.770 -9.129 0.408 1.00 0.00 O ATOM 1724 CB THR A 115 -8.485 -10.616 -2.746 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.833 -11.906 -3.231 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.035 -10.634 -2.253 1.00 0.00 C ATOM 0 H THR A 115 -10.791 -9.685 -3.134 1.00 0.00 H new ATOM 0 HA THR A 115 -9.508 -11.113 -0.944 1.00 0.00 H new ATOM 0 HB THR A 115 -8.581 -9.880 -3.544 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.236 -12.150 -3.969 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.374 -10.900 -3.077 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.766 -9.647 -1.877 1.00 0.00 H new ATOM 0 HG23 THR A 115 -6.932 -11.368 -1.453 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.531 -7.950 -1.438 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.021 -6.796 -0.642 1.00 0.00 C ATOM 1736 C LEU A 116 -8.952 -6.555 0.553 1.00 0.00 C ATOM 1737 O LEU A 116 -8.508 -6.210 1.631 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.978 -5.536 -1.508 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.683 -4.763 -1.236 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.480 -5.559 -1.748 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.734 -3.412 -1.954 1.00 0.00 C ATOM 0 H LEU A 116 -8.584 -7.807 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.014 -7.023 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.036 -5.806 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.841 -4.906 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.582 -4.608 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.564 -5.002 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.437 -6.521 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.581 -5.722 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.813 -2.862 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.842 -3.574 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.584 -2.837 -1.587 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.242 -6.734 0.382 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.169 -6.510 1.523 1.00 0.00 C ATOM 1755 C GLU A 117 -10.836 -7.498 2.640 1.00 0.00 C ATOM 1756 O GLU A 117 -10.428 -7.119 3.717 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.617 -6.725 1.064 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.579 -6.629 2.257 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.373 -5.300 2.989 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.299 -4.283 2.319 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -13.291 -5.324 4.206 1.00 0.00 O ATOM 0 H GLU A 117 -10.683 -7.023 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.057 -5.489 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.882 -5.979 0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.713 -7.702 0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.610 -6.707 1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.408 -7.461 2.941 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.013 -8.763 2.383 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.716 -9.792 3.419 1.00 0.00 C ATOM 1770 C GLU A 118 -9.372 -9.484 4.083 1.00 0.00 C ATOM 1771 O GLU A 118 -9.261 -9.436 5.292 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.650 -11.170 2.757 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.108 -12.239 3.749 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.701 -13.621 3.235 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -9.517 -13.826 3.020 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.578 -14.450 3.064 1.00 0.00 O ATOM 0 H GLU A 118 -11.353 -9.131 1.495 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.502 -9.783 4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.282 -11.189 1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.632 -11.378 2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.662 -12.057 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.189 -12.191 3.878 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.349 -9.277 3.300 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.012 -8.976 3.885 1.00 0.00 C ATOM 1785 C LYS A 119 -7.123 -7.765 4.815 1.00 0.00 C ATOM 1786 O LYS A 119 -6.740 -7.819 5.970 1.00 0.00 O ATOM 1787 CB LYS A 119 -6.025 -8.660 2.756 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.672 -9.313 3.051 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.728 -10.800 2.690 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.169 -11.011 1.279 1.00 0.00 C ATOM 1791 NZ LYS A 119 -5.001 -10.260 0.297 1.00 0.00 N ATOM 0 H LYS A 119 -8.381 -9.303 2.281 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.659 -9.838 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.416 -9.025 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.905 -7.581 2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.886 -8.819 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.422 -9.194 4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.152 -11.381 3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.756 -11.158 2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.135 -10.670 1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.166 -12.073 1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.708 -10.509 -0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.002 -10.507 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.874 -9.238 0.444 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.638 -6.672 4.325 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.760 -5.462 5.184 1.00 0.00 C ATOM 1807 C LEU A 120 -8.560 -5.805 6.445 1.00 0.00 C ATOM 1808 O LEU A 120 -8.202 -5.422 7.538 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.495 -4.345 4.425 1.00 0.00 C ATOM 1810 CG LEU A 120 -7.591 -3.682 3.369 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.348 -2.515 2.733 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -6.310 -3.130 4.006 1.00 0.00 C ATOM 0 H LEU A 120 -7.979 -6.564 3.370 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.759 -5.124 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.380 -4.757 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -8.841 -3.591 5.132 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.324 -4.433 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.717 -2.038 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -9.257 -2.886 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.610 -1.789 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.691 -2.668 3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.570 -2.386 4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.757 -3.944 4.476 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.646 -6.508 6.301 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.472 -6.857 7.491 1.00 0.00 C ATOM 1826 C ASN A 121 -9.578 -7.402 8.606 1.00 0.00 C ATOM 1827 O ASN A 121 -9.386 -6.774 9.629 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.501 -7.919 7.100 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.608 -7.969 8.155 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.346 -8.215 9.316 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.844 -7.744 7.800 1.00 0.00 N ATOM 0 H ASN A 121 -9.999 -6.857 5.410 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.983 -5.962 7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.925 -7.687 6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.020 -8.893 7.016 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.588 -7.775 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -14.065 -7.537 6.826 1.00 0.00 H new ATOM 1838 N LYS A 122 -9.041 -8.572 8.420 1.00 0.00 N ATOM 1839 CA LYS A 122 -8.169 -9.178 9.468 1.00 0.00 C ATOM 1840 C LYS A 122 -7.117 -8.167 9.936 1.00 0.00 C ATOM 1841 O LYS A 122 -6.638 -8.235 11.051 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.466 -10.409 8.893 1.00 0.00 C ATOM 1843 CG LYS A 122 -8.479 -11.543 8.721 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.759 -12.798 8.224 1.00 0.00 C ATOM 1845 CE LYS A 122 -8.377 -13.251 6.900 1.00 0.00 C ATOM 1846 NZ LYS A 122 -9.821 -13.556 7.105 1.00 0.00 N ATOM 0 H LYS A 122 -9.168 -9.141 7.583 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.787 -9.466 10.319 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.011 -10.165 7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.661 -10.724 9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.977 -11.747 9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.253 -11.250 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.697 -12.592 8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.838 -13.593 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.262 -12.471 6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -7.857 -14.133 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -10.109 -14.321 6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -9.977 -13.854 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -10.387 -12.706 6.907 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.739 -7.241 9.099 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.703 -6.249 9.513 1.00 0.00 C ATOM 1862 C ILE A 123 -6.324 -5.155 10.387 1.00 0.00 C ATOM 1863 O ILE A 123 -5.734 -4.721 11.357 1.00 0.00 O ATOM 1864 CB ILE A 123 -5.082 -5.607 8.273 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -4.141 -6.606 7.596 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.294 -4.361 8.682 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.782 -6.102 6.197 1.00 0.00 C ATOM 0 H ILE A 123 -7.099 -7.127 8.151 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.936 -6.769 10.087 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.873 -5.325 7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.237 -6.731 8.192 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.618 -7.584 7.530 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.851 -3.904 7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.964 -3.648 9.162 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.504 -4.642 9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -3.112 -6.814 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.690 -5.999 5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.288 -5.134 6.275 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.498 -4.688 10.054 1.00 0.00 N ATOM 1880 CA PHE A 124 -8.118 -3.612 10.872 1.00 0.00 C ATOM 1881 C PHE A 124 -8.631 -4.185 12.189 1.00 0.00 C ATOM 1882 O PHE A 124 -8.770 -3.477 13.167 1.00 0.00 O ATOM 1883 CB PHE A 124 -9.260 -2.962 10.091 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.664 -1.976 9.120 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -8.018 -0.831 9.599 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.729 -2.217 7.746 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.436 0.073 8.705 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.152 -1.311 6.852 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.507 -0.171 7.327 1.00 0.00 C ATOM 0 H PHE A 124 -8.049 -5.004 9.256 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.368 -2.853 11.094 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.836 -3.719 9.559 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.947 -2.458 10.771 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.969 -0.645 10.662 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.224 -3.102 7.375 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.934 0.955 9.075 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.206 -1.495 5.789 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.061 0.525 6.632 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.890 -5.460 12.244 1.00 0.00 N ATOM 1900 CA GLU A 125 -9.363 -6.048 13.524 1.00 0.00 C ATOM 1901 C GLU A 125 -8.262 -5.858 14.562 1.00 0.00 C ATOM 1902 O GLU A 125 -8.499 -5.883 15.754 1.00 0.00 O ATOM 1903 CB GLU A 125 -9.654 -7.539 13.338 1.00 0.00 C ATOM 1904 CG GLU A 125 -11.155 -7.746 13.129 1.00 0.00 C ATOM 1905 CD GLU A 125 -11.425 -9.210 12.777 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -10.478 -9.979 12.764 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -12.572 -9.537 12.524 1.00 0.00 O ATOM 0 H GLU A 125 -8.796 -6.114 11.467 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.280 -5.558 13.850 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.101 -7.924 12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.318 -8.097 14.212 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -11.700 -7.472 14.032 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -11.515 -7.097 12.331 1.00 0.00 H new ATOM 1914 N LYS A 126 -7.056 -5.645 14.106 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.924 -5.424 15.044 1.00 0.00 C ATOM 1916 C LYS A 126 -5.702 -3.918 15.175 1.00 0.00 C ATOM 1917 O LYS A 126 -5.239 -3.432 16.188 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.657 -6.086 14.493 1.00 0.00 C ATOM 1919 CG LYS A 126 -4.894 -7.589 14.313 1.00 0.00 C ATOM 1920 CD LYS A 126 -4.589 -8.322 15.622 1.00 0.00 C ATOM 1921 CE LYS A 126 -5.496 -9.550 15.744 1.00 0.00 C ATOM 1922 NZ LYS A 126 -5.186 -10.274 17.009 1.00 0.00 N ATOM 0 H LYS A 126 -6.808 -5.615 13.117 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.151 -5.859 16.017 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.385 -5.634 13.539 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.823 -5.919 15.174 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.927 -7.771 14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.260 -7.973 13.514 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.543 -8.626 15.645 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.746 -7.655 16.470 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -6.542 -9.245 15.734 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.349 -10.210 14.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -5.802 -11.108 17.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.191 -10.578 17.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -5.348 -9.642 17.819 1.00 0.00 H new ATOM 1936 N LEU A 127 -6.045 -3.172 14.156 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.871 -1.695 14.223 1.00 0.00 C ATOM 1938 C LEU A 127 -7.104 -1.081 14.888 1.00 0.00 C ATOM 1939 O LEU A 127 -7.105 0.072 15.270 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.708 -1.114 12.810 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.548 -0.116 12.802 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.220 -0.873 12.860 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -4.601 0.717 11.519 1.00 0.00 C ATOM 0 H LEU A 127 -6.437 -3.524 13.283 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.978 -1.463 14.803 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.518 -1.915 12.095 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.629 -0.621 12.499 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.630 0.541 13.668 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.395 -0.161 12.854 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.180 -1.468 13.773 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.138 -1.531 11.995 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.775 1.428 11.513 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.520 0.059 10.654 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.546 1.258 11.475 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.158 -1.843 15.031 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.388 -1.300 15.674 1.00 0.00 C ATOM 1957 C GLY A 128 -9.721 0.064 15.070 1.00 0.00 C ATOM 1958 O GLY A 128 -9.560 1.090 15.701 1.00 0.00 O ATOM 0 H GLY A 128 -8.218 -2.816 14.730 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.221 -1.987 15.528 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.238 -1.206 16.749 1.00 0.00 H new ATOM 1962 N MET A 129 -10.183 0.086 13.851 1.00 0.00 N ATOM 1963 CA MET A 129 -10.526 1.385 13.207 1.00 0.00 C ATOM 1964 C MET A 129 -11.990 1.727 13.492 1.00 0.00 C ATOM 1965 O MET A 129 -12.833 0.881 13.246 1.00 0.00 O ATOM 1966 CB MET A 129 -10.312 1.277 11.696 1.00 0.00 C ATOM 1967 CG MET A 129 -9.212 2.248 11.264 1.00 0.00 C ATOM 1968 SD MET A 129 -9.783 3.950 11.498 1.00 0.00 S ATOM 1969 CE MET A 129 -8.157 4.743 11.475 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.241 2.828 13.950 1.00 0.00 O ATOM 0 H MET A 129 -10.338 -0.740 13.272 1.00 0.00 H new ATOM 0 HA MET A 129 -9.886 2.170 13.610 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.036 0.257 11.429 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.239 1.504 11.170 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.308 2.073 11.847 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.954 2.080 10.218 1.00 0.00 H new ATOM 0 HE1 MET A 129 -8.275 5.819 11.606 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.546 4.344 12.285 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.669 4.545 10.521 1.00 0.00 H new TER 1980 MET A 129