USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 396 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 52 SER OG : rot 89:sc= 1.86 USER MOD Set 1.2: A 54 SER OG : rot 99:sc= 1.23 USER MOD Set 1.3: A 57 ASN :FLIP amide:sc= -0.527 F(o=1.7,f=2.6) USER MOD Set 2.1: A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 8 SER OG : rot 169:sc= 1.85 USER MOD Set 3.2: A 9 LYS NZ :NH3+ -139:sc= -0.137 (180deg=-0.759) USER MOD Set 3.3: A 29 LYS NZ :NH3+ -161:sc= 0.965 (180deg=-0.17) USER MOD Single : A 1 LYS N :NH3+ -102:sc= 0.126 (180deg=-0.107) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot -19:sc= 0.928 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0128 USER MOD Single : A 12 LYS NZ :NH3+ -157:sc= 0.786 (180deg=0.0439) USER MOD Single : A 14 SER OG : rot -32:sc= 0.0102 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0664 K(o=-0.066,f=-1.7) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.39 K(o=-1.4,f=-5.7!) USER MOD Single : A 24 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -163:sc= 0 (180deg=-0.0963) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.035) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0455 K(o=-0.046,f=-0.88) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 45:sc= 1.17 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.652 K(o=-0.65,f=-9.7!) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0.691 (180deg=0.663) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 1.158 0.862 1.00 10.00 C ATOM 4 O LYS A 1 1.201 2.071 1.188 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.021 -1.433 1.00 10.00 C ATOM 6 CG LYS A 1 1.793 1.397 -2.072 1.00 10.00 C ATOM 7 CD LYS A 1 2.033 1.340 -3.582 1.00 10.00 C ATOM 8 CE LYS A 1 3.499 1.034 -3.893 1.00 10.00 C ATOM 9 NZ LYS A 1 3.645 -0.350 -4.396 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.736 0.648 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 0.929 0.314 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 -0.193 -0.961 1.00 10.00 H new ATOM 0 HA LYS A 1 1.833 -0.919 0.445 1.00 10.00 H new ATOM 0 HB2 LYS A 1 3.048 -0.236 -1.433 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.478 -0.736 -2.027 1.00 10.00 H new ATOM 0 HG2 LYS A 1 0.782 1.753 -1.874 1.00 10.00 H new ATOM 0 HG3 LYS A 1 2.478 2.113 -1.618 1.00 10.00 H new ATOM 0 HD2 LYS A 1 1.396 0.575 -4.026 1.00 10.00 H new ATOM 0 HD3 LYS A 1 1.752 2.291 -4.035 1.00 10.00 H new ATOM 0 HE2 LYS A 1 3.874 1.738 -4.636 1.00 10.00 H new ATOM 0 HE3 LYS A 1 4.103 1.166 -2.995 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 4.646 -0.541 -4.602 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 3.306 -1.019 -3.675 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 3.085 -0.465 -5.265 1.00 10.00 H new ATOM 22 N ASP A 2 3.236 1.083 1.208 1.00 10.00 N ATOM 23 CA ASP A 2 3.825 2.058 2.110 1.00 10.00 C ATOM 24 C ASP A 2 5.272 2.325 1.690 1.00 10.00 C ATOM 25 O ASP A 2 5.909 1.476 1.068 1.00 10.00 O ATOM 26 CB ASP A 2 3.839 1.539 3.549 1.00 10.00 C ATOM 27 CG ASP A 2 2.554 0.839 3.996 1.00 10.00 C ATOM 28 OD1 ASP A 2 2.568 -0.342 4.373 1.00 10.00 O ATOM 29 OD2 ASP A 2 1.491 1.568 3.946 1.00 10.00 O ATOM 0 H ASP A 2 3.879 0.362 0.880 1.00 10.00 H new ATOM 0 HA ASP A 2 3.227 2.968 2.061 1.00 10.00 H new ATOM 0 HB2 ASP A 2 4.671 0.844 3.661 1.00 10.00 H new ATOM 0 HB3 ASP A 2 4.031 2.377 4.220 1.00 10.00 H new ATOM 35 N GLY A 3 5.749 3.509 2.046 1.00 10.00 N ATOM 36 CA GLY A 3 7.132 3.868 1.783 1.00 10.00 C ATOM 37 C GLY A 3 7.266 5.366 1.500 1.00 10.00 C ATOM 38 O GLY A 3 6.391 6.150 1.863 1.00 10.00 O ATOM 0 H GLY A 3 5.202 4.232 2.514 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.750 3.599 2.640 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.503 3.299 0.931 1.00 10.00 H new ATOM 42 N TYR A 4 8.367 5.717 0.853 1.00 10.00 N ATOM 43 CA TYR A 4 8.595 7.097 0.457 1.00 10.00 C ATOM 44 C TYR A 4 8.154 7.332 -0.989 1.00 10.00 C ATOM 45 O TYR A 4 8.680 6.709 -1.911 1.00 10.00 O ATOM 46 CB TYR A 4 10.105 7.322 0.561 1.00 10.00 C ATOM 47 CG TYR A 4 10.764 6.589 1.731 1.00 10.00 C ATOM 48 CD1 TYR A 4 10.573 7.037 3.022 1.00 10.00 C ATOM 49 CD2 TYR A 4 11.550 5.479 1.495 1.00 10.00 C ATOM 50 CE1 TYR A 4 11.194 6.347 4.123 1.00 10.00 C ATOM 51 CE2 TYR A 4 12.171 4.789 2.596 1.00 10.00 C ATOM 52 CZ TYR A 4 11.962 5.257 3.856 1.00 10.00 C ATOM 53 OH TYR A 4 12.548 4.606 4.896 1.00 10.00 O ATOM 0 H TYR A 4 9.111 5.070 0.593 1.00 10.00 H new ATOM 0 HA TYR A 4 8.027 7.777 1.091 1.00 10.00 H new ATOM 0 HB2 TYR A 4 10.575 6.999 -0.368 1.00 10.00 H new ATOM 0 HB3 TYR A 4 10.297 8.390 0.660 1.00 10.00 H new ATOM 0 HD1 TYR A 4 9.958 7.905 3.207 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.699 5.128 0.485 1.00 10.00 H new ATOM 0 HE1 TYR A 4 11.053 6.688 5.138 1.00 10.00 H new ATOM 0 HE2 TYR A 4 12.789 3.920 2.425 1.00 10.00 H new ATOM 0 HH TYR A 4 12.575 5.196 5.678 1.00 10.00 H new ATOM 63 N PRO A 5 7.169 8.255 -1.147 1.00 10.00 N ATOM 64 CA PRO A 5 6.596 8.523 -2.455 1.00 10.00 C ATOM 65 C PRO A 5 7.556 9.349 -3.315 1.00 10.00 C ATOM 66 O PRO A 5 8.111 10.344 -2.851 1.00 10.00 O ATOM 67 CB PRO A 5 5.286 9.239 -2.172 1.00 10.00 C ATOM 68 CG PRO A 5 5.394 9.758 -0.748 1.00 10.00 C ATOM 69 CD PRO A 5 6.576 9.067 -0.088 1.00 10.00 C ATOM 0 HA PRO A 5 6.421 7.615 -3.032 1.00 10.00 H new ATOM 0 HB2 PRO A 5 5.128 10.057 -2.875 1.00 10.00 H new ATOM 0 HB3 PRO A 5 4.439 8.561 -2.277 1.00 10.00 H new ATOM 0 HG2 PRO A 5 5.534 10.839 -0.745 1.00 10.00 H new ATOM 0 HG3 PRO A 5 4.476 9.554 -0.197 1.00 10.00 H new ATOM 0 HD2 PRO A 5 7.291 9.791 0.303 1.00 10.00 H new ATOM 0 HD3 PRO A 5 6.256 8.450 0.752 1.00 10.00 H new ATOM 77 N VAL A 6 7.721 8.905 -4.553 1.00 10.00 N ATOM 78 CA VAL A 6 8.695 9.514 -5.442 1.00 10.00 C ATOM 79 C VAL A 6 8.099 9.623 -6.847 1.00 10.00 C ATOM 80 O VAL A 6 8.313 8.749 -7.685 1.00 10.00 O ATOM 81 CB VAL A 6 10.003 8.721 -5.407 1.00 10.00 C ATOM 82 CG1 VAL A 6 10.856 9.123 -4.202 1.00 10.00 C ATOM 83 CG2 VAL A 6 9.732 7.216 -5.410 1.00 10.00 C ATOM 0 H VAL A 6 7.196 8.131 -4.961 1.00 10.00 H new ATOM 0 HA VAL A 6 8.934 10.525 -5.111 1.00 10.00 H new ATOM 0 HB VAL A 6 10.565 8.961 -6.310 1.00 10.00 H new ATOM 0 HG11 VAL A 6 11.780 8.544 -4.201 1.00 10.00 H new ATOM 0 HG12 VAL A 6 11.093 10.185 -4.262 1.00 10.00 H new ATOM 0 HG13 VAL A 6 10.304 8.926 -3.283 1.00 10.00 H new ATOM 0 HG21 VAL A 6 10.678 6.676 -5.385 1.00 10.00 H new ATOM 0 HG22 VAL A 6 9.140 6.951 -4.534 1.00 10.00 H new ATOM 0 HG23 VAL A 6 9.185 6.947 -6.313 1.00 10.00 H new ATOM 93 N ASP A 7 7.363 10.704 -7.060 1.00 10.00 N ATOM 94 CA ASP A 7 6.710 10.924 -8.339 1.00 10.00 C ATOM 95 C ASP A 7 6.380 12.410 -8.490 1.00 10.00 C ATOM 96 O ASP A 7 6.961 13.097 -9.328 1.00 10.00 O ATOM 97 CB ASP A 7 5.401 10.137 -8.432 1.00 10.00 C ATOM 98 CG ASP A 7 4.747 9.810 -7.088 1.00 10.00 C ATOM 99 OD1 ASP A 7 4.344 8.665 -6.835 1.00 10.00 O ATOM 100 OD2 ASP A 7 4.656 10.804 -6.270 1.00 10.00 O ATOM 0 H ASP A 7 7.205 11.437 -6.368 1.00 10.00 H new ATOM 0 HA ASP A 7 7.388 10.591 -9.125 1.00 10.00 H new ATOM 0 HB2 ASP A 7 4.694 10.707 -9.034 1.00 10.00 H new ATOM 0 HB3 ASP A 7 5.592 9.204 -8.963 1.00 10.00 H new ATOM 106 N SER A 8 5.447 12.863 -7.665 1.00 10.00 N ATOM 107 CA SER A 8 4.939 14.219 -7.782 1.00 10.00 C ATOM 108 C SER A 8 6.044 15.222 -7.442 1.00 10.00 C ATOM 109 O SER A 8 6.172 16.254 -8.098 1.00 10.00 O ATOM 110 CB SER A 8 3.729 14.434 -6.871 1.00 10.00 C ATOM 111 OG SER A 8 4.073 14.330 -5.492 1.00 10.00 O ATOM 0 H SER A 8 5.030 12.315 -6.913 1.00 10.00 H new ATOM 0 HA SER A 8 4.617 14.377 -8.811 1.00 10.00 H new ATOM 0 HB2 SER A 8 3.300 15.417 -7.064 1.00 10.00 H new ATOM 0 HB3 SER A 8 2.961 13.698 -7.109 1.00 10.00 H new ATOM 0 HG SER A 8 3.324 14.645 -4.943 1.00 10.00 H new ATOM 117 N LYS A 9 6.813 14.883 -6.418 1.00 10.00 N ATOM 118 CA LYS A 9 7.920 15.726 -6.002 1.00 10.00 C ATOM 119 C LYS A 9 9.195 15.279 -6.720 1.00 10.00 C ATOM 120 O LYS A 9 10.143 16.052 -6.849 1.00 10.00 O ATOM 121 CB LYS A 9 8.044 15.734 -4.477 1.00 10.00 C ATOM 122 CG LYS A 9 8.560 14.389 -3.962 1.00 10.00 C ATOM 123 CD LYS A 9 7.926 14.037 -2.615 1.00 10.00 C ATOM 124 CE LYS A 9 6.638 13.233 -2.809 1.00 10.00 C ATOM 125 NZ LYS A 9 5.501 14.136 -3.091 1.00 10.00 N ATOM 0 H LYS A 9 6.691 14.035 -5.864 1.00 10.00 H new ATOM 0 HA LYS A 9 7.738 16.762 -6.290 1.00 10.00 H new ATOM 0 HB2 LYS A 9 8.721 16.530 -4.168 1.00 10.00 H new ATOM 0 HB3 LYS A 9 7.073 15.950 -4.031 1.00 10.00 H new ATOM 0 HG2 LYS A 9 8.336 13.608 -4.688 1.00 10.00 H new ATOM 0 HG3 LYS A 9 9.644 14.427 -3.859 1.00 10.00 H new ATOM 0 HD2 LYS A 9 8.632 13.461 -2.016 1.00 10.00 H new ATOM 0 HD3 LYS A 9 7.709 14.950 -2.061 1.00 10.00 H new ATOM 0 HE2 LYS A 9 6.763 12.528 -3.631 1.00 10.00 H new ATOM 0 HE3 LYS A 9 6.431 12.646 -1.914 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 4.660 13.807 -2.574 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 5.740 15.101 -2.785 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 5.302 14.135 -4.112 1.00 10.00 H new ATOM 138 N GLY A 10 9.176 14.033 -7.169 1.00 10.00 N ATOM 139 CA GLY A 10 10.341 13.453 -7.816 1.00 10.00 C ATOM 140 C GLY A 10 11.201 12.686 -6.810 1.00 10.00 C ATOM 141 O GLY A 10 11.282 11.460 -6.864 1.00 10.00 O ATOM 0 H GLY A 10 8.373 13.409 -7.098 1.00 10.00 H new ATOM 0 HA2 GLY A 10 10.022 12.782 -8.614 1.00 10.00 H new ATOM 0 HA3 GLY A 10 10.934 14.241 -8.280 1.00 10.00 H new ATOM 145 N CYS A 11 11.823 13.440 -5.916 1.00 10.00 N ATOM 146 CA CYS A 11 12.832 12.877 -5.034 1.00 10.00 C ATOM 147 C CYS A 11 12.545 13.355 -3.609 1.00 10.00 C ATOM 148 O CYS A 11 13.159 14.310 -3.135 1.00 10.00 O ATOM 149 CB CYS A 11 14.247 13.245 -5.485 1.00 10.00 C ATOM 150 SG CYS A 11 14.850 12.324 -6.947 1.00 10.00 S ATOM 0 H CYS A 11 11.648 14.436 -5.783 1.00 10.00 H new ATOM 0 HA CYS A 11 12.782 11.789 -5.068 1.00 10.00 H new ATOM 0 HB2 CYS A 11 14.276 14.312 -5.707 1.00 10.00 H new ATOM 0 HB3 CYS A 11 14.934 13.073 -4.656 1.00 10.00 H new ATOM 0 HG CYS A 11 16.054 12.717 -7.241 1.00 10.00 H new ATOM 155 N LYS A 12 11.611 12.670 -2.966 1.00 10.00 N ATOM 156 CA LYS A 12 11.639 12.543 -1.519 1.00 10.00 C ATOM 157 C LYS A 12 11.173 13.856 -0.886 1.00 10.00 C ATOM 158 O LYS A 12 11.093 14.880 -1.562 1.00 10.00 O ATOM 159 CB LYS A 12 13.022 12.090 -1.047 1.00 10.00 C ATOM 160 CG LYS A 12 13.329 10.671 -1.531 1.00 10.00 C ATOM 161 CD LYS A 12 12.506 9.639 -0.759 1.00 10.00 C ATOM 162 CE LYS A 12 13.304 8.351 -0.544 1.00 10.00 C ATOM 163 NZ LYS A 12 13.546 7.670 -1.836 1.00 10.00 N ATOM 0 H LYS A 12 10.830 12.197 -3.421 1.00 10.00 H new ATOM 0 HA LYS A 12 10.946 11.768 -1.192 1.00 10.00 H new ATOM 0 HB2 LYS A 12 13.781 12.778 -1.420 1.00 10.00 H new ATOM 0 HB3 LYS A 12 13.068 12.125 0.041 1.00 10.00 H new ATOM 0 HG2 LYS A 12 13.112 10.591 -2.596 1.00 10.00 H new ATOM 0 HG3 LYS A 12 14.391 10.462 -1.405 1.00 10.00 H new ATOM 0 HD2 LYS A 12 12.209 10.052 0.205 1.00 10.00 H new ATOM 0 HD3 LYS A 12 11.590 9.416 -1.306 1.00 10.00 H new ATOM 0 HE2 LYS A 12 14.255 8.581 -0.064 1.00 10.00 H new ATOM 0 HE3 LYS A 12 12.760 7.687 0.128 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 13.723 6.659 -1.668 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 12.712 7.778 -2.447 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 14.374 8.094 -2.302 1.00 10.00 H new ATOM 176 N LEU A 13 10.878 13.783 0.403 1.00 10.00 N ATOM 177 CA LEU A 13 10.891 14.969 1.242 1.00 10.00 C ATOM 178 C LEU A 13 11.353 14.587 2.650 1.00 10.00 C ATOM 179 O LEU A 13 11.078 13.484 3.120 1.00 10.00 O ATOM 180 CB LEU A 13 9.528 15.664 1.209 1.00 10.00 C ATOM 181 CG LEU A 13 8.381 14.923 1.900 1.00 10.00 C ATOM 182 CD1 LEU A 13 7.457 15.901 2.628 1.00 10.00 C ATOM 183 CD2 LEU A 13 7.618 14.046 0.905 1.00 10.00 C ATOM 0 H LEU A 13 10.628 12.921 0.887 1.00 10.00 H new ATOM 0 HA LEU A 13 11.604 15.699 0.859 1.00 10.00 H new ATOM 0 HB2 LEU A 13 9.631 16.645 1.672 1.00 10.00 H new ATOM 0 HB3 LEU A 13 9.252 15.830 0.168 1.00 10.00 H new ATOM 0 HG LEU A 13 8.806 14.260 2.654 1.00 10.00 H new ATOM 0 HD11 LEU A 13 6.650 15.349 3.110 1.00 10.00 H new ATOM 0 HD12 LEU A 13 8.025 16.446 3.382 1.00 10.00 H new ATOM 0 HD13 LEU A 13 7.036 16.606 1.911 1.00 10.00 H new ATOM 0 HD21 LEU A 13 6.808 13.530 1.421 1.00 10.00 H new ATOM 0 HD22 LEU A 13 7.204 14.670 0.113 1.00 10.00 H new ATOM 0 HD23 LEU A 13 8.297 13.312 0.471 1.00 10.00 H new ATOM 195 N SER A 14 12.046 15.521 3.285 1.00 10.00 N ATOM 196 CA SER A 14 12.706 15.236 4.547 1.00 10.00 C ATOM 197 C SER A 14 11.731 15.452 5.707 1.00 10.00 C ATOM 198 O SER A 14 11.951 14.951 6.809 1.00 10.00 O ATOM 199 CB SER A 14 13.949 16.109 4.729 1.00 10.00 C ATOM 200 OG SER A 14 14.624 15.829 5.952 1.00 10.00 O ATOM 0 H SER A 14 12.165 16.477 2.948 1.00 10.00 H new ATOM 0 HA SER A 14 13.026 14.194 4.538 1.00 10.00 H new ATOM 0 HB2 SER A 14 14.631 15.948 3.894 1.00 10.00 H new ATOM 0 HB3 SER A 14 13.660 17.160 4.707 1.00 10.00 H new ATOM 0 HG SER A 14 13.972 15.557 6.631 1.00 10.00 H new ATOM 206 N CYS A 15 10.676 16.199 5.420 1.00 10.00 N ATOM 207 CA CYS A 15 9.785 16.671 6.466 1.00 10.00 C ATOM 208 C CYS A 15 10.526 17.728 7.288 1.00 10.00 C ATOM 209 O CYS A 15 11.718 17.587 7.556 1.00 10.00 O ATOM 210 CB CYS A 15 9.280 15.521 7.340 1.00 10.00 C ATOM 211 SG CYS A 15 10.072 15.400 8.985 1.00 10.00 S ATOM 0 H CYS A 15 10.418 16.490 4.477 1.00 10.00 H new ATOM 0 HA CYS A 15 8.898 17.117 6.017 1.00 10.00 H new ATOM 0 HB2 CYS A 15 8.205 15.634 7.478 1.00 10.00 H new ATOM 0 HB3 CYS A 15 9.437 14.583 6.807 1.00 10.00 H new ATOM 216 N VAL A 16 9.789 18.763 7.663 1.00 10.00 N ATOM 217 CA VAL A 16 10.367 19.854 8.430 1.00 10.00 C ATOM 218 C VAL A 16 10.082 19.634 9.917 1.00 10.00 C ATOM 219 O VAL A 16 10.660 20.305 10.770 1.00 10.00 O ATOM 220 CB VAL A 16 9.841 21.194 7.912 1.00 10.00 C ATOM 221 CG1 VAL A 16 8.455 21.497 8.486 1.00 10.00 C ATOM 222 CG2 VAL A 16 10.822 22.326 8.222 1.00 10.00 C ATOM 0 H VAL A 16 8.797 18.869 7.450 1.00 10.00 H new ATOM 0 HA VAL A 16 11.450 19.876 8.307 1.00 10.00 H new ATOM 0 HB VAL A 16 9.747 21.121 6.829 1.00 10.00 H new ATOM 0 HG11 VAL A 16 8.104 22.455 8.102 1.00 10.00 H new ATOM 0 HG12 VAL A 16 7.759 20.711 8.192 1.00 10.00 H new ATOM 0 HG13 VAL A 16 8.513 21.541 9.574 1.00 10.00 H new ATOM 0 HG21 VAL A 16 10.423 23.267 7.843 1.00 10.00 H new ATOM 0 HG22 VAL A 16 10.963 22.400 9.300 1.00 10.00 H new ATOM 0 HG23 VAL A 16 11.779 22.119 7.744 1.00 10.00 H new ATOM 232 N ALA A 17 9.190 18.690 10.182 1.00 10.00 N ATOM 233 CA ALA A 17 8.778 18.413 11.548 1.00 10.00 C ATOM 234 C ALA A 17 8.147 17.021 11.612 1.00 10.00 C ATOM 235 O ALA A 17 7.684 16.497 10.600 1.00 10.00 O ATOM 236 CB ALA A 17 7.823 19.509 12.026 1.00 10.00 C ATOM 0 H ALA A 17 8.742 18.108 9.475 1.00 10.00 H new ATOM 0 HA ALA A 17 9.638 18.417 12.217 1.00 10.00 H new ATOM 0 HB1 ALA A 17 7.514 19.301 13.050 1.00 10.00 H new ATOM 0 HB2 ALA A 17 8.328 20.474 11.988 1.00 10.00 H new ATOM 0 HB3 ALA A 17 6.945 19.534 11.380 1.00 10.00 H new ATOM 242 N ASN A 18 8.148 16.461 12.813 1.00 10.00 N ATOM 243 CA ASN A 18 7.787 15.064 12.988 1.00 10.00 C ATOM 244 C ASN A 18 6.371 14.837 12.453 1.00 10.00 C ATOM 245 O ASN A 18 6.095 13.810 11.835 1.00 10.00 O ATOM 246 CB ASN A 18 7.802 14.672 14.467 1.00 10.00 C ATOM 247 CG ASN A 18 9.214 14.777 15.047 1.00 10.00 C ATOM 248 OD1 ASN A 18 10.057 13.916 14.856 1.00 10.00 O ATOM 249 ND2 ASN A 18 9.424 15.877 15.764 1.00 10.00 N ATOM 0 H ASN A 18 8.393 16.949 13.674 1.00 10.00 H new ATOM 0 HA ASN A 18 8.513 14.458 12.447 1.00 10.00 H new ATOM 0 HB2 ASN A 18 7.126 15.320 15.026 1.00 10.00 H new ATOM 0 HB3 ASN A 18 7.433 13.653 14.581 1.00 10.00 H new ATOM 0 HD21 ASN A 18 10.335 16.040 16.193 1.00 10.00 H new ATOM 0 HD22 ASN A 18 8.674 16.558 15.885 1.00 10.00 H new ATOM 256 N ASN A 19 5.512 15.812 12.711 1.00 10.00 N ATOM 257 CA ASN A 19 4.108 15.684 12.361 1.00 10.00 C ATOM 258 C ASN A 19 3.945 15.863 10.850 1.00 10.00 C ATOM 259 O ASN A 19 3.037 15.292 10.249 1.00 10.00 O ATOM 260 CB ASN A 19 3.267 16.756 13.057 1.00 10.00 C ATOM 261 CG ASN A 19 3.767 18.159 12.706 1.00 10.00 C ATOM 262 OD1 ASN A 19 4.782 18.626 13.197 1.00 10.00 O ATOM 263 ND2 ASN A 19 3.000 18.804 11.831 1.00 10.00 N ATOM 0 H ASN A 19 5.761 16.694 13.158 1.00 10.00 H new ATOM 0 HA ASN A 19 3.770 14.698 12.679 1.00 10.00 H new ATOM 0 HB2 ASN A 19 2.223 16.653 12.761 1.00 10.00 H new ATOM 0 HB3 ASN A 19 3.308 16.611 14.137 1.00 10.00 H new ATOM 0 HD21 ASN A 19 3.249 19.747 11.533 1.00 10.00 H new ATOM 0 HD22 ASN A 19 2.163 18.355 11.458 1.00 10.00 H new ATOM 270 N TYR A 20 4.839 16.657 10.281 1.00 10.00 N ATOM 271 CA TYR A 20 4.592 17.249 8.977 1.00 10.00 C ATOM 272 C TYR A 20 4.322 16.169 7.927 1.00 10.00 C ATOM 273 O TYR A 20 3.494 16.357 7.037 1.00 10.00 O ATOM 274 CB TYR A 20 5.873 17.997 8.603 1.00 10.00 C ATOM 275 CG TYR A 20 5.770 18.797 7.303 1.00 10.00 C ATOM 276 CD1 TYR A 20 5.310 20.098 7.327 1.00 10.00 C ATOM 277 CD2 TYR A 20 6.138 18.217 6.106 1.00 10.00 C ATOM 278 CE1 TYR A 20 5.213 20.850 6.103 1.00 10.00 C ATOM 279 CE2 TYR A 20 6.041 18.970 4.882 1.00 10.00 C ATOM 280 CZ TYR A 20 5.583 20.249 4.941 1.00 10.00 C ATOM 281 OH TYR A 20 5.492 20.960 3.785 1.00 10.00 O ATOM 0 H TYR A 20 5.736 16.905 10.699 1.00 10.00 H new ATOM 0 HA TYR A 20 3.721 17.903 9.012 1.00 10.00 H new ATOM 0 HB2 TYR A 20 6.136 18.675 9.415 1.00 10.00 H new ATOM 0 HB3 TYR A 20 6.688 17.278 8.512 1.00 10.00 H new ATOM 0 HD1 TYR A 20 5.023 20.552 8.264 1.00 10.00 H new ATOM 0 HD2 TYR A 20 6.498 17.199 6.087 1.00 10.00 H new ATOM 0 HE1 TYR A 20 4.854 21.869 6.108 1.00 10.00 H new ATOM 0 HE2 TYR A 20 6.326 18.529 3.938 1.00 10.00 H new ATOM 0 HH TYR A 20 5.791 20.405 3.035 1.00 10.00 H new ATOM 291 N CYS A 21 5.037 15.062 8.066 1.00 10.00 N ATOM 292 CA CYS A 21 4.940 13.982 7.098 1.00 10.00 C ATOM 293 C CYS A 21 3.477 13.544 7.013 1.00 10.00 C ATOM 294 O CYS A 21 2.939 13.371 5.920 1.00 10.00 O ATOM 295 CB CYS A 21 5.865 12.817 7.456 1.00 10.00 C ATOM 296 SG CYS A 21 5.674 11.334 6.401 1.00 10.00 S ATOM 0 H CYS A 21 5.686 14.890 8.834 1.00 10.00 H new ATOM 0 HA CYS A 21 5.270 14.335 6.121 1.00 10.00 H new ATOM 0 HB2 CYS A 21 6.898 13.159 7.394 1.00 10.00 H new ATOM 0 HB3 CYS A 21 5.685 12.534 8.493 1.00 10.00 H new ATOM 301 N ASP A 22 2.873 13.377 8.181 1.00 10.00 N ATOM 302 CA ASP A 22 1.617 12.652 8.277 1.00 10.00 C ATOM 303 C ASP A 22 0.542 13.396 7.482 1.00 10.00 C ATOM 304 O ASP A 22 -0.162 12.795 6.672 1.00 10.00 O ATOM 305 CB ASP A 22 1.148 12.555 9.730 1.00 10.00 C ATOM 306 CG ASP A 22 0.006 11.567 9.976 1.00 10.00 C ATOM 307 OD1 ASP A 22 -0.312 10.732 9.116 1.00 10.00 O ATOM 308 OD2 ASP A 22 -0.576 11.680 11.122 1.00 10.00 O ATOM 0 H ASP A 22 3.230 13.731 9.068 1.00 10.00 H new ATOM 0 HA ASP A 22 1.775 11.649 7.881 1.00 10.00 H new ATOM 0 HB2 ASP A 22 1.996 12.269 10.352 1.00 10.00 H new ATOM 0 HB3 ASP A 22 0.830 13.544 10.060 1.00 10.00 H new ATOM 314 N ASN A 23 0.450 14.692 7.740 1.00 10.00 N ATOM 315 CA ASN A 23 -0.543 15.519 7.076 1.00 10.00 C ATOM 316 C ASN A 23 -0.172 15.667 5.599 1.00 10.00 C ATOM 317 O ASN A 23 -1.048 15.706 4.736 1.00 10.00 O ATOM 318 CB ASN A 23 -0.597 16.918 7.693 1.00 10.00 C ATOM 319 CG ASN A 23 0.811 17.482 7.896 1.00 10.00 C ATOM 320 OD1 ASN A 23 1.438 17.299 8.927 1.00 10.00 O ATOM 321 ND2 ASN A 23 1.270 18.176 6.859 1.00 10.00 N ATOM 0 H ASN A 23 1.047 15.190 8.400 1.00 10.00 H new ATOM 0 HA ASN A 23 -1.514 15.037 7.191 1.00 10.00 H new ATOM 0 HB2 ASN A 23 -1.169 17.583 7.046 1.00 10.00 H new ATOM 0 HB3 ASN A 23 -1.118 16.878 8.650 1.00 10.00 H new ATOM 0 HD21 ASN A 23 2.200 18.594 6.896 1.00 10.00 H new ATOM 0 HD22 ASN A 23 0.692 18.291 6.026 1.00 10.00 H new ATOM 328 N GLN A 24 1.127 15.746 5.353 1.00 10.00 N ATOM 329 CA GLN A 24 1.624 15.905 3.997 1.00 10.00 C ATOM 330 C GLN A 24 1.278 14.674 3.157 1.00 10.00 C ATOM 331 O GLN A 24 1.051 14.784 1.953 1.00 10.00 O ATOM 332 CB GLN A 24 3.132 16.165 3.993 1.00 10.00 C ATOM 333 CG GLN A 24 3.644 16.397 2.570 1.00 10.00 C ATOM 334 CD GLN A 24 3.989 15.071 1.889 1.00 10.00 C ATOM 335 OE1 GLN A 24 4.288 14.075 2.527 1.00 10.00 O ATOM 336 NE2 GLN A 24 3.932 15.113 0.561 1.00 10.00 N ATOM 0 H GLN A 24 1.851 15.703 6.070 1.00 10.00 H new ATOM 0 HA GLN A 24 1.137 16.773 3.552 1.00 10.00 H new ATOM 0 HB2 GLN A 24 3.356 17.035 4.610 1.00 10.00 H new ATOM 0 HB3 GLN A 24 3.652 15.316 4.437 1.00 10.00 H new ATOM 0 HG2 GLN A 24 2.887 16.923 1.988 1.00 10.00 H new ATOM 0 HG3 GLN A 24 4.526 17.037 2.597 1.00 10.00 H new ATOM 0 HE21 GLN A 24 3.675 15.980 0.089 1.00 10.00 H new ATOM 0 HE22 GLN A 24 4.146 14.279 0.015 1.00 10.00 H new ATOM 345 N CYS A 25 1.248 13.531 3.826 1.00 10.00 N ATOM 346 CA CYS A 25 0.938 12.280 3.155 1.00 10.00 C ATOM 347 C CYS A 25 -0.575 12.214 2.937 1.00 10.00 C ATOM 348 O CYS A 25 -1.036 12.005 1.816 1.00 10.00 O ATOM 349 CB CYS A 25 1.454 11.073 3.941 1.00 10.00 C ATOM 350 SG CYS A 25 3.274 10.992 4.115 1.00 10.00 S ATOM 0 H CYS A 25 1.433 13.445 4.825 1.00 10.00 H new ATOM 0 HA CYS A 25 1.445 12.247 2.191 1.00 10.00 H new ATOM 0 HB2 CYS A 25 1.008 11.087 4.936 1.00 10.00 H new ATOM 0 HB3 CYS A 25 1.109 10.163 3.450 1.00 10.00 H new ATOM 355 N LYS A 26 -1.306 12.396 4.027 1.00 10.00 N ATOM 356 CA LYS A 26 -2.683 11.936 4.090 1.00 10.00 C ATOM 357 C LYS A 26 -3.563 12.854 3.240 1.00 10.00 C ATOM 358 O LYS A 26 -4.648 12.461 2.814 1.00 10.00 O ATOM 359 CB LYS A 26 -3.142 11.818 5.544 1.00 10.00 C ATOM 360 CG LYS A 26 -3.343 13.200 6.170 1.00 10.00 C ATOM 361 CD LYS A 26 -4.826 13.576 6.204 1.00 10.00 C ATOM 362 CE LYS A 26 -5.020 14.990 6.754 1.00 10.00 C ATOM 363 NZ LYS A 26 -6.456 15.349 6.766 1.00 10.00 N ATOM 0 H LYS A 26 -0.971 12.856 4.874 1.00 10.00 H new ATOM 0 HA LYS A 26 -2.769 10.934 3.670 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -4.074 11.255 5.590 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -2.403 11.259 6.118 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -2.939 13.207 7.182 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -2.788 13.945 5.600 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -5.244 13.512 5.199 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -5.372 12.863 6.822 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -4.615 15.052 7.764 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -4.466 15.703 6.144 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -6.570 16.312 7.142 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -6.832 15.309 5.797 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -6.976 14.679 7.367 1.00 10.00 H new ATOM 376 N MET A 27 -3.063 14.061 3.018 1.00 10.00 N ATOM 377 CA MET A 27 -3.834 15.074 2.318 1.00 10.00 C ATOM 378 C MET A 27 -4.143 14.636 0.885 1.00 10.00 C ATOM 379 O MET A 27 -5.115 15.094 0.288 1.00 10.00 O ATOM 380 CB MET A 27 -3.050 16.387 2.293 1.00 10.00 C ATOM 381 CG MET A 27 -1.866 16.300 1.328 1.00 10.00 C ATOM 382 SD MET A 27 -0.792 17.708 1.550 1.00 10.00 S ATOM 383 CE MET A 27 0.294 17.494 0.150 1.00 10.00 C ATOM 0 H MET A 27 -2.133 14.360 3.311 1.00 10.00 H new ATOM 0 HA MET A 27 -4.777 15.214 2.846 1.00 10.00 H new ATOM 0 HB2 MET A 27 -3.709 17.202 1.994 1.00 10.00 H new ATOM 0 HB3 MET A 27 -2.690 16.619 3.295 1.00 10.00 H new ATOM 0 HG2 MET A 27 -1.311 15.378 1.502 1.00 10.00 H new ATOM 0 HG3 MET A 27 -2.226 16.266 0.300 1.00 10.00 H new ATOM 0 HE1 MET A 27 1.194 18.091 0.293 1.00 10.00 H new ATOM 0 HE2 MET A 27 0.567 16.443 0.058 1.00 10.00 H new ATOM 0 HE3 MET A 27 -0.215 17.817 -0.758 1.00 10.00 H new ATOM 393 N LYS A 28 -3.296 13.754 0.375 1.00 10.00 N ATOM 394 CA LYS A 28 -3.368 13.370 -1.025 1.00 10.00 C ATOM 395 C LYS A 28 -2.895 11.922 -1.177 1.00 10.00 C ATOM 396 O LYS A 28 -3.658 11.059 -1.608 1.00 10.00 O ATOM 397 CB LYS A 28 -2.595 14.364 -1.894 1.00 10.00 C ATOM 398 CG LYS A 28 -2.499 13.870 -3.339 1.00 10.00 C ATOM 399 CD LYS A 28 -3.887 13.758 -3.973 1.00 10.00 C ATOM 400 CE LYS A 28 -3.787 13.642 -5.495 1.00 10.00 C ATOM 401 NZ LYS A 28 -3.061 12.409 -5.874 1.00 10.00 N ATOM 0 H LYS A 28 -2.556 13.294 0.906 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.399 13.408 -1.378 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.090 15.335 -1.870 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -1.594 14.506 -1.487 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -1.883 14.556 -3.921 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.005 12.899 -3.363 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.405 12.887 -3.572 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.483 14.632 -3.710 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -4.786 13.632 -5.931 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.272 14.513 -5.899 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.133 12.266 -6.902 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.060 12.499 -5.606 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.479 11.594 -5.381 1.00 10.00 H new ATOM 414 N LYS A 29 -1.640 11.702 -0.815 1.00 10.00 N ATOM 415 CA LYS A 29 -0.930 10.515 -1.259 1.00 10.00 C ATOM 416 C LYS A 29 -1.556 9.279 -0.611 1.00 10.00 C ATOM 417 O LYS A 29 -1.860 8.302 -1.294 1.00 10.00 O ATOM 418 CB LYS A 29 0.570 10.656 -0.992 1.00 10.00 C ATOM 419 CG LYS A 29 1.207 11.657 -1.958 1.00 10.00 C ATOM 420 CD LYS A 29 1.509 11.001 -3.307 1.00 10.00 C ATOM 421 CE LYS A 29 2.129 12.007 -4.279 1.00 10.00 C ATOM 422 NZ LYS A 29 3.582 12.138 -4.032 1.00 10.00 N ATOM 0 H LYS A 29 -1.096 12.326 -0.219 1.00 10.00 H new ATOM 0 HA LYS A 29 -1.028 10.394 -2.338 1.00 10.00 H new ATOM 0 HB2 LYS A 29 0.731 10.983 0.035 1.00 10.00 H new ATOM 0 HB3 LYS A 29 1.055 9.685 -1.097 1.00 10.00 H new ATOM 0 HG2 LYS A 29 0.537 12.504 -2.104 1.00 10.00 H new ATOM 0 HG3 LYS A 29 2.128 12.049 -1.526 1.00 10.00 H new ATOM 0 HD2 LYS A 29 2.190 10.162 -3.163 1.00 10.00 H new ATOM 0 HD3 LYS A 29 0.591 10.597 -3.733 1.00 10.00 H new ATOM 0 HE2 LYS A 29 1.956 11.684 -5.306 1.00 10.00 H new ATOM 0 HE3 LYS A 29 1.646 12.977 -4.165 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 3.927 13.024 -4.453 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 3.760 12.148 -3.007 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 4.081 11.333 -4.462 1.00 10.00 H new ATOM 435 N ALA A 30 -1.732 9.362 0.700 1.00 10.00 N ATOM 436 CA ALA A 30 -1.767 8.168 1.527 1.00 10.00 C ATOM 437 C ALA A 30 -2.945 8.261 2.500 1.00 10.00 C ATOM 438 O ALA A 30 -3.729 9.206 2.441 1.00 10.00 O ATOM 439 CB ALA A 30 -0.427 8.007 2.248 1.00 10.00 C ATOM 0 H ALA A 30 -1.852 10.238 1.209 1.00 10.00 H new ATOM 0 HA ALA A 30 -1.916 7.280 0.913 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -0.453 7.111 2.869 1.00 10.00 H new ATOM 0 HB2 ALA A 30 0.373 7.916 1.513 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -0.245 8.879 2.877 1.00 10.00 H new ATOM 445 N SER A 31 -3.031 7.267 3.371 1.00 10.00 N ATOM 446 CA SER A 31 -3.956 7.331 4.490 1.00 10.00 C ATOM 447 C SER A 31 -3.289 8.019 5.682 1.00 10.00 C ATOM 448 O SER A 31 -3.944 8.739 6.434 1.00 10.00 O ATOM 449 CB SER A 31 -4.439 5.934 4.885 1.00 10.00 C ATOM 450 OG SER A 31 -5.330 5.972 5.997 1.00 10.00 O ATOM 0 H SER A 31 -2.476 6.413 3.325 1.00 10.00 H new ATOM 0 HA SER A 31 -4.825 7.913 4.183 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.939 5.470 4.035 1.00 10.00 H new ATOM 0 HB3 SER A 31 -3.580 5.309 5.130 1.00 10.00 H new ATOM 0 HG SER A 31 -5.617 5.061 6.217 1.00 10.00 H new ATOM 456 N GLY A 32 -1.994 7.773 5.818 1.00 10.00 N ATOM 457 CA GLY A 32 -1.223 8.390 6.885 1.00 10.00 C ATOM 458 C GLY A 32 0.259 8.470 6.514 1.00 10.00 C ATOM 459 O GLY A 32 0.630 8.221 5.368 1.00 10.00 O ATOM 0 H GLY A 32 -1.459 7.155 5.207 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -1.606 9.391 7.084 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -1.341 7.815 7.803 1.00 10.00 H new ATOM 463 N GLY A 33 1.066 8.818 7.505 1.00 10.00 N ATOM 464 CA GLY A 33 2.509 8.786 7.341 1.00 10.00 C ATOM 465 C GLY A 33 3.217 9.161 8.645 1.00 10.00 C ATOM 466 O GLY A 33 2.583 9.634 9.586 1.00 10.00 O ATOM 0 H GLY A 33 0.748 9.124 8.425 1.00 10.00 H new ATOM 0 HA2 GLY A 33 2.821 7.790 7.027 1.00 10.00 H new ATOM 0 HA3 GLY A 33 2.804 9.476 6.551 1.00 10.00 H new ATOM 470 N HIS A 34 4.523 8.935 8.658 1.00 10.00 N ATOM 471 CA HIS A 34 5.354 9.411 9.750 1.00 10.00 C ATOM 472 C HIS A 34 6.739 9.782 9.217 1.00 10.00 C ATOM 473 O HIS A 34 7.205 9.208 8.234 1.00 10.00 O ATOM 474 CB HIS A 34 5.410 8.380 10.880 1.00 10.00 C ATOM 475 CG HIS A 34 5.992 7.049 10.468 1.00 10.00 C ATOM 476 ND1 HIS A 34 7.353 6.835 10.335 1.00 10.00 N ATOM 477 CD2 HIS A 34 5.384 5.867 10.162 1.00 10.00 C ATOM 478 CE1 HIS A 34 7.544 5.577 9.965 1.00 10.00 C ATOM 479 NE2 HIS A 34 6.323 4.979 9.858 1.00 10.00 N ATOM 0 H HIS A 34 5.026 8.428 7.929 1.00 10.00 H new ATOM 0 HA HIS A 34 4.915 10.311 10.180 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.003 8.786 11.700 1.00 10.00 H new ATOM 0 HB3 HIS A 34 4.402 8.221 11.264 1.00 10.00 H new ATOM 0 HD2 HIS A 34 4.320 5.684 10.166 1.00 10.00 H new ATOM 0 HE1 HIS A 34 8.499 5.108 9.781 1.00 10.00 H new ATOM 0 HE2 HIS A 34 6.158 4.009 9.589 1.00 10.00 H new ATOM 487 N CYS A 35 7.359 10.741 9.889 1.00 10.00 N ATOM 488 CA CYS A 35 8.644 11.256 9.446 1.00 10.00 C ATOM 489 C CYS A 35 9.739 10.314 9.951 1.00 10.00 C ATOM 490 O CYS A 35 10.279 10.512 11.038 1.00 10.00 O ATOM 491 CB CYS A 35 8.868 12.695 9.913 1.00 10.00 C ATOM 492 SG CYS A 35 10.428 13.456 9.333 1.00 10.00 S ATOM 0 H CYS A 35 6.995 11.175 10.737 1.00 10.00 H new ATOM 0 HA CYS A 35 8.669 11.290 8.357 1.00 10.00 H new ATOM 0 HB2 CYS A 35 8.033 13.307 9.572 1.00 10.00 H new ATOM 0 HB3 CYS A 35 8.854 12.715 11.003 1.00 10.00 H new ATOM 497 N TYR A 36 10.033 9.310 9.138 1.00 10.00 N ATOM 498 CA TYR A 36 11.201 8.478 9.370 1.00 10.00 C ATOM 499 C TYR A 36 12.486 9.222 9.002 1.00 10.00 C ATOM 500 O TYR A 36 12.461 10.150 8.195 1.00 10.00 O ATOM 501 CB TYR A 36 11.046 7.267 8.447 1.00 10.00 C ATOM 502 CG TYR A 36 12.066 6.156 8.701 1.00 10.00 C ATOM 503 CD1 TYR A 36 12.014 5.426 9.871 1.00 10.00 C ATOM 504 CD2 TYR A 36 13.039 5.884 7.761 1.00 10.00 C ATOM 505 CE1 TYR A 36 12.975 4.380 10.111 1.00 10.00 C ATOM 506 CE2 TYR A 36 13.999 4.838 8.000 1.00 10.00 C ATOM 507 CZ TYR A 36 13.920 4.138 9.163 1.00 10.00 C ATOM 508 OH TYR A 36 14.827 3.150 9.390 1.00 10.00 O ATOM 0 H TYR A 36 9.483 9.054 8.318 1.00 10.00 H new ATOM 0 HA TYR A 36 11.269 8.197 10.421 1.00 10.00 H new ATOM 0 HB2 TYR A 36 10.042 6.859 8.566 1.00 10.00 H new ATOM 0 HB3 TYR A 36 11.135 7.598 7.412 1.00 10.00 H new ATOM 0 HD1 TYR A 36 11.253 5.639 10.607 1.00 10.00 H new ATOM 0 HD2 TYR A 36 13.080 6.456 6.846 1.00 10.00 H new ATOM 0 HE1 TYR A 36 12.946 3.801 11.022 1.00 10.00 H new ATOM 0 HE2 TYR A 36 14.765 4.614 7.272 1.00 10.00 H new ATOM 0 HH TYR A 36 15.441 3.088 8.628 1.00 10.00 H new ATOM 518 N ALA A 37 13.579 8.788 9.613 1.00 10.00 N ATOM 519 CA ALA A 37 14.780 9.604 9.668 1.00 10.00 C ATOM 520 C ALA A 37 15.225 9.947 8.245 1.00 10.00 C ATOM 521 O ALA A 37 15.698 11.052 7.988 1.00 10.00 O ATOM 522 CB ALA A 37 15.864 8.866 10.456 1.00 10.00 C ATOM 0 H ALA A 37 13.658 7.882 10.074 1.00 10.00 H new ATOM 0 HA ALA A 37 14.582 10.542 10.186 1.00 10.00 H new ATOM 0 HB1 ALA A 37 16.765 9.478 10.497 1.00 10.00 H new ATOM 0 HB2 ALA A 37 15.510 8.673 11.469 1.00 10.00 H new ATOM 0 HB3 ALA A 37 16.091 7.920 9.964 1.00 10.00 H new ATOM 528 N MET A 38 15.057 8.977 7.357 1.00 10.00 N ATOM 529 CA MET A 38 15.578 9.101 6.007 1.00 10.00 C ATOM 530 C MET A 38 14.696 10.021 5.160 1.00 10.00 C ATOM 531 O MET A 38 15.200 10.794 4.348 1.00 10.00 O ATOM 532 CB MET A 38 15.645 7.717 5.357 1.00 10.00 C ATOM 533 CG MET A 38 16.635 6.812 6.094 1.00 10.00 C ATOM 534 SD MET A 38 18.306 7.366 5.798 1.00 10.00 S ATOM 535 CE MET A 38 18.667 6.470 4.297 1.00 10.00 C ATOM 0 H MET A 38 14.567 8.102 7.547 1.00 10.00 H new ATOM 0 HA MET A 38 16.576 9.536 6.061 1.00 10.00 H new ATOM 0 HB2 MET A 38 14.655 7.260 5.363 1.00 10.00 H new ATOM 0 HB3 MET A 38 15.944 7.816 4.314 1.00 10.00 H new ATOM 0 HG2 MET A 38 16.424 6.823 7.163 1.00 10.00 H new ATOM 0 HG3 MET A 38 16.519 5.782 5.757 1.00 10.00 H new ATOM 0 HE1 MET A 38 19.681 6.702 3.970 1.00 10.00 H new ATOM 0 HE2 MET A 38 18.581 5.399 4.483 1.00 10.00 H new ATOM 0 HE3 MET A 38 17.960 6.761 3.520 1.00 10.00 H new ATOM 545 N SER A 39 13.395 9.906 5.380 1.00 10.00 N ATOM 546 CA SER A 39 12.430 10.599 4.543 1.00 10.00 C ATOM 547 C SER A 39 11.015 10.374 5.079 1.00 10.00 C ATOM 548 O SER A 39 10.792 9.485 5.899 1.00 10.00 O ATOM 549 CB SER A 39 12.527 10.133 3.089 1.00 10.00 C ATOM 550 OG SER A 39 13.429 10.935 2.331 1.00 10.00 O ATOM 0 H SER A 39 12.986 9.343 6.126 1.00 10.00 H new ATOM 0 HA SER A 39 12.657 11.665 4.571 1.00 10.00 H new ATOM 0 HB2 SER A 39 12.855 9.094 3.062 1.00 10.00 H new ATOM 0 HB3 SER A 39 11.539 10.167 2.631 1.00 10.00 H new ATOM 0 HG SER A 39 14.251 11.078 2.845 1.00 10.00 H new ATOM 556 N CYS A 40 10.095 11.195 4.593 1.00 10.00 N ATOM 557 CA CYS A 40 8.697 11.053 4.960 1.00 10.00 C ATOM 558 C CYS A 40 8.216 9.676 4.497 1.00 10.00 C ATOM 559 O CYS A 40 8.037 9.447 3.302 1.00 10.00 O ATOM 560 CB CYS A 40 7.842 12.181 4.378 1.00 10.00 C ATOM 561 SG CYS A 40 6.035 11.929 4.527 1.00 10.00 S ATOM 0 H CYS A 40 10.291 11.961 3.948 1.00 10.00 H new ATOM 0 HA CYS A 40 8.593 11.128 6.042 1.00 10.00 H new ATOM 0 HB2 CYS A 40 8.107 13.113 4.877 1.00 10.00 H new ATOM 0 HB3 CYS A 40 8.092 12.301 3.324 1.00 10.00 H new ATOM 566 N TYR A 41 8.022 8.795 5.467 1.00 10.00 N ATOM 567 CA TYR A 41 7.452 7.488 5.189 1.00 10.00 C ATOM 568 C TYR A 41 5.923 7.543 5.198 1.00 10.00 C ATOM 569 O TYR A 41 5.308 7.620 6.261 1.00 10.00 O ATOM 570 CB TYR A 41 7.925 6.572 6.319 1.00 10.00 C ATOM 571 CG TYR A 41 7.550 5.101 6.127 1.00 10.00 C ATOM 572 CD1 TYR A 41 8.402 4.255 5.447 1.00 10.00 C ATOM 573 CD2 TYR A 41 6.359 4.621 6.633 1.00 10.00 C ATOM 574 CE1 TYR A 41 8.049 2.871 5.265 1.00 10.00 C ATOM 575 CE2 TYR A 41 6.006 3.237 6.452 1.00 10.00 C ATOM 576 CZ TYR A 41 6.869 2.430 5.777 1.00 10.00 C ATOM 577 OH TYR A 41 6.535 1.122 5.606 1.00 10.00 O ATOM 0 H TYR A 41 8.250 8.961 6.447 1.00 10.00 H new ATOM 0 HA TYR A 41 7.765 7.134 4.206 1.00 10.00 H new ATOM 0 HB2 TYR A 41 9.008 6.651 6.408 1.00 10.00 H new ATOM 0 HB3 TYR A 41 7.502 6.924 7.260 1.00 10.00 H new ATOM 0 HD1 TYR A 41 9.334 4.631 5.051 1.00 10.00 H new ATOM 0 HD2 TYR A 41 5.692 5.283 7.165 1.00 10.00 H new ATOM 0 HE1 TYR A 41 8.706 2.199 4.734 1.00 10.00 H new ATOM 0 HE2 TYR A 41 5.077 2.848 6.843 1.00 10.00 H new ATOM 0 HH TYR A 41 5.666 0.949 6.025 1.00 10.00 H new ATOM 587 N CYS A 42 5.354 7.500 4.003 1.00 10.00 N ATOM 588 CA CYS A 42 3.911 7.599 3.857 1.00 10.00 C ATOM 589 C CYS A 42 3.324 6.188 3.923 1.00 10.00 C ATOM 590 O CYS A 42 4.004 5.213 3.607 1.00 10.00 O ATOM 591 CB CYS A 42 3.522 8.319 2.565 1.00 10.00 C ATOM 592 SG CYS A 42 3.981 10.090 2.504 1.00 10.00 S ATOM 0 H CYS A 42 5.865 7.398 3.126 1.00 10.00 H new ATOM 0 HA CYS A 42 3.501 8.200 4.668 1.00 10.00 H new ATOM 0 HB2 CYS A 42 3.992 7.807 1.725 1.00 10.00 H new ATOM 0 HB3 CYS A 42 2.444 8.233 2.428 1.00 10.00 H new ATOM 597 N GLU A 43 2.067 6.124 4.337 1.00 10.00 N ATOM 598 CA GLU A 43 1.482 4.863 4.762 1.00 10.00 C ATOM 599 C GLU A 43 0.080 4.702 4.172 1.00 10.00 C ATOM 600 O GLU A 43 -0.794 5.536 4.403 1.00 10.00 O ATOM 601 CB GLU A 43 1.450 4.762 6.289 1.00 10.00 C ATOM 602 CG GLU A 43 1.636 3.313 6.746 1.00 10.00 C ATOM 603 CD GLU A 43 1.574 3.208 8.271 1.00 10.00 C ATOM 604 OE1 GLU A 43 0.554 2.769 8.821 1.00 10.00 O ATOM 605 OE2 GLU A 43 2.637 3.600 8.888 1.00 10.00 O ATOM 0 H GLU A 43 1.437 6.925 4.387 1.00 10.00 H new ATOM 0 HA GLU A 43 2.106 4.051 4.389 1.00 10.00 H new ATOM 0 HB2 GLU A 43 2.236 5.385 6.715 1.00 10.00 H new ATOM 0 HB3 GLU A 43 0.501 5.146 6.663 1.00 10.00 H new ATOM 0 HG2 GLU A 43 0.863 2.686 6.303 1.00 10.00 H new ATOM 0 HG3 GLU A 43 2.595 2.936 6.390 1.00 10.00 H new ATOM 613 N GLY A 44 -0.091 3.624 3.421 1.00 10.00 N ATOM 614 CA GLY A 44 -1.389 3.309 2.849 1.00 10.00 C ATOM 615 C GLY A 44 -1.648 4.136 1.589 1.00 10.00 C ATOM 616 O GLY A 44 -2.545 4.977 1.567 1.00 10.00 O ATOM 0 H GLY A 44 0.648 2.958 3.195 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.436 2.247 2.607 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.171 3.504 3.583 1.00 10.00 H new ATOM 620 N LEU A 45 -0.846 3.868 0.568 1.00 10.00 N ATOM 621 CA LEU A 45 -1.027 4.520 -0.717 1.00 10.00 C ATOM 622 C LEU A 45 -1.844 3.609 -1.636 1.00 10.00 C ATOM 623 O LEU A 45 -1.882 2.396 -1.439 1.00 10.00 O ATOM 624 CB LEU A 45 0.324 4.933 -1.303 1.00 10.00 C ATOM 625 CG LEU A 45 1.099 5.994 -0.519 1.00 10.00 C ATOM 626 CD1 LEU A 45 1.966 5.351 0.565 1.00 10.00 C ATOM 627 CD2 LEU A 45 1.920 6.880 -1.459 1.00 10.00 C ATOM 0 H LEU A 45 -0.069 3.208 0.606 1.00 10.00 H new ATOM 0 HA LEU A 45 -1.593 5.444 -0.599 1.00 10.00 H new ATOM 0 HB2 LEU A 45 0.948 4.044 -1.387 1.00 10.00 H new ATOM 0 HB3 LEU A 45 0.161 5.304 -2.315 1.00 10.00 H new ATOM 0 HG LEU A 45 0.379 6.639 -0.015 1.00 10.00 H new ATOM 0 HD11 LEU A 45 2.506 6.127 1.107 1.00 10.00 H new ATOM 0 HD12 LEU A 45 1.332 4.799 1.258 1.00 10.00 H new ATOM 0 HD13 LEU A 45 2.679 4.668 0.103 1.00 10.00 H new ATOM 0 HD21 LEU A 45 2.461 7.625 -0.876 1.00 10.00 H new ATOM 0 HD22 LEU A 45 2.631 6.265 -2.011 1.00 10.00 H new ATOM 0 HD23 LEU A 45 1.254 7.382 -2.161 1.00 10.00 H new ATOM 639 N PRO A 46 -2.493 4.246 -2.647 1.00 10.00 N ATOM 640 CA PRO A 46 -2.934 3.522 -3.827 1.00 10.00 C ATOM 641 C PRO A 46 -1.754 3.197 -4.744 1.00 10.00 C ATOM 642 O PRO A 46 -0.714 3.850 -4.678 1.00 10.00 O ATOM 643 CB PRO A 46 -3.964 4.427 -4.483 1.00 10.00 C ATOM 644 CG PRO A 46 -3.724 5.815 -3.910 1.00 10.00 C ATOM 645 CD PRO A 46 -2.824 5.667 -2.694 1.00 10.00 C ATOM 0 HA PRO A 46 -3.371 2.553 -3.586 1.00 10.00 H new ATOM 0 HB2 PRO A 46 -3.850 4.427 -5.567 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -4.977 4.086 -4.269 1.00 10.00 H new ATOM 0 HG2 PRO A 46 -3.257 6.460 -4.654 1.00 10.00 H new ATOM 0 HG3 PRO A 46 -4.669 6.282 -3.631 1.00 10.00 H new ATOM 0 HD2 PRO A 46 -1.927 6.279 -2.789 1.00 10.00 H new ATOM 0 HD3 PRO A 46 -3.333 5.985 -1.784 1.00 10.00 H new ATOM 653 N GLU A 47 -1.954 2.187 -5.579 1.00 10.00 N ATOM 654 CA GLU A 47 -0.839 1.530 -6.239 1.00 10.00 C ATOM 655 C GLU A 47 -0.414 2.322 -7.477 1.00 10.00 C ATOM 656 O GLU A 47 0.549 1.959 -8.150 1.00 10.00 O ATOM 657 CB GLU A 47 -1.193 0.087 -6.607 1.00 10.00 C ATOM 658 CG GLU A 47 -1.420 -0.759 -5.352 1.00 10.00 C ATOM 659 CD GLU A 47 -1.781 -2.199 -5.720 1.00 10.00 C ATOM 660 OE1 GLU A 47 -2.960 -2.500 -5.960 1.00 10.00 O ATOM 661 OE2 GLU A 47 -0.786 -3.019 -5.753 1.00 10.00 O ATOM 0 H GLU A 47 -2.872 1.808 -5.813 1.00 10.00 H new ATOM 0 HA GLU A 47 0.001 1.498 -5.545 1.00 10.00 H new ATOM 0 HB2 GLU A 47 -2.091 0.075 -7.225 1.00 10.00 H new ATOM 0 HB3 GLU A 47 -0.390 -0.348 -7.203 1.00 10.00 H new ATOM 0 HG2 GLU A 47 -0.520 -0.752 -4.737 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -2.219 -0.321 -4.754 1.00 10.00 H new ATOM 669 N ASN A 48 -1.152 3.391 -7.739 1.00 10.00 N ATOM 670 CA ASN A 48 -0.803 4.295 -8.821 1.00 10.00 C ATOM 671 C ASN A 48 0.408 5.134 -8.408 1.00 10.00 C ATOM 672 O ASN A 48 1.169 5.593 -9.258 1.00 10.00 O ATOM 673 CB ASN A 48 -1.956 5.251 -9.135 1.00 10.00 C ATOM 674 CG ASN A 48 -2.274 6.139 -7.931 1.00 10.00 C ATOM 675 OD1 ASN A 48 -2.137 5.747 -6.783 1.00 10.00 O ATOM 676 ND2 ASN A 48 -2.705 7.355 -8.254 1.00 10.00 N ATOM 0 H ASN A 48 -1.991 3.651 -7.220 1.00 10.00 H new ATOM 0 HA ASN A 48 -0.583 3.695 -9.704 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -1.695 5.873 -9.991 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -2.841 4.680 -9.414 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.943 8.023 -7.521 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -2.797 7.620 -9.235 1.00 10.00 H new ATOM 683 N ALA A 49 0.548 5.309 -7.102 1.00 10.00 N ATOM 684 CA ALA A 49 1.634 6.114 -6.567 1.00 10.00 C ATOM 685 C ALA A 49 2.880 5.240 -6.408 1.00 10.00 C ATOM 686 O ALA A 49 2.798 4.123 -5.899 1.00 10.00 O ATOM 687 CB ALA A 49 1.195 6.750 -5.247 1.00 10.00 C ATOM 0 H ALA A 49 -0.072 4.907 -6.399 1.00 10.00 H new ATOM 0 HA ALA A 49 1.885 6.924 -7.251 1.00 10.00 H new ATOM 0 HB1 ALA A 49 2.009 7.354 -4.846 1.00 10.00 H new ATOM 0 HB2 ALA A 49 0.325 7.383 -5.420 1.00 10.00 H new ATOM 0 HB3 ALA A 49 0.938 5.967 -4.534 1.00 10.00 H new ATOM 693 N LYS A 50 4.004 5.782 -6.853 1.00 10.00 N ATOM 694 CA LYS A 50 5.248 5.030 -6.855 1.00 10.00 C ATOM 695 C LYS A 50 6.066 5.404 -5.617 1.00 10.00 C ATOM 696 O LYS A 50 6.278 6.583 -5.342 1.00 10.00 O ATOM 697 CB LYS A 50 5.997 5.237 -8.173 1.00 10.00 C ATOM 698 CG LYS A 50 7.001 4.109 -8.415 1.00 10.00 C ATOM 699 CD LYS A 50 8.362 4.444 -7.801 1.00 10.00 C ATOM 700 CE LYS A 50 9.333 3.271 -7.945 1.00 10.00 C ATOM 701 NZ LYS A 50 10.436 3.387 -6.965 1.00 10.00 N ATOM 0 H LYS A 50 4.080 6.733 -7.215 1.00 10.00 H new ATOM 0 HA LYS A 50 5.047 3.960 -6.794 1.00 10.00 H new ATOM 0 HB2 LYS A 50 5.285 5.278 -8.997 1.00 10.00 H new ATOM 0 HB3 LYS A 50 6.518 6.194 -8.153 1.00 10.00 H new ATOM 0 HG2 LYS A 50 6.622 3.182 -7.985 1.00 10.00 H new ATOM 0 HG3 LYS A 50 7.113 3.941 -9.486 1.00 10.00 H new ATOM 0 HD2 LYS A 50 8.777 5.326 -8.288 1.00 10.00 H new ATOM 0 HD3 LYS A 50 8.238 4.691 -6.747 1.00 10.00 H new ATOM 0 HE2 LYS A 50 8.802 2.331 -7.794 1.00 10.00 H new ATOM 0 HE3 LYS A 50 9.738 3.249 -8.957 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 11.147 2.651 -7.154 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 10.878 4.325 -7.049 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 10.060 3.266 -6.003 1.00 10.00 H new ATOM 714 N VAL A 51 6.502 4.376 -4.904 1.00 10.00 N ATOM 715 CA VAL A 51 7.233 4.582 -3.664 1.00 10.00 C ATOM 716 C VAL A 51 8.577 3.855 -3.743 1.00 10.00 C ATOM 717 O VAL A 51 8.766 2.982 -4.588 1.00 10.00 O ATOM 718 CB VAL A 51 6.381 4.135 -2.475 1.00 10.00 C ATOM 719 CG1 VAL A 51 4.937 4.619 -2.622 1.00 10.00 C ATOM 720 CG2 VAL A 51 6.435 2.616 -2.301 1.00 10.00 C ATOM 0 H VAL A 51 6.364 3.399 -5.161 1.00 10.00 H new ATOM 0 HA VAL A 51 7.444 5.641 -3.516 1.00 10.00 H new ATOM 0 HB VAL A 51 6.797 4.590 -1.576 1.00 10.00 H new ATOM 0 HG11 VAL A 51 4.353 4.288 -1.763 1.00 10.00 H new ATOM 0 HG12 VAL A 51 4.922 5.708 -2.673 1.00 10.00 H new ATOM 0 HG13 VAL A 51 4.506 4.207 -3.535 1.00 10.00 H new ATOM 0 HG21 VAL A 51 5.821 2.325 -1.449 1.00 10.00 H new ATOM 0 HG22 VAL A 51 6.057 2.133 -3.202 1.00 10.00 H new ATOM 0 HG23 VAL A 51 7.466 2.306 -2.128 1.00 10.00 H new ATOM 730 N SER A 52 9.476 4.244 -2.851 1.00 10.00 N ATOM 731 CA SER A 52 10.601 3.392 -2.503 1.00 10.00 C ATOM 732 C SER A 52 10.470 2.919 -1.054 1.00 10.00 C ATOM 733 O SER A 52 9.812 3.568 -0.242 1.00 10.00 O ATOM 734 CB SER A 52 11.929 4.124 -2.704 1.00 10.00 C ATOM 735 OG SER A 52 13.017 3.431 -2.099 1.00 10.00 O ATOM 0 H SER A 52 9.449 5.137 -2.359 1.00 10.00 H new ATOM 0 HA SER A 52 10.591 2.525 -3.164 1.00 10.00 H new ATOM 0 HB2 SER A 52 12.121 4.240 -3.771 1.00 10.00 H new ATOM 0 HB3 SER A 52 11.858 5.126 -2.282 1.00 10.00 H new ATOM 0 HG SER A 52 13.398 2.796 -2.741 1.00 10.00 H new ATOM 741 N ASP A 53 11.106 1.791 -0.773 1.00 10.00 N ATOM 742 CA ASP A 53 11.332 1.382 0.603 1.00 10.00 C ATOM 743 C ASP A 53 12.800 0.991 0.780 1.00 10.00 C ATOM 744 O ASP A 53 13.127 0.155 1.621 1.00 10.00 O ATOM 745 CB ASP A 53 10.473 0.169 0.964 1.00 10.00 C ATOM 746 CG ASP A 53 10.725 -1.079 0.115 1.00 10.00 C ATOM 747 OD1 ASP A 53 11.225 -0.991 -1.016 1.00 10.00 O ATOM 748 OD2 ASP A 53 10.381 -2.193 0.667 1.00 10.00 O ATOM 0 H ASP A 53 11.472 1.148 -1.475 1.00 10.00 H new ATOM 0 HA ASP A 53 11.068 2.218 1.251 1.00 10.00 H new ATOM 0 HB2 ASP A 53 10.646 -0.081 2.011 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.423 0.446 0.872 1.00 10.00 H new ATOM 754 N SER A 54 13.647 1.614 -0.027 1.00 10.00 N ATOM 755 CA SER A 54 15.004 1.127 -0.209 1.00 10.00 C ATOM 756 C SER A 54 16.007 2.219 0.168 1.00 10.00 C ATOM 757 O SER A 54 16.957 2.475 -0.570 1.00 10.00 O ATOM 758 CB SER A 54 15.235 0.667 -1.649 1.00 10.00 C ATOM 759 OG SER A 54 14.755 1.617 -2.597 1.00 10.00 O ATOM 0 H SER A 54 13.419 2.452 -0.562 1.00 10.00 H new ATOM 0 HA SER A 54 15.150 0.268 0.446 1.00 10.00 H new ATOM 0 HB2 SER A 54 16.300 0.501 -1.810 1.00 10.00 H new ATOM 0 HB3 SER A 54 14.736 -0.289 -1.809 1.00 10.00 H new ATOM 0 HG SER A 54 15.502 2.162 -2.921 1.00 10.00 H new ATOM 765 N ALA A 55 15.761 2.834 1.316 1.00 10.00 N ATOM 766 CA ALA A 55 16.789 3.616 1.981 1.00 10.00 C ATOM 767 C ALA A 55 17.312 4.685 1.019 1.00 10.00 C ATOM 768 O ALA A 55 18.521 4.830 0.845 1.00 10.00 O ATOM 769 CB ALA A 55 17.897 2.686 2.478 1.00 10.00 C ATOM 0 H ALA A 55 14.865 2.806 1.802 1.00 10.00 H new ATOM 0 HA ALA A 55 16.379 4.128 2.852 1.00 10.00 H new ATOM 0 HB1 ALA A 55 18.668 3.273 2.977 1.00 10.00 H new ATOM 0 HB2 ALA A 55 17.479 1.965 3.180 1.00 10.00 H new ATOM 0 HB3 ALA A 55 18.335 2.157 1.632 1.00 10.00 H new ATOM 775 N THR A 56 16.376 5.406 0.420 1.00 10.00 N ATOM 776 CA THR A 56 16.724 6.564 -0.386 1.00 10.00 C ATOM 777 C THR A 56 17.708 6.169 -1.489 1.00 10.00 C ATOM 778 O THR A 56 18.816 6.699 -1.557 1.00 10.00 O ATOM 779 CB THR A 56 17.265 7.646 0.551 1.00 10.00 C ATOM 780 OG1 THR A 56 16.236 7.809 1.523 1.00 10.00 O ATOM 781 CG2 THR A 56 17.356 9.015 -0.127 1.00 10.00 C ATOM 0 H THR A 56 15.376 5.211 0.477 1.00 10.00 H new ATOM 0 HA THR A 56 15.851 6.965 -0.900 1.00 10.00 H new ATOM 0 HB THR A 56 18.251 7.353 0.913 1.00 10.00 H new ATOM 0 HG1 THR A 56 16.505 8.492 2.172 1.00 10.00 H new ATOM 0 HG21 THR A 56 17.745 9.747 0.581 1.00 10.00 H new ATOM 0 HG22 THR A 56 18.023 8.952 -0.987 1.00 10.00 H new ATOM 0 HG23 THR A 56 16.365 9.323 -0.459 1.00 10.00 H new ATOM 789 N ASN A 57 17.267 5.241 -2.326 1.00 10.00 N ATOM 790 CA ASN A 57 17.951 4.980 -3.581 1.00 10.00 C ATOM 791 C ASN A 57 17.504 6.005 -4.625 1.00 10.00 C ATOM 792 O ASN A 57 18.170 6.193 -5.641 1.00 10.00 O ATOM 793 CB ASN A 57 17.613 3.586 -4.113 1.00 10.00 C ATOM 794 CG ASN A 57 16.365 3.624 -4.996 1.00 10.00 C ATOM 795 OD1 ASN A 57 15.221 3.626 -4.317 1.00 10.00 O flip ATOM 796 ND2 ASN A 57 16.435 3.649 -6.214 1.00 10.00 N flip ATOM 0 H ASN A 57 16.445 4.661 -2.160 1.00 10.00 H new ATOM 0 HA ASN A 57 19.024 5.047 -3.400 1.00 10.00 H new ATOM 0 HB2 ASN A 57 18.456 3.197 -4.685 1.00 10.00 H new ATOM 0 HB3 ASN A 57 17.452 2.904 -3.278 1.00 10.00 H new ATOM 0 HD21 ASN A 57 17.346 3.646 -6.673 1.00 10.00 H new ATOM 0 HD22 ASN A 57 15.582 3.673 -6.773 1.00 10.00 H new ATOM 803 N ILE A 58 16.378 6.641 -4.337 1.00 10.00 N ATOM 804 CA ILE A 58 15.995 7.845 -5.055 1.00 10.00 C ATOM 805 C ILE A 58 16.082 9.046 -4.110 1.00 10.00 C ATOM 806 O ILE A 58 15.939 8.898 -2.897 1.00 10.00 O ATOM 807 CB ILE A 58 14.619 7.670 -5.700 1.00 10.00 C ATOM 808 CG1 ILE A 58 14.652 6.582 -6.775 1.00 10.00 C ATOM 809 CG2 ILE A 58 14.096 9.000 -6.247 1.00 10.00 C ATOM 810 CD1 ILE A 58 13.271 5.950 -6.959 1.00 10.00 C ATOM 0 H ILE A 58 15.719 6.346 -3.617 1.00 10.00 H new ATOM 0 HA ILE A 58 16.685 8.034 -5.877 1.00 10.00 H new ATOM 0 HB ILE A 58 13.921 7.342 -4.930 1.00 10.00 H new ATOM 0 HG12 ILE A 58 14.989 7.009 -7.719 1.00 10.00 H new ATOM 0 HG13 ILE A 58 15.373 5.813 -6.497 1.00 10.00 H new ATOM 0 HG21 ILE A 58 13.116 8.847 -6.700 1.00 10.00 H new ATOM 0 HG22 ILE A 58 14.011 9.720 -5.433 1.00 10.00 H new ATOM 0 HG23 ILE A 58 14.788 9.382 -6.998 1.00 10.00 H new ATOM 0 HD11 ILE A 58 13.323 5.180 -7.729 1.00 10.00 H new ATOM 0 HD12 ILE A 58 12.948 5.502 -6.019 1.00 10.00 H new ATOM 0 HD13 ILE A 58 12.557 6.717 -7.260 1.00 10.00 H new