USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 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 78 MET CE :methyl 157:sc= -0.732 (180deg=-2.46!) USER MOD Set 1.2: A 88 THR OG1 : rot 44:sc= 0.957 USER MOD Set 2.1: A 7 ASN : amide:sc= 0.751 K(o=3.5,f=2.3) USER MOD Set 2.2: A 62 SER OG : rot -45:sc= 2.77 USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.799 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 1.01 K(o=1,f=-0.012) USER MOD Single : A 18 SER OG : rot -128:sc= 1.26 USER MOD Single : A 19 SER OG : rot 180:sc= 0.343 USER MOD Single : A 48 TYR OH : rot 136:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ -136:sc= 0.969 (180deg=-0.379) USER MOD Single : A 51 LYS NZ :NH3+ -123:sc= 0.46 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc=-0.00638 (180deg=-0.138) USER MOD Single : A 54 CYS SG : rot -153:sc= 0.63 USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= -0.0412 (180deg=-0.066) USER MOD Single : A 58 ASN : amide:sc= 0.502 K(o=0.5,f=-9.7!) USER MOD Single : A 59 THR OG1 : rot 88:sc= 0.916 USER MOD Single : A 64 ASN : amide:sc= 1.22 K(o=1.2,f=-1.2) USER MOD Single : A 67 SER OG : rot 70:sc= 1.16 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.265 USER MOD Single : A 76 THR OG1 : rot 13:sc= 1.94 USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0145) USER MOD Single : A 84 LYS NZ :NH3+ -138:sc= 0.597 (180deg=-0.327) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot -118:sc= -0.131 USER MOD Single : A 95 LYS NZ :NH3+ 154:sc= 1.11 (180deg=0.769) USER MOD Single : A 97 THR OG1 : rot -150:sc= 0.0208 USER MOD Single : A 100 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.15) USER MOD Single : A 101 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 151:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N ALA A 3 -3.286 -0.809 -9.563 1.00 0.00 N ATOM 36 CA ALA A 3 -2.602 -0.176 -8.450 1.00 0.00 C ATOM 37 C ALA A 3 -1.264 0.385 -8.944 1.00 0.00 C ATOM 38 O ALA A 3 -0.642 -0.177 -9.854 1.00 0.00 O ATOM 39 CB ALA A 3 -2.365 -1.193 -7.334 1.00 0.00 C ATOM 0 HA ALA A 3 -3.215 0.634 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.851 -0.709 -6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.322 -1.585 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.752 -2.012 -7.712 1.00 0.00 H new ATOM 45 N GLY A 4 -0.830 1.488 -8.334 1.00 0.00 N ATOM 46 CA GLY A 4 0.428 2.165 -8.604 1.00 0.00 C ATOM 47 C GLY A 4 1.658 1.343 -8.226 1.00 0.00 C ATOM 48 O GLY A 4 1.582 0.393 -7.450 1.00 0.00 O ATOM 0 H GLY A 4 -1.374 1.951 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.478 2.411 -9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.449 3.107 -8.056 1.00 0.00 H new ATOM 52 N ALA A 5 2.809 1.744 -8.762 1.00 0.00 N ATOM 53 CA ALA A 5 4.116 1.214 -8.424 1.00 0.00 C ATOM 54 C ALA A 5 4.922 2.447 -8.042 1.00 0.00 C ATOM 55 O ALA A 5 4.977 3.384 -8.838 1.00 0.00 O ATOM 56 CB ALA A 5 4.734 0.481 -9.614 1.00 0.00 C ATOM 0 H ALA A 5 2.852 2.476 -9.471 1.00 0.00 H new ATOM 0 HA ALA A 5 4.081 0.479 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.713 0.093 -9.334 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.087 -0.346 -9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.843 1.172 -10.450 1.00 0.00 H new ATOM 62 N VAL A 6 5.467 2.490 -6.827 1.00 0.00 N ATOM 63 CA VAL A 6 6.195 3.655 -6.340 1.00 0.00 C ATOM 64 C VAL A 6 7.576 3.274 -5.823 1.00 0.00 C ATOM 65 O VAL A 6 7.877 2.107 -5.573 1.00 0.00 O ATOM 66 CB VAL A 6 5.384 4.398 -5.257 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.291 5.255 -5.893 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.745 3.468 -4.223 1.00 0.00 C ATOM 0 H VAL A 6 5.416 1.722 -6.158 1.00 0.00 H new ATOM 0 HA VAL A 6 6.336 4.332 -7.183 1.00 0.00 H new ATOM 0 HB VAL A 6 6.105 5.025 -4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.732 5.770 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.745 5.989 -6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.615 4.618 -6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.192 4.060 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.064 2.780 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.524 2.901 -3.713 1.00 0.00 H new ATOM 78 N ASN A 7 8.409 4.305 -5.681 1.00 0.00 N ATOM 79 CA ASN A 7 9.768 4.253 -5.171 1.00 0.00 C ATOM 80 C ASN A 7 10.042 5.580 -4.483 1.00 0.00 C ATOM 81 O ASN A 7 9.243 6.514 -4.586 1.00 0.00 O ATOM 82 CB ASN A 7 10.773 4.009 -6.301 1.00 0.00 C ATOM 83 CG ASN A 7 10.814 2.538 -6.689 1.00 0.00 C ATOM 84 OD1 ASN A 7 10.442 2.158 -7.794 1.00 0.00 O ATOM 85 ND2 ASN A 7 11.273 1.696 -5.770 1.00 0.00 N ATOM 0 H ASN A 7 8.131 5.253 -5.936 1.00 0.00 H new ATOM 0 HA ASN A 7 9.877 3.426 -4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.502 4.610 -7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.765 4.333 -5.986 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.325 0.698 -5.973 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.574 2.048 -4.861 1.00 0.00 H new ATOM 92 N ASP A 8 11.165 5.673 -3.775 1.00 0.00 N ATOM 93 CA ASP A 8 11.528 6.856 -3.009 1.00 0.00 C ATOM 94 C ASP A 8 12.055 7.960 -3.900 1.00 0.00 C ATOM 95 O ASP A 8 13.239 8.243 -4.047 1.00 0.00 O ATOM 96 CB ASP A 8 12.455 6.545 -1.875 1.00 0.00 C ATOM 97 CG ASP A 8 13.799 5.923 -2.241 1.00 0.00 C ATOM 98 OD1 ASP A 8 13.800 4.999 -3.083 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.800 6.348 -1.625 1.00 0.00 O ATOM 0 H ASP A 8 11.852 4.922 -3.718 1.00 0.00 H new ATOM 0 HA ASP A 8 10.611 7.228 -2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.645 7.468 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.942 5.869 -1.191 1.00 0.00 H new ATOM 104 N ASP A 9 11.022 8.568 -4.433 1.00 0.00 N ATOM 105 CA ASP A 9 10.909 9.669 -5.363 1.00 0.00 C ATOM 106 C ASP A 9 9.437 9.798 -5.741 1.00 0.00 C ATOM 107 O ASP A 9 8.728 10.636 -5.191 1.00 0.00 O ATOM 108 CB ASP A 9 11.778 9.406 -6.592 1.00 0.00 C ATOM 109 CG ASP A 9 11.564 10.484 -7.647 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.896 11.649 -7.342 1.00 0.00 O ATOM 111 OD2 ASP A 9 11.049 10.121 -8.727 1.00 0.00 O ATOM 0 H ASP A 9 10.088 8.246 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 9 11.258 10.599 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.828 9.379 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.538 8.429 -7.010 1.00 0.00 H new ATOM 116 N THR A 10 8.962 8.907 -6.614 1.00 0.00 N ATOM 117 CA THR A 10 7.592 8.879 -7.104 1.00 0.00 C ATOM 118 C THR A 10 6.603 8.897 -5.937 1.00 0.00 C ATOM 119 O THR A 10 5.588 9.588 -6.000 1.00 0.00 O ATOM 120 CB THR A 10 7.416 7.641 -7.994 1.00 0.00 C ATOM 121 OG1 THR A 10 7.862 6.482 -7.319 1.00 0.00 O ATOM 122 CG2 THR A 10 8.245 7.774 -9.276 1.00 0.00 C ATOM 0 H THR A 10 9.541 8.165 -7.008 1.00 0.00 H new ATOM 0 HA THR A 10 7.385 9.768 -7.700 1.00 0.00 H new ATOM 0 HB THR A 10 6.356 7.561 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.893 5.730 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.106 6.886 -9.893 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.920 8.655 -9.830 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.299 7.876 -9.019 1.00 0.00 H new ATOM 130 N PHE A 11 6.927 8.170 -4.861 1.00 0.00 N ATOM 131 CA PHE A 11 6.170 8.115 -3.613 1.00 0.00 C ATOM 132 C PHE A 11 5.717 9.507 -3.178 1.00 0.00 C ATOM 133 O PHE A 11 4.582 9.714 -2.765 1.00 0.00 O ATOM 134 CB PHE A 11 7.075 7.528 -2.526 1.00 0.00 C ATOM 135 CG PHE A 11 6.404 7.115 -1.230 1.00 0.00 C ATOM 136 CD1 PHE A 11 6.082 8.080 -0.256 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.261 5.748 -0.925 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.598 7.680 1.001 1.00 0.00 C ATOM 139 CE2 PHE A 11 5.838 5.348 0.353 1.00 0.00 C ATOM 140 CZ PHE A 11 5.502 6.314 1.315 1.00 0.00 C ATOM 0 H PHE A 11 7.759 7.581 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 11 5.284 7.498 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.582 6.656 -2.940 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.845 8.263 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.207 9.130 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.478 5.004 -1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.300 8.423 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.771 4.298 0.596 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.170 6.007 2.296 1.00 0.00 H new ATOM 150 N LYS A 12 6.633 10.467 -3.243 1.00 0.00 N ATOM 151 CA LYS A 12 6.358 11.843 -2.850 1.00 0.00 C ATOM 152 C LYS A 12 5.134 12.371 -3.604 1.00 0.00 C ATOM 153 O LYS A 12 4.181 12.864 -3.007 1.00 0.00 O ATOM 154 CB LYS A 12 7.581 12.725 -3.132 1.00 0.00 C ATOM 155 CG LYS A 12 8.822 12.258 -2.357 1.00 0.00 C ATOM 156 CD LYS A 12 10.057 13.037 -2.823 1.00 0.00 C ATOM 157 CE LYS A 12 11.310 12.531 -2.098 1.00 0.00 C ATOM 158 NZ LYS A 12 12.524 13.210 -2.585 1.00 0.00 N ATOM 0 H LYS A 12 7.587 10.313 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 12 6.147 11.871 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.796 12.714 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.353 13.756 -2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.670 12.407 -1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.976 11.190 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.181 12.924 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.920 14.100 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.204 12.697 -1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.409 11.456 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.354 12.846 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.637 13.031 -3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.439 14.233 -2.421 1.00 0.00 H new ATOM 172 N ASN A 13 5.152 12.242 -4.928 1.00 0.00 N ATOM 173 CA ASN A 13 4.090 12.741 -5.779 1.00 0.00 C ATOM 174 C ASN A 13 2.817 11.915 -5.609 1.00 0.00 C ATOM 175 O ASN A 13 1.738 12.448 -5.374 1.00 0.00 O ATOM 176 CB ASN A 13 4.547 12.698 -7.242 1.00 0.00 C ATOM 177 CG ASN A 13 5.880 13.397 -7.505 1.00 0.00 C ATOM 178 OD1 ASN A 13 6.723 12.864 -8.218 1.00 0.00 O ATOM 179 ND2 ASN A 13 6.107 14.580 -6.939 1.00 0.00 N ATOM 0 H ASN A 13 5.909 11.786 -5.437 1.00 0.00 H new ATOM 0 HA ASN A 13 3.868 13.769 -5.491 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.628 11.657 -7.555 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.780 13.159 -7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.994 15.058 -7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.394 15.008 -6.349 1.00 0.00 H new ATOM 186 N VAL A 14 2.961 10.601 -5.751 1.00 0.00 N ATOM 187 CA VAL A 14 1.868 9.648 -5.775 1.00 0.00 C ATOM 188 C VAL A 14 1.169 9.511 -4.417 1.00 0.00 C ATOM 189 O VAL A 14 -0.057 9.485 -4.357 1.00 0.00 O ATOM 190 CB VAL A 14 2.450 8.312 -6.274 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.437 7.171 -6.185 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.908 8.436 -7.736 1.00 0.00 C ATOM 0 H VAL A 14 3.875 10.160 -5.856 1.00 0.00 H new ATOM 0 HA VAL A 14 1.083 9.996 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 14 3.296 8.083 -5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.893 6.250 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.128 7.039 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.566 7.409 -6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.316 7.483 -8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.058 8.707 -8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.675 9.206 -7.813 1.00 0.00 H new ATOM 202 N VAL A 15 1.938 9.383 -3.335 1.00 0.00 N ATOM 203 CA VAL A 15 1.422 9.138 -1.996 1.00 0.00 C ATOM 204 C VAL A 15 1.218 10.446 -1.236 1.00 0.00 C ATOM 205 O VAL A 15 0.100 10.748 -0.821 1.00 0.00 O ATOM 206 CB VAL A 15 2.380 8.213 -1.217 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.760 7.792 0.120 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.744 6.965 -2.030 1.00 0.00 C ATOM 0 H VAL A 15 2.955 9.449 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 15 0.453 8.648 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 15 3.292 8.779 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.452 7.140 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.559 8.678 0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.827 7.258 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.420 6.337 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.838 6.405 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.233 7.264 -2.957 1.00 0.00 H new ATOM 218 N LEU A 16 2.296 11.207 -1.016 1.00 0.00 N ATOM 219 CA LEU A 16 2.208 12.389 -0.168 1.00 0.00 C ATOM 220 C LEU A 16 1.352 13.467 -0.831 1.00 0.00 C ATOM 221 O LEU A 16 0.336 13.872 -0.267 1.00 0.00 O ATOM 222 CB LEU A 16 3.598 12.909 0.223 1.00 0.00 C ATOM 223 CG LEU A 16 4.479 11.845 0.902 1.00 0.00 C ATOM 224 CD1 LEU A 16 5.822 12.478 1.278 1.00 0.00 C ATOM 225 CD2 LEU A 16 3.830 11.265 2.166 1.00 0.00 C ATOM 0 H LEU A 16 3.220 11.026 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 16 1.713 12.104 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.105 13.275 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.484 13.759 0.896 1.00 0.00 H new ATOM 0 HG LEU A 16 4.612 11.027 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.454 11.732 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.316 12.845 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.654 13.308 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.492 10.520 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.656 12.065 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.880 10.798 1.906 1.00 0.00 H new ATOM 237 N GLU A 17 1.705 13.897 -2.044 1.00 0.00 N ATOM 238 CA GLU A 17 0.965 14.942 -2.747 1.00 0.00 C ATOM 239 C GLU A 17 -0.309 14.381 -3.405 1.00 0.00 C ATOM 240 O GLU A 17 -0.614 14.720 -4.547 1.00 0.00 O ATOM 241 CB GLU A 17 1.880 15.601 -3.791 1.00 0.00 C ATOM 242 CG GLU A 17 3.171 16.171 -3.185 1.00 0.00 C ATOM 243 CD GLU A 17 4.051 16.804 -4.259 1.00 0.00 C ATOM 244 OE1 GLU A 17 4.721 16.031 -4.980 1.00 0.00 O ATOM 245 OE2 GLU A 17 4.034 18.051 -4.347 1.00 0.00 O ATOM 0 H GLU A 17 2.505 13.533 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 17 0.648 15.694 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.137 14.867 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.335 16.402 -4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.923 16.916 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.722 15.376 -2.682 1.00 0.00 H new ATOM 252 N SER A 18 -1.057 13.536 -2.689 1.00 0.00 N ATOM 253 CA SER A 18 -2.314 12.977 -3.169 1.00 0.00 C ATOM 254 C SER A 18 -3.468 13.898 -2.761 1.00 0.00 C ATOM 255 O SER A 18 -3.270 14.973 -2.196 1.00 0.00 O ATOM 256 CB SER A 18 -2.512 11.559 -2.605 1.00 0.00 C ATOM 257 OG SER A 18 -3.656 10.953 -3.194 1.00 0.00 O ATOM 0 H SER A 18 -0.801 13.221 -1.753 1.00 0.00 H new ATOM 0 HA SER A 18 -2.292 12.905 -4.256 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.628 10.954 -2.804 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.631 11.603 -1.522 1.00 0.00 H new ATOM 0 HG SER A 18 -4.247 10.615 -2.489 1.00 0.00 H new ATOM 263 N SER A 19 -4.686 13.441 -3.044 1.00 0.00 N ATOM 264 CA SER A 19 -5.949 14.071 -2.699 1.00 0.00 C ATOM 265 C SER A 19 -6.707 13.070 -1.828 1.00 0.00 C ATOM 266 O SER A 19 -6.785 13.215 -0.610 1.00 0.00 O ATOM 267 CB SER A 19 -6.711 14.412 -3.985 1.00 0.00 C ATOM 268 OG SER A 19 -6.692 13.308 -4.875 1.00 0.00 O ATOM 0 H SER A 19 -4.821 12.567 -3.552 1.00 0.00 H new ATOM 0 HA SER A 19 -5.816 15.005 -2.153 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.741 14.678 -3.746 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.260 15.281 -4.463 1.00 0.00 H new ATOM 0 HG SER A 19 -7.183 13.537 -5.691 1.00 0.00 H new ATOM 274 N VAL A 20 -7.213 12.018 -2.472 1.00 0.00 N ATOM 275 CA VAL A 20 -7.910 10.925 -1.811 1.00 0.00 C ATOM 276 C VAL A 20 -6.856 10.000 -1.183 1.00 0.00 C ATOM 277 O VAL A 20 -5.687 10.053 -1.582 1.00 0.00 O ATOM 278 CB VAL A 20 -8.803 10.182 -2.824 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.844 11.141 -3.415 1.00 0.00 C ATOM 280 CG2 VAL A 20 -8.015 9.510 -3.958 1.00 0.00 C ATOM 0 H VAL A 20 -7.147 11.904 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.566 11.298 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.296 9.384 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.469 10.605 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.468 11.539 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.336 11.962 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.707 9.006 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.455 10.265 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.323 8.781 -3.537 1.00 0.00 H new ATOM 290 N PRO A 21 -7.221 9.183 -0.180 1.00 0.00 N ATOM 291 CA PRO A 21 -6.271 8.292 0.457 1.00 0.00 C ATOM 292 C PRO A 21 -5.600 7.341 -0.529 1.00 0.00 C ATOM 293 O PRO A 21 -6.125 7.058 -1.605 1.00 0.00 O ATOM 294 CB PRO A 21 -7.041 7.506 1.512 1.00 0.00 C ATOM 295 CG PRO A 21 -8.218 8.414 1.833 1.00 0.00 C ATOM 296 CD PRO A 21 -8.493 9.158 0.524 1.00 0.00 C ATOM 0 HA PRO A 21 -5.465 8.879 0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.371 6.539 1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.431 7.311 2.394 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.087 7.840 2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.978 9.106 2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.257 8.650 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.856 10.168 0.715 1.00 0.00 H new ATOM 304 N VAL A 22 -4.449 6.819 -0.114 1.00 0.00 N ATOM 305 CA VAL A 22 -3.588 5.956 -0.901 1.00 0.00 C ATOM 306 C VAL A 22 -3.152 4.755 -0.061 1.00 0.00 C ATOM 307 O VAL A 22 -2.487 4.921 0.964 1.00 0.00 O ATOM 308 CB VAL A 22 -2.370 6.757 -1.397 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.527 5.925 -2.375 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.819 8.051 -2.088 1.00 0.00 C ATOM 0 H VAL A 22 -4.080 6.996 0.820 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.132 5.584 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.762 7.005 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.673 6.513 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.173 5.024 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.136 5.647 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.944 8.603 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.452 7.807 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.381 8.664 -1.383 1.00 0.00 H new ATOM 320 N LEU A 23 -3.529 3.552 -0.499 1.00 0.00 N ATOM 321 CA LEU A 23 -3.133 2.289 0.104 1.00 0.00 C ATOM 322 C LEU A 23 -1.776 1.926 -0.499 1.00 0.00 C ATOM 323 O LEU A 23 -1.720 1.518 -1.655 1.00 0.00 O ATOM 324 CB LEU A 23 -4.200 1.226 -0.201 1.00 0.00 C ATOM 325 CG LEU A 23 -4.076 -0.068 0.621 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.301 -0.938 0.322 1.00 0.00 C ATOM 327 CD2 LEU A 23 -2.815 -0.879 0.292 1.00 0.00 C ATOM 0 H LEU A 23 -4.137 3.432 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.048 2.355 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.185 1.659 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.148 0.973 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.011 0.216 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.238 -1.864 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.207 -0.400 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.331 -1.170 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.790 -1.778 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.827 -1.160 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.931 -0.275 0.496 1.00 0.00 H new ATOM 339 N VAL A 24 -0.687 2.100 0.247 1.00 0.00 N ATOM 340 CA VAL A 24 0.660 1.801 -0.217 1.00 0.00 C ATOM 341 C VAL A 24 1.078 0.440 0.329 1.00 0.00 C ATOM 342 O VAL A 24 1.194 0.284 1.545 1.00 0.00 O ATOM 343 CB VAL A 24 1.628 2.901 0.243 1.00 0.00 C ATOM 344 CG1 VAL A 24 3.065 2.591 -0.199 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.227 4.260 -0.341 1.00 0.00 C ATOM 0 H VAL A 24 -0.719 2.457 1.202 1.00 0.00 H new ATOM 0 HA VAL A 24 0.683 1.769 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 24 1.578 2.936 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.729 3.386 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.383 1.643 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.105 2.524 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.927 5.023 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.247 4.208 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.221 4.517 -0.008 1.00 0.00 H new ATOM 355 N ASP A 25 1.320 -0.533 -0.555 1.00 0.00 N ATOM 356 CA ASP A 25 1.767 -1.864 -0.152 1.00 0.00 C ATOM 357 C ASP A 25 3.288 -1.953 -0.252 1.00 0.00 C ATOM 358 O ASP A 25 3.831 -1.968 -1.354 1.00 0.00 O ATOM 359 CB ASP A 25 1.113 -2.953 -1.008 1.00 0.00 C ATOM 360 CG ASP A 25 1.690 -4.335 -0.692 1.00 0.00 C ATOM 361 OD1 ASP A 25 1.968 -4.587 0.502 1.00 0.00 O ATOM 362 OD2 ASP A 25 1.843 -5.117 -1.655 1.00 0.00 O ATOM 0 H ASP A 25 1.212 -0.419 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 25 1.465 -2.027 0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.037 -2.958 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.263 -2.727 -2.064 1.00 0.00 H new ATOM 367 N PHE A 26 4.004 -2.024 0.866 1.00 0.00 N ATOM 368 CA PHE A 26 5.451 -2.170 0.816 1.00 0.00 C ATOM 369 C PHE A 26 5.718 -3.640 0.519 1.00 0.00 C ATOM 370 O PHE A 26 5.423 -4.493 1.357 1.00 0.00 O ATOM 371 CB PHE A 26 6.081 -1.724 2.134 1.00 0.00 C ATOM 372 CG PHE A 26 6.141 -0.216 2.300 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.972 0.528 2.547 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.383 0.442 2.242 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.056 1.911 2.781 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.468 1.821 2.495 1.00 0.00 C ATOM 377 CZ PHE A 26 6.308 2.548 2.813 1.00 0.00 C ATOM 0 H PHE A 26 3.610 -1.983 1.806 1.00 0.00 H new ATOM 0 HA PHE A 26 5.897 -1.542 0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.513 -2.150 2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.091 -2.129 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.011 0.036 2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.276 -0.116 2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.155 2.486 2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.423 2.322 2.445 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.379 3.592 3.081 1.00 0.00 H new ATOM 387 N TRP A 27 6.227 -3.923 -0.685 1.00 0.00 N ATOM 388 CA TRP A 27 6.438 -5.273 -1.184 1.00 0.00 C ATOM 389 C TRP A 27 7.873 -5.466 -1.654 1.00 0.00 C ATOM 390 O TRP A 27 8.716 -4.580 -1.530 1.00 0.00 O ATOM 391 CB TRP A 27 5.487 -5.525 -2.367 1.00 0.00 C ATOM 392 CG TRP A 27 5.891 -4.877 -3.656 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.886 -3.552 -3.899 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.497 -5.491 -4.830 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.510 -3.286 -5.099 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.935 -4.452 -5.702 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.768 -6.819 -5.229 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.648 -4.719 -6.880 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.425 -7.093 -6.440 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.870 -6.048 -7.264 1.00 0.00 C ATOM 0 H TRP A 27 6.507 -3.200 -1.348 1.00 0.00 H new ATOM 0 HA TRP A 27 6.240 -5.976 -0.374 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.409 -6.600 -2.528 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.493 -5.170 -2.096 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.455 -2.806 -3.248 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.640 -2.352 -5.489 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.465 -7.637 -4.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.023 -3.907 -7.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.589 -8.118 -6.740 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.381 -6.267 -8.190 1.00 0.00 H new ATOM 411 N ALA A 28 8.141 -6.633 -2.238 1.00 0.00 N ATOM 412 CA ALA A 28 9.394 -6.967 -2.899 1.00 0.00 C ATOM 413 C ALA A 28 9.199 -8.288 -3.641 1.00 0.00 C ATOM 414 O ALA A 28 8.426 -9.126 -3.176 1.00 0.00 O ATOM 415 CB ALA A 28 10.542 -7.126 -1.903 1.00 0.00 C ATOM 0 H ALA A 28 7.465 -7.397 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 28 9.654 -6.156 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.457 -7.375 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.683 -6.192 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.305 -7.924 -1.199 1.00 0.00 H new ATOM 421 N PRO A 29 9.888 -8.520 -4.765 1.00 0.00 N ATOM 422 CA PRO A 29 9.763 -9.756 -5.523 1.00 0.00 C ATOM 423 C PRO A 29 10.023 -11.019 -4.697 1.00 0.00 C ATOM 424 O PRO A 29 9.347 -12.026 -4.894 1.00 0.00 O ATOM 425 CB PRO A 29 10.741 -9.623 -6.692 1.00 0.00 C ATOM 426 CG PRO A 29 11.672 -8.475 -6.295 1.00 0.00 C ATOM 427 CD PRO A 29 10.749 -7.586 -5.469 1.00 0.00 C ATOM 0 HA PRO A 29 8.735 -9.884 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.297 -10.547 -6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.218 -9.404 -7.623 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.526 -8.825 -5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.069 -7.953 -7.165 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.313 -6.964 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.172 -6.913 -6.103 1.00 0.00 H new ATOM 435 N TRP A 30 10.994 -10.990 -3.781 1.00 0.00 N ATOM 436 CA TRP A 30 11.298 -12.145 -2.943 1.00 0.00 C ATOM 437 C TRP A 30 10.271 -12.329 -1.819 1.00 0.00 C ATOM 438 O TRP A 30 10.259 -13.375 -1.173 1.00 0.00 O ATOM 439 CB TRP A 30 12.708 -11.992 -2.358 1.00 0.00 C ATOM 440 CG TRP A 30 12.990 -10.705 -1.643 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.732 -9.694 -2.142 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.552 -10.259 -0.320 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.772 -8.652 -1.244 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.042 -8.936 -0.108 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.800 -10.835 0.727 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.767 -8.210 1.061 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.489 -10.105 1.890 1.00 0.00 C ATOM 448 CH2 TRP A 30 11.958 -8.790 2.052 1.00 0.00 C ATOM 0 H TRP A 30 11.582 -10.176 -3.603 1.00 0.00 H new ATOM 0 HA TRP A 30 11.251 -13.037 -3.567 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.883 -12.815 -1.665 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.429 -12.099 -3.168 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.222 -9.702 -3.104 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.278 -7.780 -1.399 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.457 -11.855 0.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.172 -7.218 1.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.886 -10.558 2.663 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.697 -8.227 2.936 1.00 0.00 H new ATOM 459 N CYS A 31 9.405 -11.345 -1.562 1.00 0.00 N ATOM 460 CA CYS A 31 8.462 -11.436 -0.453 1.00 0.00 C ATOM 461 C CYS A 31 7.280 -12.345 -0.814 1.00 0.00 C ATOM 462 O CYS A 31 6.343 -11.933 -1.495 1.00 0.00 O ATOM 463 CB CYS A 31 8.014 -10.036 -0.046 1.00 0.00 C ATOM 464 SG CYS A 31 6.643 -10.029 1.120 1.00 0.00 S ATOM 0 H CYS A 31 9.340 -10.484 -2.104 1.00 0.00 H new ATOM 0 HA CYS A 31 8.954 -11.893 0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.859 -9.507 0.396 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.723 -9.483 -0.939 1.00 0.00 H new ATOM 469 N GLY A 32 7.330 -13.591 -0.331 1.00 0.00 N ATOM 470 CA GLY A 32 6.324 -14.627 -0.545 1.00 0.00 C ATOM 471 C GLY A 32 4.874 -14.138 -0.442 1.00 0.00 C ATOM 472 O GLY A 32 4.152 -14.194 -1.440 1.00 0.00 O ATOM 0 H GLY A 32 8.108 -13.915 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.477 -15.066 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.479 -15.422 0.185 1.00 0.00 H new ATOM 476 N PRO A 33 4.409 -13.680 0.735 1.00 0.00 N ATOM 477 CA PRO A 33 3.040 -13.215 0.876 1.00 0.00 C ATOM 478 C PRO A 33 2.739 -12.102 -0.121 1.00 0.00 C ATOM 479 O PRO A 33 1.707 -12.122 -0.785 1.00 0.00 O ATOM 480 CB PRO A 33 2.883 -12.722 2.313 1.00 0.00 C ATOM 481 CG PRO A 33 4.024 -13.395 3.070 1.00 0.00 C ATOM 482 CD PRO A 33 5.114 -13.590 2.006 1.00 0.00 C ATOM 0 HA PRO A 33 2.335 -14.020 0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.954 -11.636 2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.913 -13.001 2.725 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.377 -12.774 3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.711 -14.347 3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.816 -12.756 2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.692 -14.494 2.198 1.00 0.00 H new ATOM 490 N CYS A 34 3.666 -11.146 -0.230 1.00 0.00 N ATOM 491 CA CYS A 34 3.525 -9.995 -1.110 1.00 0.00 C ATOM 492 C CYS A 34 3.203 -10.468 -2.524 1.00 0.00 C ATOM 493 O CYS A 34 2.253 -9.996 -3.140 1.00 0.00 O ATOM 494 CB CYS A 34 4.779 -9.124 -1.156 1.00 0.00 C ATOM 495 SG CYS A 34 5.461 -8.485 0.390 1.00 0.00 S ATOM 0 H CYS A 34 4.540 -11.154 0.296 1.00 0.00 H new ATOM 0 HA CYS A 34 2.715 -9.387 -0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.562 -9.701 -1.647 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.563 -8.270 -1.798 1.00 0.00 H new ATOM 500 N ARG A 35 3.996 -11.412 -3.037 1.00 0.00 N ATOM 501 CA ARG A 35 3.816 -11.963 -4.368 1.00 0.00 C ATOM 502 C ARG A 35 2.413 -12.539 -4.547 1.00 0.00 C ATOM 503 O ARG A 35 1.763 -12.242 -5.545 1.00 0.00 O ATOM 504 CB ARG A 35 4.871 -13.049 -4.613 1.00 0.00 C ATOM 505 CG ARG A 35 6.261 -12.463 -4.886 1.00 0.00 C ATOM 506 CD ARG A 35 6.409 -12.007 -6.346 1.00 0.00 C ATOM 507 NE ARG A 35 6.352 -13.135 -7.285 1.00 0.00 N ATOM 508 CZ ARG A 35 7.357 -13.992 -7.522 1.00 0.00 C ATOM 509 NH1 ARG A 35 8.518 -13.887 -6.864 1.00 0.00 N ATOM 510 NH2 ARG A 35 7.190 -14.960 -8.429 1.00 0.00 N ATOM 0 H ARG A 35 4.785 -11.814 -2.531 1.00 0.00 H new ATOM 0 HA ARG A 35 3.938 -11.161 -5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.921 -13.706 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.566 -13.663 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.436 -11.617 -4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.022 -13.210 -4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.618 -11.296 -6.585 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.357 -11.482 -6.467 1.00 0.00 H new ATOM 0 HE ARG A 35 5.481 -13.278 -7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.647 -13.149 -6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.273 -14.545 -7.054 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.306 -15.041 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.946 -15.618 -8.618 1.00 0.00 H new ATOM 524 N ILE A 36 1.937 -13.365 -3.610 1.00 0.00 N ATOM 525 CA ILE A 36 0.623 -13.980 -3.790 1.00 0.00 C ATOM 526 C ILE A 36 -0.514 -12.968 -3.578 1.00 0.00 C ATOM 527 O ILE A 36 -1.555 -13.125 -4.212 1.00 0.00 O ATOM 528 CB ILE A 36 0.485 -15.299 -2.994 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.673 -15.202 -1.473 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.534 -16.288 -3.529 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.603 -14.795 -0.731 1.00 0.00 C ATOM 0 H ILE A 36 2.423 -13.616 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 36 0.529 -14.284 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.548 -15.614 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.014 -16.165 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.458 -14.478 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.458 -17.229 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.357 -16.468 -4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.531 -15.869 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.401 -14.745 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.933 -13.818 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.384 -15.532 -0.919 1.00 0.00 H new ATOM 543 N ILE A 37 -0.356 -11.926 -2.744 1.00 0.00 N ATOM 544 CA ILE A 37 -1.420 -10.923 -2.606 1.00 0.00 C ATOM 545 C ILE A 37 -1.355 -9.897 -3.746 1.00 0.00 C ATOM 546 O ILE A 37 -2.375 -9.309 -4.078 1.00 0.00 O ATOM 547 CB ILE A 37 -1.425 -10.209 -1.236 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.177 -9.339 -1.024 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.589 -11.236 -0.106 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.156 -8.621 0.328 1.00 0.00 C ATOM 0 H ILE A 37 0.472 -11.760 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.359 -11.473 -2.668 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.278 -9.530 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.711 -9.965 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.121 -8.598 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.591 -10.722 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.530 -11.770 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.762 -11.945 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.753 -8.025 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.026 -7.969 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.181 -9.357 1.131 1.00 0.00 H new ATOM 562 N ALA A 38 -0.196 -9.684 -4.376 1.00 0.00 N ATOM 563 CA ALA A 38 0.025 -8.682 -5.419 1.00 0.00 C ATOM 564 C ALA A 38 -1.140 -8.518 -6.415 1.00 0.00 C ATOM 565 O ALA A 38 -1.539 -7.376 -6.653 1.00 0.00 O ATOM 566 CB ALA A 38 1.333 -8.985 -6.165 1.00 0.00 C ATOM 0 H ALA A 38 0.643 -10.225 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 38 0.093 -7.725 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.492 -8.235 -6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.166 -8.963 -5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.271 -9.972 -6.622 1.00 0.00 H new ATOM 572 N PRO A 39 -1.712 -9.586 -7.004 1.00 0.00 N ATOM 573 CA PRO A 39 -2.827 -9.453 -7.933 1.00 0.00 C ATOM 574 C PRO A 39 -4.034 -8.841 -7.217 1.00 0.00 C ATOM 575 O PRO A 39 -4.727 -7.980 -7.754 1.00 0.00 O ATOM 576 CB PRO A 39 -3.146 -10.870 -8.433 1.00 0.00 C ATOM 577 CG PRO A 39 -1.922 -11.695 -8.034 1.00 0.00 C ATOM 578 CD PRO A 39 -1.460 -10.994 -6.761 1.00 0.00 C ATOM 0 HA PRO A 39 -2.580 -8.796 -8.767 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.055 -11.259 -7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.302 -10.886 -9.512 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.176 -12.739 -7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.154 -11.683 -8.807 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.011 -11.350 -5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.403 -11.180 -6.568 1.00 0.00 H new ATOM 586 N VAL A 40 -4.255 -9.293 -5.981 1.00 0.00 N ATOM 587 CA VAL A 40 -5.321 -8.843 -5.111 1.00 0.00 C ATOM 588 C VAL A 40 -5.103 -7.354 -4.830 1.00 0.00 C ATOM 589 O VAL A 40 -6.023 -6.560 -5.006 1.00 0.00 O ATOM 590 CB VAL A 40 -5.362 -9.698 -3.827 1.00 0.00 C ATOM 591 CG1 VAL A 40 -6.667 -9.455 -3.077 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.266 -11.202 -4.130 1.00 0.00 C ATOM 0 H VAL A 40 -3.669 -10.009 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.295 -8.966 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.503 -9.401 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.686 -10.063 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.741 -8.401 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.509 -9.726 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.299 -11.764 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.102 -11.500 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.329 -11.410 -4.646 1.00 0.00 H new ATOM 602 N VAL A 41 -3.885 -6.963 -4.432 1.00 0.00 N ATOM 603 CA VAL A 41 -3.544 -5.560 -4.197 1.00 0.00 C ATOM 604 C VAL A 41 -3.899 -4.755 -5.450 1.00 0.00 C ATOM 605 O VAL A 41 -4.478 -3.675 -5.348 1.00 0.00 O ATOM 606 CB VAL A 41 -2.048 -5.384 -3.855 1.00 0.00 C ATOM 607 CG1 VAL A 41 -1.715 -3.905 -3.578 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.625 -6.218 -2.638 1.00 0.00 C ATOM 0 H VAL A 41 -3.114 -7.610 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.113 -5.199 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.495 -5.735 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.656 -3.809 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.944 -3.309 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.310 -3.550 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.565 -6.059 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.207 -5.914 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.802 -7.274 -2.841 1.00 0.00 H new ATOM 618 N ASP A 42 -3.557 -5.282 -6.631 1.00 0.00 N ATOM 619 CA ASP A 42 -3.834 -4.587 -7.875 1.00 0.00 C ATOM 620 C ASP A 42 -5.336 -4.418 -8.099 1.00 0.00 C ATOM 621 O ASP A 42 -5.830 -3.294 -8.125 1.00 0.00 O ATOM 622 CB ASP A 42 -3.176 -5.298 -9.060 1.00 0.00 C ATOM 623 CG ASP A 42 -3.044 -4.321 -10.221 1.00 0.00 C ATOM 624 OD1 ASP A 42 -2.194 -3.408 -10.113 1.00 0.00 O ATOM 625 OD2 ASP A 42 -3.797 -4.459 -11.206 1.00 0.00 O ATOM 0 H ASP A 42 -3.091 -6.182 -6.743 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.400 -3.590 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.194 -5.675 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.773 -6.159 -9.360 1.00 0.00 H new ATOM 630 N GLU A 43 -6.070 -5.522 -8.251 1.00 0.00 N ATOM 631 CA GLU A 43 -7.500 -5.482 -8.551 1.00 0.00 C ATOM 632 C GLU A 43 -8.288 -4.681 -7.504 1.00 0.00 C ATOM 633 O GLU A 43 -9.269 -4.013 -7.837 1.00 0.00 O ATOM 634 CB GLU A 43 -8.025 -6.912 -8.711 1.00 0.00 C ATOM 635 CG GLU A 43 -8.319 -7.604 -7.375 1.00 0.00 C ATOM 636 CD GLU A 43 -8.367 -9.119 -7.527 1.00 0.00 C ATOM 637 OE1 GLU A 43 -7.335 -9.688 -7.951 1.00 0.00 O ATOM 638 OE2 GLU A 43 -9.431 -9.689 -7.201 1.00 0.00 O ATOM 0 H GLU A 43 -5.690 -6.465 -8.170 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.647 -4.953 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.935 -6.892 -9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.293 -7.501 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.552 -7.335 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.271 -7.247 -6.981 1.00 0.00 H new ATOM 645 N ILE A 44 -7.859 -4.729 -6.238 1.00 0.00 N ATOM 646 CA ILE A 44 -8.459 -3.954 -5.160 1.00 0.00 C ATOM 647 C ILE A 44 -8.551 -2.481 -5.578 1.00 0.00 C ATOM 648 O ILE A 44 -9.537 -1.816 -5.250 1.00 0.00 O ATOM 649 CB ILE A 44 -7.657 -4.206 -3.863 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.266 -5.450 -3.185 1.00 0.00 C ATOM 651 CG2 ILE A 44 -7.667 -3.038 -2.876 1.00 0.00 C ATOM 652 CD1 ILE A 44 -7.513 -5.881 -1.924 1.00 0.00 C ATOM 0 H ILE A 44 -7.079 -5.313 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.483 -4.266 -4.956 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.612 -4.342 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.305 -5.243 -2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.273 -6.276 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.081 -3.301 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.234 -2.157 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.693 -2.822 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.993 -6.761 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.481 -6.119 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.528 -5.070 -1.196 1.00 0.00 H new ATOM 664 N ALA A 45 -7.566 -1.971 -6.328 1.00 0.00 N ATOM 665 CA ALA A 45 -7.583 -0.602 -6.831 1.00 0.00 C ATOM 666 C ALA A 45 -8.848 -0.336 -7.647 1.00 0.00 C ATOM 667 O ALA A 45 -9.407 0.754 -7.583 1.00 0.00 O ATOM 668 CB ALA A 45 -6.364 -0.366 -7.724 1.00 0.00 C ATOM 0 H ALA A 45 -6.737 -2.500 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.562 0.073 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.380 0.658 -8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.453 -0.527 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.389 -1.060 -8.564 1.00 0.00 H new ATOM 674 N GLY A 46 -9.286 -1.327 -8.430 1.00 0.00 N ATOM 675 CA GLY A 46 -10.477 -1.225 -9.247 1.00 0.00 C ATOM 676 C GLY A 46 -11.700 -1.272 -8.344 1.00 0.00 C ATOM 677 O GLY A 46 -12.635 -0.495 -8.525 1.00 0.00 O ATOM 0 H GLY A 46 -8.812 -2.227 -8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.465 -0.296 -9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.510 -2.041 -9.969 1.00 0.00 H new ATOM 681 N GLU A 47 -11.692 -2.180 -7.364 1.00 0.00 N ATOM 682 CA GLU A 47 -12.809 -2.322 -6.444 1.00 0.00 C ATOM 683 C GLU A 47 -13.140 -1.010 -5.736 1.00 0.00 C ATOM 684 O GLU A 47 -14.298 -0.600 -5.734 1.00 0.00 O ATOM 685 CB GLU A 47 -12.524 -3.395 -5.391 1.00 0.00 C ATOM 686 CG GLU A 47 -12.227 -4.769 -5.997 1.00 0.00 C ATOM 687 CD GLU A 47 -12.307 -5.892 -4.960 1.00 0.00 C ATOM 688 OE1 GLU A 47 -12.765 -5.620 -3.822 1.00 0.00 O ATOM 689 OE2 GLU A 47 -11.898 -7.011 -5.334 1.00 0.00 O ATOM 0 H GLU A 47 -10.921 -2.825 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.667 -2.619 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.675 -3.082 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.382 -3.477 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.935 -4.969 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.232 -4.760 -6.443 1.00 0.00 H new ATOM 696 N TYR A 48 -12.134 -0.377 -5.124 1.00 0.00 N ATOM 697 CA TYR A 48 -12.324 0.837 -4.325 1.00 0.00 C ATOM 698 C TYR A 48 -11.786 2.090 -5.024 1.00 0.00 C ATOM 699 O TYR A 48 -11.307 3.018 -4.370 1.00 0.00 O ATOM 700 CB TYR A 48 -11.696 0.646 -2.937 1.00 0.00 C ATOM 701 CG TYR A 48 -12.170 -0.617 -2.247 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.495 -0.715 -1.781 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.381 -1.774 -2.339 1.00 0.00 C ATOM 704 CE1 TYR A 48 -14.047 -1.976 -1.495 1.00 0.00 C ATOM 705 CE2 TYR A 48 -11.933 -3.034 -2.063 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.284 -3.138 -1.693 1.00 0.00 C ATOM 707 OH TYR A 48 -13.894 -4.356 -1.690 1.00 0.00 O ATOM 0 H TYR A 48 -11.165 -0.692 -5.169 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.395 1.000 -4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.611 0.616 -3.035 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.936 1.507 -2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.087 0.178 -1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.342 -1.694 -2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.058 -2.051 -1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.321 -3.921 -2.135 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.551 -4.895 -2.433 1.00 0.00 H new ATOM 717 N LYS A 49 -11.889 2.125 -6.353 1.00 0.00 N ATOM 718 CA LYS A 49 -11.499 3.283 -7.144 1.00 0.00 C ATOM 719 C LYS A 49 -12.300 4.515 -6.708 1.00 0.00 C ATOM 720 O LYS A 49 -13.346 4.390 -6.071 1.00 0.00 O ATOM 721 CB LYS A 49 -11.731 2.986 -8.634 1.00 0.00 C ATOM 722 CG LYS A 49 -13.202 2.676 -8.956 1.00 0.00 C ATOM 723 CD LYS A 49 -13.323 2.119 -10.380 1.00 0.00 C ATOM 724 CE LYS A 49 -14.726 1.564 -10.658 1.00 0.00 C ATOM 725 NZ LYS A 49 -15.060 0.447 -9.753 1.00 0.00 N ATOM 0 H LYS A 49 -12.246 1.348 -6.908 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.441 3.491 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.407 3.842 -9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.112 2.140 -8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.595 1.954 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.802 3.581 -8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.095 2.906 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.585 1.330 -10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.462 2.360 -10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.785 1.225 -11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.506 -0.319 -10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.192 0.093 -9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.718 0.779 -9.020 1.00 0.00 H new ATOM 739 N ASP A 50 -11.810 5.707 -7.062 1.00 0.00 N ATOM 740 CA ASP A 50 -12.410 7.013 -6.789 1.00 0.00 C ATOM 741 C ASP A 50 -12.232 7.413 -5.331 1.00 0.00 C ATOM 742 O ASP A 50 -11.652 8.453 -5.033 1.00 0.00 O ATOM 743 CB ASP A 50 -13.898 7.041 -7.160 1.00 0.00 C ATOM 744 CG ASP A 50 -14.419 8.471 -7.147 1.00 0.00 C ATOM 745 OD1 ASP A 50 -14.243 9.146 -8.184 1.00 0.00 O ATOM 746 OD2 ASP A 50 -14.978 8.861 -6.100 1.00 0.00 O ATOM 0 H ASP A 50 -10.933 5.789 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.886 7.736 -7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.042 6.603 -8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.467 6.433 -6.456 1.00 0.00 H new ATOM 751 N LYS A 51 -12.685 6.550 -4.426 1.00 0.00 N ATOM 752 CA LYS A 51 -12.637 6.819 -3.003 1.00 0.00 C ATOM 753 C LYS A 51 -11.233 6.596 -2.457 1.00 0.00 C ATOM 754 O LYS A 51 -10.841 7.270 -1.507 1.00 0.00 O ATOM 755 CB LYS A 51 -13.638 5.931 -2.249 1.00 0.00 C ATOM 756 CG LYS A 51 -13.572 4.424 -2.551 1.00 0.00 C ATOM 757 CD LYS A 51 -14.524 3.611 -1.660 1.00 0.00 C ATOM 758 CE LYS A 51 -14.025 3.508 -0.211 1.00 0.00 C ATOM 759 NZ LYS A 51 -14.899 2.645 0.605 1.00 0.00 N ATOM 0 H LYS A 51 -13.094 5.647 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.909 7.863 -2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.484 6.073 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.645 6.282 -2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.823 4.254 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.551 4.071 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.511 4.074 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.638 2.609 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.010 3.110 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.981 4.504 0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.248 3.181 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.705 2.326 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.361 1.819 0.935 1.00 0.00 H new ATOM 773 N LEU A 52 -10.490 5.656 -3.041 1.00 0.00 N ATOM 774 CA LEU A 52 -9.150 5.304 -2.610 1.00 0.00 C ATOM 775 C LEU A 52 -8.247 5.118 -3.823 1.00 0.00 C ATOM 776 O LEU A 52 -8.714 4.734 -4.894 1.00 0.00 O ATOM 777 CB LEU A 52 -9.219 3.979 -1.823 1.00 0.00 C ATOM 778 CG LEU A 52 -8.521 4.057 -0.464 1.00 0.00 C ATOM 779 CD1 LEU A 52 -9.421 4.823 0.509 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.288 2.640 0.071 1.00 0.00 C ATOM 0 H LEU A 52 -10.814 5.112 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.746 6.099 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.263 3.705 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.762 3.186 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.563 4.567 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.934 4.886 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.598 5.828 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.373 4.301 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.791 2.694 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.245 2.131 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.662 2.086 -0.628 1.00 0.00 H new ATOM 792 N LYS A 53 -6.949 5.357 -3.645 1.00 0.00 N ATOM 793 CA LYS A 53 -5.914 5.006 -4.599 1.00 0.00 C ATOM 794 C LYS A 53 -5.206 3.797 -3.966 1.00 0.00 C ATOM 795 O LYS A 53 -5.214 3.658 -2.743 1.00 0.00 O ATOM 796 CB LYS A 53 -4.972 6.205 -4.792 1.00 0.00 C ATOM 797 CG LYS A 53 -4.484 6.428 -6.232 1.00 0.00 C ATOM 798 CD LYS A 53 -3.778 5.208 -6.840 1.00 0.00 C ATOM 799 CE LYS A 53 -3.042 5.543 -8.142 1.00 0.00 C ATOM 800 NZ LYS A 53 -1.876 6.415 -7.913 1.00 0.00 N ATOM 0 H LYS A 53 -6.585 5.813 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.292 4.758 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.484 7.107 -4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.103 6.072 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.336 6.693 -6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.801 7.277 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.067 4.807 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.513 4.426 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.715 4.620 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.730 6.033 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.286 6.438 -8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.201 7.378 -7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.317 6.046 -7.117 1.00 0.00 H new ATOM 814 N CYS A 54 -4.618 2.901 -4.756 1.00 0.00 N ATOM 815 CA CYS A 54 -3.875 1.750 -4.255 1.00 0.00 C ATOM 816 C CYS A 54 -2.566 1.692 -5.022 1.00 0.00 C ATOM 817 O CYS A 54 -2.577 2.006 -6.211 1.00 0.00 O ATOM 818 CB CYS A 54 -4.678 0.470 -4.464 1.00 0.00 C ATOM 819 SG CYS A 54 -3.716 -0.911 -3.813 1.00 0.00 S ATOM 0 H CYS A 54 -4.645 2.956 -5.774 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.687 1.846 -3.186 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.640 0.537 -3.955 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.888 0.321 -5.523 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.041 -2.001 -4.442 1.00 0.00 H new ATOM 825 N VAL A 55 -1.448 1.366 -4.371 1.00 0.00 N ATOM 826 CA VAL A 55 -0.140 1.293 -5.004 1.00 0.00 C ATOM 827 C VAL A 55 0.751 0.336 -4.220 1.00 0.00 C ATOM 828 O VAL A 55 0.352 -0.137 -3.156 1.00 0.00 O ATOM 829 CB VAL A 55 0.533 2.683 -5.100 1.00 0.00 C ATOM 830 CG1 VAL A 55 -0.374 3.857 -5.495 1.00 0.00 C ATOM 831 CG2 VAL A 55 1.165 3.130 -3.795 1.00 0.00 C ATOM 0 H VAL A 55 -1.431 1.143 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.278 0.925 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 55 1.258 2.491 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.213 4.775 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.807 3.668 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.172 3.963 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.620 4.112 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.400 3.187 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.930 2.413 -3.497 1.00 0.00 H new ATOM 841 N LYS A 56 1.973 0.091 -4.706 1.00 0.00 N ATOM 842 CA LYS A 56 2.933 -0.740 -4.000 1.00 0.00 C ATOM 843 C LYS A 56 4.370 -0.206 -4.146 1.00 0.00 C ATOM 844 O LYS A 56 4.794 0.189 -5.235 1.00 0.00 O ATOM 845 CB LYS A 56 2.730 -2.195 -4.440 1.00 0.00 C ATOM 846 CG LYS A 56 3.026 -2.474 -5.918 1.00 0.00 C ATOM 847 CD LYS A 56 2.773 -3.951 -6.256 1.00 0.00 C ATOM 848 CE LYS A 56 1.300 -4.340 -6.060 1.00 0.00 C ATOM 849 NZ LYS A 56 1.015 -5.666 -6.628 1.00 0.00 N ATOM 0 H LYS A 56 2.315 0.463 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 56 2.760 -0.703 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.368 -2.835 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.699 -2.481 -4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.399 -1.840 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.062 -2.218 -6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.064 -4.142 -7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.401 -4.580 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.060 -4.339 -4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.659 -3.595 -6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.053 -5.958 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.090 -5.623 -7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.700 -6.356 -6.259 1.00 0.00 H new ATOM 863 N LEU A 57 5.103 -0.162 -3.026 1.00 0.00 N ATOM 864 CA LEU A 57 6.470 0.349 -2.903 1.00 0.00 C ATOM 865 C LEU A 57 7.464 -0.810 -2.903 1.00 0.00 C ATOM 866 O LEU A 57 7.408 -1.687 -2.040 1.00 0.00 O ATOM 867 CB LEU A 57 6.563 1.189 -1.613 1.00 0.00 C ATOM 868 CG LEU A 57 7.882 1.876 -1.243 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.939 0.891 -0.739 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.438 2.704 -2.395 1.00 0.00 C ATOM 0 H LEU A 57 4.737 -0.500 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 57 6.721 0.985 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.799 1.964 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.291 0.539 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 57 7.642 2.551 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.852 1.432 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.567 0.382 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.152 0.157 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.373 3.173 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.621 2.057 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.718 3.475 -2.669 1.00 0.00 H new ATOM 882 N ASN A 58 8.378 -0.842 -3.883 1.00 0.00 N ATOM 883 CA ASN A 58 9.399 -1.887 -3.924 1.00 0.00 C ATOM 884 C ASN A 58 10.440 -1.594 -2.843 1.00 0.00 C ATOM 885 O ASN A 58 11.288 -0.719 -2.992 1.00 0.00 O ATOM 886 CB ASN A 58 10.039 -2.008 -5.306 1.00 0.00 C ATOM 887 CG ASN A 58 11.046 -3.159 -5.308 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.019 -3.145 -4.563 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.821 -4.189 -6.112 1.00 0.00 N ATOM 0 H ASN A 58 8.428 -0.166 -4.645 1.00 0.00 H new ATOM 0 HA ASN A 58 8.931 -2.852 -3.726 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.271 -2.183 -6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.538 -1.075 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.462 -4.983 -6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.007 -4.188 -6.727 1.00 0.00 H new ATOM 896 N THR A 59 10.365 -2.351 -1.755 1.00 0.00 N ATOM 897 CA THR A 59 11.156 -2.180 -0.546 1.00 0.00 C ATOM 898 C THR A 59 12.634 -2.469 -0.795 1.00 0.00 C ATOM 899 O THR A 59 13.498 -1.899 -0.140 1.00 0.00 O ATOM 900 CB THR A 59 10.578 -3.107 0.536 1.00 0.00 C ATOM 901 OG1 THR A 59 9.180 -2.897 0.614 1.00 0.00 O ATOM 902 CG2 THR A 59 11.193 -2.828 1.907 1.00 0.00 C ATOM 0 H THR A 59 9.719 -3.138 -1.690 1.00 0.00 H new ATOM 0 HA THR A 59 11.101 -1.143 -0.215 1.00 0.00 H new ATOM 0 HB THR A 59 10.809 -4.137 0.262 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.725 -3.486 -0.023 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.759 -3.503 2.645 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.271 -2.985 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.989 -1.797 2.194 1.00 0.00 H new ATOM 910 N ASP A 60 12.929 -3.354 -1.744 1.00 0.00 N ATOM 911 CA ASP A 60 14.292 -3.741 -2.076 1.00 0.00 C ATOM 912 C ASP A 60 15.033 -2.550 -2.698 1.00 0.00 C ATOM 913 O ASP A 60 16.182 -2.260 -2.374 1.00 0.00 O ATOM 914 CB ASP A 60 14.195 -4.931 -3.034 1.00 0.00 C ATOM 915 CG ASP A 60 15.460 -5.773 -3.035 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.420 -5.374 -3.726 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.415 -6.819 -2.348 1.00 0.00 O ATOM 0 H ASP A 60 12.221 -3.825 -2.307 1.00 0.00 H new ATOM 0 HA ASP A 60 14.861 -4.032 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.346 -5.554 -2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.002 -4.568 -4.043 1.00 0.00 H new ATOM 922 N GLU A 61 14.314 -1.845 -3.575 1.00 0.00 N ATOM 923 CA GLU A 61 14.760 -0.669 -4.306 1.00 0.00 C ATOM 924 C GLU A 61 14.605 0.611 -3.471 1.00 0.00 C ATOM 925 O GLU A 61 15.395 1.538 -3.624 1.00 0.00 O ATOM 926 CB GLU A 61 13.929 -0.596 -5.596 1.00 0.00 C ATOM 927 CG GLU A 61 14.317 0.557 -6.533 1.00 0.00 C ATOM 928 CD GLU A 61 15.758 0.459 -7.030 1.00 0.00 C ATOM 929 OE1 GLU A 61 16.178 -0.677 -7.342 1.00 0.00 O ATOM 930 OE2 GLU A 61 16.410 1.522 -7.103 1.00 0.00 O ATOM 0 H GLU A 61 13.352 -2.098 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 61 15.822 -0.750 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.033 -1.538 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.877 -0.495 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.642 0.566 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.182 1.504 -6.011 1.00 0.00 H new ATOM 937 N SER A 62 13.598 0.671 -2.593 1.00 0.00 N ATOM 938 CA SER A 62 13.284 1.807 -1.741 1.00 0.00 C ATOM 939 C SER A 62 13.211 1.394 -0.264 1.00 0.00 C ATOM 940 O SER A 62 12.186 1.592 0.388 1.00 0.00 O ATOM 941 CB SER A 62 11.973 2.427 -2.222 1.00 0.00 C ATOM 942 OG SER A 62 12.180 2.989 -3.503 1.00 0.00 O ATOM 0 H SER A 62 12.955 -0.109 -2.456 1.00 0.00 H new ATOM 0 HA SER A 62 14.079 2.550 -1.812 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.190 1.670 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.639 3.193 -1.523 1.00 0.00 H new ATOM 0 HG SER A 62 13.022 3.490 -3.508 1.00 0.00 H new ATOM 948 N PRO A 63 14.314 0.868 0.284 1.00 0.00 N ATOM 949 CA PRO A 63 14.441 0.480 1.678 1.00 0.00 C ATOM 950 C PRO A 63 14.399 1.712 2.559 1.00 0.00 C ATOM 951 O PRO A 63 13.912 1.691 3.679 1.00 0.00 O ATOM 952 CB PRO A 63 15.813 -0.177 1.776 1.00 0.00 C ATOM 953 CG PRO A 63 16.639 0.447 0.655 1.00 0.00 C ATOM 954 CD PRO A 63 15.572 0.673 -0.415 1.00 0.00 C ATOM 0 HA PRO A 63 13.638 -0.184 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.268 0.007 2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.741 -1.258 1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.114 1.378 0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.432 -0.217 0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.814 1.543 -1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.512 -0.182 -1.088 1.00 0.00 H new ATOM 962 N ASN A 64 14.971 2.777 2.018 1.00 0.00 N ATOM 963 CA ASN A 64 15.070 4.106 2.612 1.00 0.00 C ATOM 964 C ASN A 64 13.795 4.481 3.371 1.00 0.00 C ATOM 965 O ASN A 64 13.763 4.506 4.600 1.00 0.00 O ATOM 966 CB ASN A 64 15.340 5.128 1.500 1.00 0.00 C ATOM 967 CG ASN A 64 16.785 5.109 1.001 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.687 4.630 1.678 1.00 0.00 O ATOM 969 ND2 ASN A 64 17.021 5.611 -0.205 1.00 0.00 N ATOM 0 H ASN A 64 15.406 2.736 1.096 1.00 0.00 H new ATOM 0 HA ASN A 64 15.889 4.106 3.331 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.671 4.929 0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.103 6.126 1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.968 5.603 -0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.256 6.005 -0.752 1.00 0.00 H new ATOM 976 N VAL A 65 12.732 4.765 2.623 1.00 0.00 N ATOM 977 CA VAL A 65 11.444 5.174 3.161 1.00 0.00 C ATOM 978 C VAL A 65 10.928 4.138 4.160 1.00 0.00 C ATOM 979 O VAL A 65 10.452 4.478 5.242 1.00 0.00 O ATOM 980 CB VAL A 65 10.498 5.380 1.970 1.00 0.00 C ATOM 981 CG1 VAL A 65 9.046 5.517 2.414 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.913 6.659 1.237 1.00 0.00 C ATOM 0 H VAL A 65 12.746 4.715 1.604 1.00 0.00 H new ATOM 0 HA VAL A 65 11.521 6.107 3.718 1.00 0.00 H new ATOM 0 HB VAL A 65 10.570 4.507 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.410 5.661 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.740 4.613 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.948 6.375 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.251 6.822 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.844 7.507 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.939 6.559 0.884 1.00 0.00 H new ATOM 992 N ALA A 66 11.037 2.866 3.786 1.00 0.00 N ATOM 993 CA ALA A 66 10.628 1.756 4.638 1.00 0.00 C ATOM 994 C ALA A 66 11.343 1.827 5.996 1.00 0.00 C ATOM 995 O ALA A 66 10.738 1.566 7.032 1.00 0.00 O ATOM 996 CB ALA A 66 10.909 0.430 3.926 1.00 0.00 C ATOM 0 H ALA A 66 11.412 2.577 2.883 1.00 0.00 H new ATOM 0 HA ALA A 66 9.557 1.823 4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.602 -0.398 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.350 0.393 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.975 0.349 3.714 1.00 0.00 H new ATOM 1002 N SER A 67 12.624 2.203 5.999 1.00 0.00 N ATOM 1003 CA SER A 67 13.421 2.341 7.208 1.00 0.00 C ATOM 1004 C SER A 67 12.962 3.568 7.991 1.00 0.00 C ATOM 1005 O SER A 67 12.810 3.496 9.207 1.00 0.00 O ATOM 1006 CB SER A 67 14.910 2.432 6.856 1.00 0.00 C ATOM 1007 OG SER A 67 15.287 1.327 6.058 1.00 0.00 O ATOM 0 H SER A 67 13.139 2.422 5.146 1.00 0.00 H new ATOM 0 HA SER A 67 13.280 1.461 7.835 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.110 3.361 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.507 2.453 7.768 1.00 0.00 H new ATOM 0 HG SER A 67 14.874 1.407 5.173 1.00 0.00 H new ATOM 1013 N GLU A 68 12.728 4.684 7.294 1.00 0.00 N ATOM 1014 CA GLU A 68 12.239 5.912 7.915 1.00 0.00 C ATOM 1015 C GLU A 68 10.925 5.649 8.659 1.00 0.00 C ATOM 1016 O GLU A 68 10.734 6.145 9.766 1.00 0.00 O ATOM 1017 CB GLU A 68 12.034 7.008 6.860 1.00 0.00 C ATOM 1018 CG GLU A 68 13.349 7.504 6.243 1.00 0.00 C ATOM 1019 CD GLU A 68 14.263 8.157 7.275 1.00 0.00 C ATOM 1020 OE1 GLU A 68 13.918 9.278 7.707 1.00 0.00 O ATOM 1021 OE2 GLU A 68 15.286 7.523 7.613 1.00 0.00 O ATOM 0 H GLU A 68 12.873 4.759 6.287 1.00 0.00 H new ATOM 0 HA GLU A 68 12.987 6.253 8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.390 6.626 6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.513 7.850 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.869 6.666 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.129 8.220 5.451 1.00 0.00 H new ATOM 1028 N TYR A 69 10.030 4.859 8.060 1.00 0.00 N ATOM 1029 CA TYR A 69 8.758 4.524 8.692 1.00 0.00 C ATOM 1030 C TYR A 69 8.965 3.438 9.754 1.00 0.00 C ATOM 1031 O TYR A 69 8.265 3.435 10.763 1.00 0.00 O ATOM 1032 CB TYR A 69 7.750 4.070 7.628 1.00 0.00 C ATOM 1033 CG TYR A 69 7.040 5.222 6.939 1.00 0.00 C ATOM 1034 CD1 TYR A 69 6.208 6.076 7.688 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.273 5.496 5.580 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.699 7.250 7.108 1.00 0.00 C ATOM 1037 CE2 TYR A 69 6.752 6.665 4.998 1.00 0.00 C ATOM 1038 CZ TYR A 69 6.016 7.570 5.779 1.00 0.00 C ATOM 1039 OH TYR A 69 5.586 8.747 5.245 1.00 0.00 O ATOM 0 H TYR A 69 10.165 4.441 7.139 1.00 0.00 H new ATOM 0 HA TYR A 69 8.359 5.409 9.187 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.269 3.472 6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.008 3.422 8.094 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.961 5.828 8.710 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.853 4.808 4.983 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.064 7.906 7.685 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.918 6.867 3.950 1.00 0.00 H new ATOM 0 HH TYR A 69 5.891 8.816 4.316 1.00 0.00 H new ATOM 1049 N GLY A 70 9.908 2.521 9.535 1.00 0.00 N ATOM 1050 CA GLY A 70 10.279 1.494 10.502 1.00 0.00 C ATOM 1051 C GLY A 70 9.593 0.166 10.209 1.00 0.00 C ATOM 1052 O GLY A 70 9.043 -0.478 11.100 1.00 0.00 O ATOM 0 H GLY A 70 10.442 2.472 8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.360 1.355 10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.013 1.827 11.505 1.00 0.00 H new ATOM 1056 N ILE A 71 9.633 -0.257 8.947 1.00 0.00 N ATOM 1057 CA ILE A 71 9.050 -1.519 8.525 1.00 0.00 C ATOM 1058 C ILE A 71 10.011 -2.642 8.913 1.00 0.00 C ATOM 1059 O ILE A 71 11.087 -2.767 8.331 1.00 0.00 O ATOM 1060 CB ILE A 71 8.784 -1.470 7.014 1.00 0.00 C ATOM 1061 CG1 ILE A 71 7.799 -0.321 6.739 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.219 -2.807 6.515 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.388 -0.256 5.273 1.00 0.00 C ATOM 0 H ILE A 71 10.072 0.269 8.191 1.00 0.00 H new ATOM 0 HA ILE A 71 8.094 -1.704 9.016 1.00 0.00 H new ATOM 0 HB ILE A 71 9.717 -1.296 6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.911 -0.449 7.358 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.256 0.625 7.029 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.039 -2.748 5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.935 -3.603 6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.282 -3.021 7.029 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.692 0.570 5.126 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.272 -0.100 4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.906 -1.191 4.989 1.00 0.00 H new ATOM 1075 N ARG A 72 9.615 -3.492 9.863 1.00 0.00 N ATOM 1076 CA ARG A 72 10.474 -4.560 10.346 1.00 0.00 C ATOM 1077 C ARG A 72 10.490 -5.736 9.363 1.00 0.00 C ATOM 1078 O ARG A 72 11.483 -6.458 9.278 1.00 0.00 O ATOM 1079 CB ARG A 72 10.051 -4.992 11.765 1.00 0.00 C ATOM 1080 CG ARG A 72 8.778 -5.850 11.919 1.00 0.00 C ATOM 1081 CD ARG A 72 7.500 -5.096 12.328 1.00 0.00 C ATOM 1082 NE ARG A 72 7.003 -4.141 11.328 1.00 0.00 N ATOM 1083 CZ ARG A 72 6.484 -4.457 10.132 1.00 0.00 C ATOM 1084 NH1 ARG A 72 6.429 -5.725 9.721 1.00 0.00 N ATOM 1085 NH2 ARG A 72 6.031 -3.490 9.332 1.00 0.00 N ATOM 0 H ARG A 72 8.699 -3.456 10.311 1.00 0.00 H new ATOM 0 HA ARG A 72 11.496 -4.187 10.410 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.880 -5.546 12.205 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.918 -4.089 12.362 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.589 -6.357 10.973 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.973 -6.623 12.662 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.716 -5.824 12.536 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.692 -4.560 13.258 1.00 0.00 H new ATOM 0 HE ARG A 72 7.057 -3.150 11.564 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.785 -6.471 10.319 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.031 -5.949 8.809 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.080 -2.516 9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.635 -3.725 8.422 1.00 0.00 H new ATOM 1099 N SER A 73 9.399 -5.950 8.621 1.00 0.00 N ATOM 1100 CA SER A 73 9.279 -6.997 7.616 1.00 0.00 C ATOM 1101 C SER A 73 8.127 -6.625 6.687 1.00 0.00 C ATOM 1102 O SER A 73 7.225 -5.901 7.106 1.00 0.00 O ATOM 1103 CB SER A 73 8.994 -8.361 8.263 1.00 0.00 C ATOM 1104 OG SER A 73 9.838 -8.616 9.369 1.00 0.00 O ATOM 0 H SER A 73 8.556 -5.382 8.709 1.00 0.00 H new ATOM 0 HA SER A 73 10.217 -7.079 7.067 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.954 -8.397 8.586 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.124 -9.148 7.520 1.00 0.00 H new ATOM 0 HG SER A 73 9.621 -9.492 9.751 1.00 0.00 H new ATOM 1110 N ILE A 74 8.151 -7.123 5.451 1.00 0.00 N ATOM 1111 CA ILE A 74 7.096 -6.895 4.470 1.00 0.00 C ATOM 1112 C ILE A 74 6.328 -8.212 4.285 1.00 0.00 C ATOM 1113 O ILE A 74 6.888 -9.266 4.586 1.00 0.00 O ATOM 1114 CB ILE A 74 7.683 -6.330 3.165 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.969 -7.028 2.705 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.943 -4.833 3.383 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.220 -6.740 1.225 1.00 0.00 C ATOM 0 H ILE A 74 8.914 -7.703 5.101 1.00 0.00 H new ATOM 0 HA ILE A 74 6.390 -6.140 4.816 1.00 0.00 H new ATOM 0 HB ILE A 74 6.960 -6.506 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.814 -6.681 3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.887 -8.103 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.361 -4.400 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.006 -4.332 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.648 -4.702 4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.135 -7.240 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.381 -7.110 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.323 -5.665 1.076 1.00 0.00 H new ATOM 1129 N PRO A 75 5.063 -8.206 3.832 1.00 0.00 N ATOM 1130 CA PRO A 75 4.276 -7.054 3.418 1.00 0.00 C ATOM 1131 C PRO A 75 3.956 -6.119 4.574 1.00 0.00 C ATOM 1132 O PRO A 75 4.057 -6.476 5.747 1.00 0.00 O ATOM 1133 CB PRO A 75 2.968 -7.618 2.864 1.00 0.00 C ATOM 1134 CG PRO A 75 2.797 -8.874 3.712 1.00 0.00 C ATOM 1135 CD PRO A 75 4.228 -9.393 3.827 1.00 0.00 C ATOM 0 HA PRO A 75 4.838 -6.470 2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.137 -6.924 2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.038 -7.847 1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.367 -8.649 4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.139 -9.600 3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.364 -9.974 4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.478 -10.047 2.992 1.00 0.00 H new ATOM 1143 N THR A 76 3.597 -4.895 4.225 1.00 0.00 N ATOM 1144 CA THR A 76 3.166 -3.873 5.151 1.00 0.00 C ATOM 1145 C THR A 76 2.370 -2.903 4.291 1.00 0.00 C ATOM 1146 O THR A 76 2.946 -2.154 3.499 1.00 0.00 O ATOM 1147 CB THR A 76 4.356 -3.225 5.881 1.00 0.00 C ATOM 1148 OG1 THR A 76 4.935 -4.129 6.803 1.00 0.00 O ATOM 1149 CG2 THR A 76 3.914 -2.014 6.703 1.00 0.00 C ATOM 0 H THR A 76 3.599 -4.579 3.255 1.00 0.00 H new ATOM 0 HA THR A 76 2.556 -4.264 5.965 1.00 0.00 H new ATOM 0 HB THR A 76 5.065 -2.934 5.105 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.587 -5.030 6.640 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.779 -1.580 7.206 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.467 -1.270 6.044 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.181 -2.327 7.447 1.00 0.00 H new ATOM 1157 N ILE A 77 1.043 -2.998 4.379 1.00 0.00 N ATOM 1158 CA ILE A 77 0.160 -2.072 3.705 1.00 0.00 C ATOM 1159 C ILE A 77 0.012 -0.891 4.649 1.00 0.00 C ATOM 1160 O ILE A 77 -0.139 -1.083 5.856 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.196 -2.702 3.321 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -2.048 -3.126 4.530 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -0.938 -3.898 2.394 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -3.428 -3.656 4.134 1.00 0.00 C ATOM 0 H ILE A 77 0.561 -3.718 4.918 1.00 0.00 H new ATOM 0 HA ILE A 77 0.577 -1.762 2.747 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.780 -1.936 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.516 -3.896 5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.171 -2.273 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.888 -4.353 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.421 -3.558 1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.322 -4.633 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.980 -3.938 5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.976 -2.880 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.312 -4.528 3.490 1.00 0.00 H new ATOM 1176 N MET A 78 0.130 0.319 4.118 1.00 0.00 N ATOM 1177 CA MET A 78 -0.079 1.555 4.844 1.00 0.00 C ATOM 1178 C MET A 78 -1.183 2.305 4.136 1.00 0.00 C ATOM 1179 O MET A 78 -1.367 2.152 2.930 1.00 0.00 O ATOM 1180 CB MET A 78 1.161 2.442 4.853 1.00 0.00 C ATOM 1181 CG MET A 78 2.408 1.722 5.354 1.00 0.00 C ATOM 1182 SD MET A 78 3.763 2.812 5.847 1.00 0.00 S ATOM 1183 CE MET A 78 4.806 1.581 6.647 1.00 0.00 C ATOM 0 H MET A 78 0.381 0.467 3.141 1.00 0.00 H new ATOM 0 HA MET A 78 -0.323 1.314 5.879 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.343 2.812 3.844 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.974 3.312 5.482 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.134 1.098 6.205 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.764 1.053 4.570 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.838 1.931 6.659 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.464 1.424 7.670 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.748 0.642 6.097 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.885 3.135 4.889 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.928 3.993 4.367 1.00 0.00 C ATOM 1195 C VAL A 79 -2.456 5.417 4.607 1.00 0.00 C ATOM 1196 O VAL A 79 -2.243 5.799 5.757 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.257 3.696 5.069 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.342 4.673 4.594 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.712 2.260 4.776 1.00 0.00 C ATOM 0 H VAL A 79 -1.742 3.231 5.894 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.106 3.829 3.304 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.105 3.814 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.280 4.449 5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.039 5.694 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.478 4.570 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.658 2.067 5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.844 2.132 3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.958 1.559 5.135 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.260 6.176 3.532 1.00 0.00 N ATOM 1210 CA PHE A 80 -1.849 7.569 3.581 1.00 0.00 C ATOM 1211 C PHE A 80 -2.992 8.443 3.087 1.00 0.00 C ATOM 1212 O PHE A 80 -3.843 7.963 2.344 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.613 7.766 2.703 1.00 0.00 C ATOM 1214 CG PHE A 80 0.657 7.175 3.283 1.00 0.00 C ATOM 1215 CD1 PHE A 80 1.441 7.943 4.162 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.075 5.881 2.925 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.613 7.406 4.715 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.299 5.382 3.407 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.048 6.125 4.334 1.00 0.00 C ATOM 0 H PHE A 80 -2.387 5.827 2.582 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.601 7.849 4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.798 7.317 1.727 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.463 8.833 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.140 8.950 4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.458 5.272 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.181 7.977 5.434 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.663 4.425 3.063 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.955 5.714 4.752 1.00 0.00 H new ATOM 1229 N LYS A 81 -3.010 9.714 3.493 1.00 0.00 N ATOM 1230 CA LYS A 81 -3.977 10.719 3.074 1.00 0.00 C ATOM 1231 C LYS A 81 -3.438 12.077 3.510 1.00 0.00 C ATOM 1232 O LYS A 81 -2.653 12.137 4.450 1.00 0.00 O ATOM 1233 CB LYS A 81 -5.371 10.449 3.677 1.00 0.00 C ATOM 1234 CG LYS A 81 -5.582 10.849 5.150 1.00 0.00 C ATOM 1235 CD LYS A 81 -4.574 10.208 6.112 1.00 0.00 C ATOM 1236 CE LYS A 81 -5.059 10.243 7.566 1.00 0.00 C ATOM 1237 NZ LYS A 81 -5.270 11.623 8.037 1.00 0.00 N ATOM 0 H LYS A 81 -2.321 10.082 4.149 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.105 10.690 1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.110 10.976 3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.582 9.384 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.515 11.933 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.590 10.567 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.397 9.174 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.620 10.729 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.990 9.683 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.328 9.748 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.515 11.611 9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.399 12.174 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.045 12.059 7.498 1.00 0.00 H new ATOM 1251 N GLY A 82 -3.809 13.167 2.836 1.00 0.00 N ATOM 1252 CA GLY A 82 -3.405 14.506 3.254 1.00 0.00 C ATOM 1253 C GLY A 82 -1.914 14.649 3.596 1.00 0.00 C ATOM 1254 O GLY A 82 -1.563 15.350 4.542 1.00 0.00 O ATOM 0 H GLY A 82 -4.389 13.146 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.651 15.210 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.993 14.793 4.126 1.00 0.00 H new ATOM 1258 N GLY A 83 -1.033 13.976 2.849 1.00 0.00 N ATOM 1259 CA GLY A 83 0.404 14.025 3.084 1.00 0.00 C ATOM 1260 C GLY A 83 0.854 13.439 4.428 1.00 0.00 C ATOM 1261 O GLY A 83 1.954 13.755 4.876 1.00 0.00 O ATOM 0 H GLY A 83 -1.302 13.382 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.908 13.487 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.733 15.063 3.027 1.00 0.00 H new ATOM 1265 N LYS A 84 0.037 12.590 5.062 1.00 0.00 N ATOM 1266 CA LYS A 84 0.319 11.942 6.340 1.00 0.00 C ATOM 1267 C LYS A 84 -0.204 10.503 6.312 1.00 0.00 C ATOM 1268 O LYS A 84 -0.954 10.129 5.410 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.352 12.717 7.489 1.00 0.00 C ATOM 1270 CG LYS A 84 0.078 14.186 7.605 1.00 0.00 C ATOM 1271 CD LYS A 84 1.547 14.331 8.036 1.00 0.00 C ATOM 1272 CE LYS A 84 2.027 15.782 7.935 1.00 0.00 C ATOM 1273 NZ LYS A 84 2.031 16.252 6.537 1.00 0.00 N ATOM 0 H LYS A 84 -0.872 12.328 4.681 1.00 0.00 H new ATOM 0 HA LYS A 84 1.397 11.934 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.433 12.678 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.130 12.212 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.068 14.682 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.562 14.694 8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.661 13.981 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.174 13.696 7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.380 16.423 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.031 15.864 8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.894 16.804 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.004 15.434 5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.197 16.850 6.370 1.00 0.00 H new ATOM 1287 N LYS A 85 0.219 9.684 7.280 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.220 8.300 7.407 1.00 0.00 C ATOM 1289 C LYS A 85 -1.463 8.235 8.301 1.00 0.00 C ATOM 1290 O LYS A 85 -1.679 9.116 9.131 1.00 0.00 O ATOM 1291 CB LYS A 85 0.923 7.438 7.967 1.00 0.00 C ATOM 1292 CG LYS A 85 0.718 5.952 7.624 1.00 0.00 C ATOM 1293 CD LYS A 85 1.930 5.091 7.996 1.00 0.00 C ATOM 1294 CE LYS A 85 2.107 4.960 9.511 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.276 4.123 9.836 1.00 0.00 N ATOM 0 H LYS A 85 0.881 9.970 8.001 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.486 7.905 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.874 7.780 7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.978 7.560 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.162 5.580 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.520 5.853 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.816 4.099 7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.830 5.528 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.229 5.949 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.210 4.523 9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.374 4.050 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.146 3.173 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.134 4.555 9.436 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.272 7.190 8.122 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.482 6.911 8.889 1.00 0.00 C ATOM 1311 C CYS A 86 -3.227 5.710 9.798 1.00 0.00 C ATOM 1312 O CYS A 86 -3.255 5.827 11.020 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.640 6.621 7.933 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.156 6.482 8.901 1.00 0.00 S ATOM 0 H CYS A 86 -2.092 6.485 7.407 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.745 7.774 9.500 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.732 7.419 7.196 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.456 5.698 7.383 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.649 5.287 8.766 1.00 0.00 H new ATOM 1320 N GLU A 87 -2.947 4.554 9.188 1.00 0.00 N ATOM 1321 CA GLU A 87 -2.618 3.309 9.872 1.00 0.00 C ATOM 1322 C GLU A 87 -1.875 2.387 8.894 1.00 0.00 C ATOM 1323 O GLU A 87 -1.628 2.772 7.747 1.00 0.00 O ATOM 1324 CB GLU A 87 -3.865 2.657 10.514 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.225 2.978 9.879 1.00 0.00 C ATOM 1326 CD GLU A 87 -5.285 2.718 8.382 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -4.607 1.767 7.937 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -6.023 3.471 7.711 1.00 0.00 O ATOM 0 H GLU A 87 -2.944 4.461 8.172 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.953 3.513 10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.729 1.576 10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.902 2.955 11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.994 2.383 10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.464 4.025 10.065 1.00 0.00 H new ATOM 1335 N THR A 88 -1.483 1.194 9.363 1.00 0.00 N ATOM 1336 CA THR A 88 -0.746 0.205 8.593 1.00 0.00 C ATOM 1337 C THR A 88 -0.996 -1.188 9.176 1.00 0.00 C ATOM 1338 O THR A 88 -1.280 -1.291 10.369 1.00 0.00 O ATOM 1339 CB THR A 88 0.748 0.574 8.598 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.505 -0.425 7.952 1.00 0.00 O ATOM 1341 CG2 THR A 88 1.321 0.742 10.011 1.00 0.00 C ATOM 0 H THR A 88 -1.680 0.890 10.317 1.00 0.00 H new ATOM 0 HA THR A 88 -1.087 0.194 7.558 1.00 0.00 H new ATOM 0 HB THR A 88 0.817 1.528 8.075 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.053 -0.695 7.126 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.378 1.002 9.947 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.783 1.536 10.530 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.210 -0.192 10.562 1.00 0.00 H new ATOM 1349 N ILE A 89 -0.925 -2.238 8.347 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.151 -3.635 8.716 1.00 0.00 C ATOM 1351 C ILE A 89 -0.233 -4.514 7.853 1.00 0.00 C ATOM 1352 O ILE A 89 0.198 -4.092 6.783 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.649 -3.979 8.506 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.576 -3.273 9.518 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -2.930 -5.489 8.569 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -3.384 -3.683 10.984 1.00 0.00 C ATOM 0 H ILE A 89 -0.698 -2.128 7.359 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.915 -3.813 9.765 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.869 -3.614 7.503 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.422 -2.197 9.436 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.610 -3.470 9.236 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.994 -5.668 8.415 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.360 -5.998 7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.635 -5.874 9.545 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.083 -3.129 11.611 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.569 -4.752 11.090 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.363 -3.459 11.294 1.00 0.00 H new ATOM 1368 N ILE A 90 0.080 -5.733 8.305 1.00 0.00 N ATOM 1369 CA ILE A 90 0.882 -6.700 7.559 1.00 0.00 C ATOM 1370 C ILE A 90 -0.053 -7.349 6.534 1.00 0.00 C ATOM 1371 O ILE A 90 -0.996 -8.045 6.898 1.00 0.00 O ATOM 1372 CB ILE A 90 1.516 -7.708 8.539 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.498 -6.950 9.456 1.00 0.00 C ATOM 1374 CG2 ILE A 90 2.252 -8.826 7.784 1.00 0.00 C ATOM 1375 CD1 ILE A 90 3.181 -7.843 10.497 1.00 0.00 C ATOM 0 H ILE A 90 -0.224 -6.078 9.216 1.00 0.00 H new ATOM 0 HA ILE A 90 1.714 -6.238 7.029 1.00 0.00 H new ATOM 0 HB ILE A 90 0.730 -8.174 9.133 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.262 -6.474 8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.960 -6.153 9.970 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.689 -9.522 8.500 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.548 -9.358 7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.042 -8.392 7.171 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.857 -7.242 11.105 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.426 -8.299 11.137 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.747 -8.625 9.991 1.00 0.00 H new ATOM 1387 N GLY A 91 0.210 -7.110 5.246 1.00 0.00 N ATOM 1388 CA GLY A 91 -0.629 -7.549 4.136 1.00 0.00 C ATOM 1389 C GLY A 91 -0.847 -9.060 3.998 1.00 0.00 C ATOM 1390 O GLY A 91 -1.703 -9.462 3.215 1.00 0.00 O ATOM 0 H GLY A 91 1.035 -6.592 4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.604 -7.072 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.188 -7.182 3.209 1.00 0.00 H new ATOM 1394 N ALA A 92 -0.093 -9.912 4.701 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.227 -11.362 4.619 1.00 0.00 C ATOM 1396 C ALA A 92 -1.524 -11.858 5.280 1.00 0.00 C ATOM 1397 O ALA A 92 -1.471 -12.609 6.252 1.00 0.00 O ATOM 1398 CB ALA A 92 1.004 -11.996 5.278 1.00 0.00 C ATOM 0 H ALA A 92 0.634 -9.606 5.348 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.286 -11.657 3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.925 -13.082 5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.904 -11.673 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.060 -11.684 6.321 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.685 -11.461 4.750 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.007 -11.864 5.213 1.00 0.00 C ATOM 1406 C VAL A 93 -4.915 -12.001 3.980 1.00 0.00 C ATOM 1407 O VAL A 93 -4.609 -11.405 2.946 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.573 -10.839 6.217 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.701 -10.719 7.474 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -4.764 -9.448 5.600 1.00 0.00 C ATOM 0 H VAL A 93 -2.726 -10.824 3.954 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.950 -12.818 5.738 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.552 -11.226 6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.139 -9.986 8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.646 -11.687 7.972 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.698 -10.399 7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.165 -8.768 6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.804 -9.072 5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.459 -9.514 4.763 1.00 0.00 H new ATOM 1420 N PRO A 94 -6.010 -12.780 4.043 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.915 -12.956 2.915 1.00 0.00 C ATOM 1422 C PRO A 94 -7.526 -11.646 2.404 1.00 0.00 C ATOM 1423 O PRO A 94 -7.690 -10.684 3.152 1.00 0.00 O ATOM 1424 CB PRO A 94 -8.024 -13.888 3.411 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.352 -14.680 4.529 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.386 -13.664 5.138 1.00 0.00 C ATOM 0 HA PRO A 94 -6.360 -13.361 2.069 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.885 -13.328 3.777 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.384 -14.542 2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.076 -15.038 5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.828 -15.555 4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.860 -13.108 5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.512 -14.158 5.561 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.927 -11.650 1.128 1.00 0.00 N ATOM 1435 CA LYS A 95 -8.571 -10.542 0.432 1.00 0.00 C ATOM 1436 C LYS A 95 -9.695 -9.955 1.276 1.00 0.00 C ATOM 1437 O LYS A 95 -9.775 -8.749 1.482 1.00 0.00 O ATOM 1438 CB LYS A 95 -9.150 -11.078 -0.885 1.00 0.00 C ATOM 1439 CG LYS A 95 -9.812 -9.975 -1.719 1.00 0.00 C ATOM 1440 CD LYS A 95 -10.321 -10.542 -3.048 1.00 0.00 C ATOM 1441 CE LYS A 95 -10.932 -9.409 -3.874 1.00 0.00 C ATOM 1442 NZ LYS A 95 -11.437 -9.884 -5.172 1.00 0.00 N ATOM 0 H LYS A 95 -7.803 -12.466 0.529 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.840 -9.756 0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.354 -11.543 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.882 -11.856 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.640 -9.537 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.097 -9.175 -1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.502 -11.008 -3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.065 -11.318 -2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.747 -8.950 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.182 -8.635 -4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.197 -9.255 -5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.663 -9.884 -5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.808 -10.850 -5.068 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.584 -10.834 1.733 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.704 -10.464 2.587 1.00 0.00 C ATOM 1458 C ALA A 96 -11.200 -9.611 3.754 1.00 0.00 C ATOM 1459 O ALA A 96 -11.700 -8.512 3.992 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.403 -11.730 3.091 1.00 0.00 C ATOM 0 H ALA A 96 -10.545 -11.830 1.518 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.425 -9.876 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.241 -11.453 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.770 -12.306 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.696 -12.333 3.661 1.00 0.00 H new ATOM 1466 N THR A 97 -10.184 -10.105 4.462 1.00 0.00 N ATOM 1467 CA THR A 97 -9.582 -9.407 5.579 1.00 0.00 C ATOM 1468 C THR A 97 -9.030 -8.058 5.113 1.00 0.00 C ATOM 1469 O THR A 97 -9.287 -7.055 5.772 1.00 0.00 O ATOM 1470 CB THR A 97 -8.500 -10.299 6.201 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.980 -11.630 6.249 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.148 -9.838 7.618 1.00 0.00 C ATOM 0 H THR A 97 -9.757 -11.011 4.268 1.00 0.00 H new ATOM 0 HA THR A 97 -10.327 -9.199 6.347 1.00 0.00 H new ATOM 0 HB THR A 97 -7.600 -10.235 5.589 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.578 -12.095 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.379 -10.490 8.032 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.777 -8.814 7.586 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.038 -9.882 8.246 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.300 -8.012 3.990 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.773 -6.758 3.448 1.00 0.00 C ATOM 1482 C ILE A 98 -8.925 -5.756 3.269 1.00 0.00 C ATOM 1483 O ILE A 98 -8.848 -4.626 3.752 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.036 -6.990 2.106 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.802 -7.901 2.225 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.607 -5.642 1.506 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.616 -7.285 2.973 1.00 0.00 C ATOM 0 H ILE A 98 -8.061 -8.836 3.438 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.046 -6.351 4.151 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.747 -7.501 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.095 -8.820 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.476 -8.179 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.089 -5.812 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.488 -5.025 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.939 -5.131 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.795 -8.001 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.290 -6.382 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.918 -7.033 3.990 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.997 -6.168 2.585 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.154 -5.319 2.334 1.00 0.00 C ATOM 1501 C VAL A 99 -11.713 -4.806 3.660 1.00 0.00 C ATOM 1502 O VAL A 99 -11.803 -3.597 3.854 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.217 -6.086 1.523 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.520 -5.281 1.410 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.706 -6.367 0.105 1.00 0.00 C ATOM 0 H VAL A 99 -10.082 -7.105 2.190 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.852 -4.457 1.739 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.411 -7.020 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.250 -5.849 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.917 -5.089 2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.320 -4.333 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.468 -6.909 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.489 -5.424 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.798 -6.968 0.158 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.086 -5.708 4.575 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.639 -5.305 5.865 1.00 0.00 C ATOM 1517 C GLN A 100 -11.706 -4.318 6.568 1.00 0.00 C ATOM 1518 O GLN A 100 -12.157 -3.274 7.035 1.00 0.00 O ATOM 1519 CB GLN A 100 -12.897 -6.539 6.742 1.00 0.00 C ATOM 1520 CG GLN A 100 -13.969 -7.489 6.184 1.00 0.00 C ATOM 1521 CD GLN A 100 -15.329 -6.825 6.008 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -16.203 -6.937 6.861 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -15.524 -6.138 4.888 1.00 0.00 N ATOM 0 H GLN A 100 -12.014 -6.717 4.443 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.591 -4.802 5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.964 -7.090 6.860 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.200 -6.209 7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.635 -7.878 5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.073 -8.342 6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.776 -6.064 4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.422 -5.684 4.718 1.00 0.00 H new ATOM 1532 N THR A 101 -10.414 -4.645 6.615 1.00 0.00 N ATOM 1533 CA THR A 101 -9.380 -3.815 7.221 1.00 0.00 C ATOM 1534 C THR A 101 -9.416 -2.408 6.620 1.00 0.00 C ATOM 1535 O THR A 101 -9.422 -1.432 7.360 1.00 0.00 O ATOM 1536 CB THR A 101 -8.007 -4.482 7.043 1.00 0.00 C ATOM 1537 OG1 THR A 101 -7.997 -5.713 7.733 1.00 0.00 O ATOM 1538 CG2 THR A 101 -6.870 -3.630 7.601 1.00 0.00 C ATOM 0 H THR A 101 -10.052 -5.515 6.223 1.00 0.00 H new ATOM 0 HA THR A 101 -9.566 -3.718 8.291 1.00 0.00 H new ATOM 0 HB THR A 101 -7.851 -4.614 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.439 -6.397 7.188 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.921 -4.145 7.451 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.847 -2.670 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.028 -3.465 8.667 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.442 -2.277 5.293 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.523 -0.957 4.678 1.00 0.00 C ATOM 1548 C VAL A 102 -10.824 -0.270 5.098 1.00 0.00 C ATOM 1549 O VAL A 102 -10.802 0.835 5.636 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.415 -1.091 3.151 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.849 0.175 2.402 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -7.973 -1.409 2.743 1.00 0.00 C ATOM 0 H VAL A 102 -9.409 -3.056 4.635 1.00 0.00 H new ATOM 0 HA VAL A 102 -8.694 -0.336 5.018 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.091 -1.901 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.749 0.015 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.889 0.400 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.218 1.011 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.914 -1.501 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.315 -0.606 3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.663 -2.347 3.204 1.00 0.00 H new ATOM 1562 N GLU A 103 -11.955 -0.935 4.860 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.274 -0.387 5.117 1.00 0.00 C ATOM 1564 C GLU A 103 -13.406 0.167 6.534 1.00 0.00 C ATOM 1565 O GLU A 103 -13.824 1.308 6.688 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.343 -1.441 4.811 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.448 -1.764 3.310 1.00 0.00 C ATOM 1568 CD GLU A 103 -14.870 -0.561 2.471 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -16.089 -0.286 2.438 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -13.967 0.058 1.865 1.00 0.00 O ATOM 0 H GLU A 103 -11.974 -1.881 4.479 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.425 0.463 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.114 -2.355 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.309 -1.087 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.485 -2.129 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.167 -2.571 3.167 1.00 0.00 H new ATOM 1577 N LYS A 104 -12.997 -0.584 7.558 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.116 -0.114 8.941 1.00 0.00 C ATOM 1579 C LYS A 104 -12.379 1.216 9.179 1.00 0.00 C ATOM 1580 O LYS A 104 -12.690 1.918 10.138 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.627 -1.184 9.932 1.00 0.00 C ATOM 1582 CG LYS A 104 -11.156 -1.561 9.745 1.00 0.00 C ATOM 1583 CD LYS A 104 -10.510 -2.152 11.000 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.197 -3.450 11.438 1.00 0.00 C ATOM 1585 NZ LYS A 104 -10.504 -4.058 12.587 1.00 0.00 N ATOM 0 H LYS A 104 -12.584 -1.511 7.459 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.176 0.070 9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.774 -0.821 10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.240 -2.078 9.821 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.075 -2.282 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.598 -0.675 9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.455 -2.346 10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.558 -1.424 11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.234 -3.244 11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.214 -4.154 10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.991 -4.935 12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.521 -4.275 12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.510 -3.394 13.387 1.00 0.00 H new ATOM 1599 N TYR A 105 -11.389 1.562 8.346 1.00 0.00 N ATOM 1600 CA TYR A 105 -10.639 2.805 8.478 1.00 0.00 C ATOM 1601 C TYR A 105 -11.243 3.919 7.610 1.00 0.00 C ATOM 1602 O TYR A 105 -10.632 4.977 7.478 1.00 0.00 O ATOM 1603 CB TYR A 105 -9.171 2.547 8.103 1.00 0.00 C ATOM 1604 CG TYR A 105 -8.471 1.414 8.835 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -8.668 1.225 10.216 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -7.529 0.618 8.153 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -7.945 0.237 10.905 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -6.769 -0.334 8.856 1.00 0.00 C ATOM 1609 CZ TYR A 105 -6.995 -0.540 10.226 1.00 0.00 C ATOM 1610 OH TYR A 105 -6.278 -1.475 10.909 1.00 0.00 O ATOM 0 H TYR A 105 -11.090 0.982 7.562 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.694 3.145 9.512 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.123 2.342 7.033 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -8.609 3.464 8.277 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.377 1.842 10.748 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -7.390 0.739 7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.121 0.076 11.958 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.011 -0.907 8.342 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.030 -2.204 10.303 1.00 0.00 H new