USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 403 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 84:sc= 2.2 USER MOD Set 1.2: A 54 SER OG : rot 101:sc= 1.45 USER MOD Set 1.3: A 57 ASN :FLIP amide:sc= -0.32 F(o=2.6,f=3.3) USER MOD Set 2.1: A 39 SER OG : rot -14:sc= 0.0533 USER MOD Set 2.2: A 56 THR OG1 : rot -146:sc= -0.0205 USER MOD Set 3.1: A 18 ASN : amide:sc= 0.781 K(o=1.7,f=-4.5!) USER MOD Set 3.2: A 34 HIS : no HE2:sc= 0.901 K(o=1.7,f=-2.1!) USER MOD Set 4.1: A 8 SER OG : rot 160:sc= 1.02 USER MOD Set 4.2: A 29 LYS NZ :NH3+ -176:sc= 2.12 (180deg=0.83) USER MOD Single : A 1 LYS N :NH3+ -155:sc= 0.82 (180deg=0.459) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot -42:sc= 0.188 USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= 0.00792 (180deg=-0.466) USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00498) USER MOD Single : A 14 SER OG : rot 43:sc= 0.734 USER MOD Single : A 19 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.3) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.87 K(o=-1.9,f=-9.3!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -30:sc= 0.0827 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.821 K(o=-0.82,f=-7.6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 0.318 1.409 1.00 10.00 C ATOM 4 O LYS A 1 1.509 1.278 2.031 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.949 -1.074 1.00 10.00 C ATOM 6 CG LYS A 1 3.518 0.927 -1.112 1.00 10.00 C ATOM 7 CD LYS A 1 4.052 1.807 -2.244 1.00 10.00 C ATOM 8 CE LYS A 1 4.062 1.046 -3.571 1.00 10.00 C ATOM 9 NZ LYS A 1 5.270 0.196 -3.673 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.600 -0.775 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.372 0.907 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.971 -0.132 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 -0.988 -0.261 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.593 0.662 -2.048 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.641 1.963 -0.875 1.00 10.00 H new ATOM 0 HG2 LYS A 1 3.914 1.276 -0.158 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.867 -0.097 -1.247 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.434 2.700 -2.337 1.00 10.00 H new ATOM 0 HD3 LYS A 1 5.062 2.141 -2.005 1.00 10.00 H new ATOM 0 HE2 LYS A 1 3.168 0.428 -3.649 1.00 10.00 H new ATOM 0 HE3 LYS A 1 4.035 1.751 -4.402 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 5.261 -0.313 -4.580 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 6.120 0.793 -3.620 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 5.279 -0.490 -2.891 1.00 10.00 H new ATOM 22 N ASP A 2 2.887 -0.508 1.870 1.00 10.00 N ATOM 23 CA ASP A 2 3.455 -0.330 3.195 1.00 10.00 C ATOM 24 C ASP A 2 4.978 -0.243 3.085 1.00 10.00 C ATOM 25 O ASP A 2 5.594 -1.001 2.338 1.00 10.00 O ATOM 26 CB ASP A 2 3.113 -1.512 4.104 1.00 10.00 C ATOM 27 CG ASP A 2 1.619 -1.721 4.359 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.776 -0.944 3.886 1.00 10.00 O ATOM 29 OD2 ASP A 2 1.328 -2.745 5.088 1.00 10.00 O ATOM 0 H ASP A 2 3.259 -1.302 1.349 1.00 10.00 H new ATOM 0 HA ASP A 2 3.040 0.584 3.620 1.00 10.00 H new ATOM 0 HB2 ASP A 2 3.521 -2.421 3.662 1.00 10.00 H new ATOM 0 HB3 ASP A 2 3.613 -1.371 5.062 1.00 10.00 H new ATOM 35 N GLY A 3 5.542 0.688 3.841 1.00 10.00 N ATOM 36 CA GLY A 3 6.971 0.944 3.772 1.00 10.00 C ATOM 37 C GLY A 3 7.328 2.253 4.479 1.00 10.00 C ATOM 38 O GLY A 3 6.610 2.694 5.375 1.00 10.00 O ATOM 0 H GLY A 3 5.035 1.274 4.504 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.515 0.118 4.231 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.286 0.992 2.729 1.00 10.00 H new ATOM 42 N TYR A 4 8.437 2.837 4.049 1.00 10.00 N ATOM 43 CA TYR A 4 8.868 4.114 4.590 1.00 10.00 C ATOM 44 C TYR A 4 8.823 5.206 3.519 1.00 10.00 C ATOM 45 O TYR A 4 9.722 5.299 2.684 1.00 10.00 O ATOM 46 CB TYR A 4 10.317 3.916 5.038 1.00 10.00 C ATOM 47 CG TYR A 4 10.503 2.797 6.065 1.00 10.00 C ATOM 48 CD1 TYR A 4 10.219 3.028 7.396 1.00 10.00 C ATOM 49 CD2 TYR A 4 10.954 1.557 5.661 1.00 10.00 C ATOM 50 CE1 TYR A 4 10.394 1.975 8.363 1.00 10.00 C ATOM 51 CE2 TYR A 4 11.129 0.504 6.628 1.00 10.00 C ATOM 52 CZ TYR A 4 10.840 0.765 7.931 1.00 10.00 C ATOM 53 OH TYR A 4 11.005 -0.229 8.844 1.00 10.00 O ATOM 0 H TYR A 4 9.050 2.449 3.332 1.00 10.00 H new ATOM 0 HA TYR A 4 8.217 4.423 5.407 1.00 10.00 H new ATOM 0 HB2 TYR A 4 10.930 3.698 4.164 1.00 10.00 H new ATOM 0 HB3 TYR A 4 10.686 4.850 5.462 1.00 10.00 H new ATOM 0 HD1 TYR A 4 9.866 3.998 7.712 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.176 1.376 4.620 1.00 10.00 H new ATOM 0 HE1 TYR A 4 10.176 2.142 9.407 1.00 10.00 H new ATOM 0 HE2 TYR A 4 11.482 -0.471 6.325 1.00 10.00 H new ATOM 0 HH TYR A 4 11.417 0.136 9.655 1.00 10.00 H new ATOM 63 N PRO A 5 7.740 6.027 3.579 1.00 10.00 N ATOM 64 CA PRO A 5 7.441 6.951 2.499 1.00 10.00 C ATOM 65 C PRO A 5 8.393 8.149 2.523 1.00 10.00 C ATOM 66 O PRO A 5 8.784 8.614 3.592 1.00 10.00 O ATOM 67 CB PRO A 5 5.987 7.344 2.709 1.00 10.00 C ATOM 68 CG PRO A 5 5.665 6.993 4.153 1.00 10.00 C ATOM 69 CD PRO A 5 6.776 6.096 4.674 1.00 10.00 C ATOM 0 HA PRO A 5 7.582 6.506 1.514 1.00 10.00 H new ATOM 0 HB2 PRO A 5 5.839 8.408 2.523 1.00 10.00 H new ATOM 0 HB3 PRO A 5 5.334 6.807 2.021 1.00 10.00 H new ATOM 0 HG2 PRO A 5 5.589 7.897 4.758 1.00 10.00 H new ATOM 0 HG3 PRO A 5 4.703 6.485 4.217 1.00 10.00 H new ATOM 0 HD2 PRO A 5 7.229 6.509 5.575 1.00 10.00 H new ATOM 0 HD3 PRO A 5 6.398 5.107 4.932 1.00 10.00 H new ATOM 77 N VAL A 6 8.737 8.614 1.331 1.00 10.00 N ATOM 78 CA VAL A 6 9.460 9.867 1.197 1.00 10.00 C ATOM 79 C VAL A 6 8.900 10.649 0.007 1.00 10.00 C ATOM 80 O VAL A 6 8.690 10.087 -1.067 1.00 10.00 O ATOM 81 CB VAL A 6 10.961 9.595 1.080 1.00 10.00 C ATOM 82 CG1 VAL A 6 11.574 9.306 2.451 1.00 10.00 C ATOM 83 CG2 VAL A 6 11.237 8.450 0.103 1.00 10.00 C ATOM 0 H VAL A 6 8.528 8.145 0.449 1.00 10.00 H new ATOM 0 HA VAL A 6 9.323 10.484 2.085 1.00 10.00 H new ATOM 0 HB VAL A 6 11.434 10.494 0.684 1.00 10.00 H new ATOM 0 HG11 VAL A 6 12.642 9.116 2.340 1.00 10.00 H new ATOM 0 HG12 VAL A 6 11.425 10.165 3.105 1.00 10.00 H new ATOM 0 HG13 VAL A 6 11.093 8.430 2.887 1.00 10.00 H new ATOM 0 HG21 VAL A 6 12.311 8.278 0.039 1.00 10.00 H new ATOM 0 HG22 VAL A 6 10.745 7.544 0.456 1.00 10.00 H new ATOM 0 HG23 VAL A 6 10.852 8.712 -0.883 1.00 10.00 H new ATOM 93 N ASP A 7 8.673 11.934 0.238 1.00 10.00 N ATOM 94 CA ASP A 7 8.264 12.826 -0.833 1.00 10.00 C ATOM 95 C ASP A 7 8.309 14.271 -0.332 1.00 10.00 C ATOM 96 O ASP A 7 9.168 15.048 -0.745 1.00 10.00 O ATOM 97 CB ASP A 7 6.833 12.526 -1.284 1.00 10.00 C ATOM 98 CG ASP A 7 5.958 11.833 -0.237 1.00 10.00 C ATOM 99 OD1 ASP A 7 5.924 12.236 0.935 1.00 10.00 O ATOM 100 OD2 ASP A 7 5.281 10.825 -0.674 1.00 10.00 O ATOM 0 H ASP A 7 8.765 12.378 1.152 1.00 10.00 H new ATOM 0 HA ASP A 7 8.944 12.680 -1.672 1.00 10.00 H new ATOM 0 HB2 ASP A 7 6.355 13.462 -1.573 1.00 10.00 H new ATOM 0 HB3 ASP A 7 6.872 11.900 -2.175 1.00 10.00 H new ATOM 106 N SER A 8 7.372 14.587 0.549 1.00 10.00 N ATOM 107 CA SER A 8 7.278 15.932 1.092 1.00 10.00 C ATOM 108 C SER A 8 8.238 16.087 2.274 1.00 10.00 C ATOM 109 O SER A 8 8.688 17.193 2.571 1.00 10.00 O ATOM 110 CB SER A 8 5.846 16.253 1.525 1.00 10.00 C ATOM 111 OG SER A 8 5.410 15.412 2.590 1.00 10.00 O ATOM 0 H SER A 8 6.671 13.935 0.901 1.00 10.00 H new ATOM 0 HA SER A 8 7.558 16.637 0.309 1.00 10.00 H new ATOM 0 HB2 SER A 8 5.787 17.295 1.838 1.00 10.00 H new ATOM 0 HB3 SER A 8 5.175 16.138 0.674 1.00 10.00 H new ATOM 0 HG SER A 8 4.652 15.831 3.049 1.00 10.00 H new ATOM 117 N LYS A 9 8.522 14.964 2.915 1.00 10.00 N ATOM 118 CA LYS A 9 9.229 14.985 4.185 1.00 10.00 C ATOM 119 C LYS A 9 10.731 14.845 3.929 1.00 10.00 C ATOM 120 O LYS A 9 11.545 15.220 4.772 1.00 10.00 O ATOM 121 CB LYS A 9 8.664 13.923 5.130 1.00 10.00 C ATOM 122 CG LYS A 9 8.740 12.531 4.500 1.00 10.00 C ATOM 123 CD LYS A 9 7.362 12.069 4.023 1.00 10.00 C ATOM 124 CE LYS A 9 6.589 11.391 5.156 1.00 10.00 C ATOM 125 NZ LYS A 9 7.006 9.977 5.294 1.00 10.00 N ATOM 0 H LYS A 9 8.276 14.033 2.579 1.00 10.00 H new ATOM 0 HA LYS A 9 9.079 15.939 4.690 1.00 10.00 H new ATOM 0 HB2 LYS A 9 9.220 13.933 6.067 1.00 10.00 H new ATOM 0 HB3 LYS A 9 7.628 14.160 5.372 1.00 10.00 H new ATOM 0 HG2 LYS A 9 9.434 12.546 3.659 1.00 10.00 H new ATOM 0 HG3 LYS A 9 9.134 11.820 5.226 1.00 10.00 H new ATOM 0 HD2 LYS A 9 6.796 12.924 3.652 1.00 10.00 H new ATOM 0 HD3 LYS A 9 7.475 11.376 3.189 1.00 10.00 H new ATOM 0 HE2 LYS A 9 6.764 11.921 6.092 1.00 10.00 H new ATOM 0 HE3 LYS A 9 5.519 11.443 4.956 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 6.250 9.436 5.760 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 7.189 9.576 4.352 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 7.872 9.925 5.867 1.00 10.00 H new ATOM 138 N GLY A 10 11.053 14.303 2.764 1.00 10.00 N ATOM 139 CA GLY A 10 12.443 14.149 2.368 1.00 10.00 C ATOM 140 C GLY A 10 13.079 12.941 3.058 1.00 10.00 C ATOM 141 O GLY A 10 13.402 11.949 2.407 1.00 10.00 O ATOM 0 H GLY A 10 10.375 13.965 2.081 1.00 10.00 H new ATOM 0 HA2 GLY A 10 12.506 14.029 1.286 1.00 10.00 H new ATOM 0 HA3 GLY A 10 12.999 15.052 2.621 1.00 10.00 H new ATOM 145 N CYS A 11 13.240 13.064 4.367 1.00 10.00 N ATOM 146 CA CYS A 11 13.849 12.002 5.150 1.00 10.00 C ATOM 147 C CYS A 11 12.764 11.365 6.021 1.00 10.00 C ATOM 148 O CYS A 11 11.665 11.905 6.144 1.00 10.00 O ATOM 149 CB CYS A 11 15.023 12.516 5.985 1.00 10.00 C ATOM 150 SG CYS A 11 16.584 12.740 5.058 1.00 10.00 S ATOM 0 H CYS A 11 12.959 13.883 4.906 1.00 10.00 H new ATOM 0 HA CYS A 11 14.267 11.248 4.482 1.00 10.00 H new ATOM 0 HB2 CYS A 11 14.742 13.470 6.432 1.00 10.00 H new ATOM 0 HB3 CYS A 11 15.200 11.819 6.804 1.00 10.00 H new ATOM 155 N LYS A 12 13.111 10.227 6.604 1.00 10.00 N ATOM 156 CA LYS A 12 12.134 9.426 7.322 1.00 10.00 C ATOM 157 C LYS A 12 11.771 10.126 8.633 1.00 10.00 C ATOM 158 O LYS A 12 12.512 10.986 9.107 1.00 10.00 O ATOM 159 CB LYS A 12 12.646 7.997 7.509 1.00 10.00 C ATOM 160 CG LYS A 12 11.802 7.002 6.709 1.00 10.00 C ATOM 161 CD LYS A 12 12.048 7.159 5.207 1.00 10.00 C ATOM 162 CE LYS A 12 13.194 6.257 4.742 1.00 10.00 C ATOM 163 NZ LYS A 12 13.281 6.251 3.264 1.00 10.00 N ATOM 0 H LYS A 12 14.055 9.841 6.594 1.00 10.00 H new ATOM 0 HA LYS A 12 11.215 9.337 6.743 1.00 10.00 H new ATOM 0 HB2 LYS A 12 13.687 7.935 7.190 1.00 10.00 H new ATOM 0 HB3 LYS A 12 12.620 7.733 8.566 1.00 10.00 H new ATOM 0 HG2 LYS A 12 12.044 5.985 7.016 1.00 10.00 H new ATOM 0 HG3 LYS A 12 10.745 7.158 6.927 1.00 10.00 H new ATOM 0 HD2 LYS A 12 11.140 6.911 4.658 1.00 10.00 H new ATOM 0 HD3 LYS A 12 12.284 8.199 4.980 1.00 10.00 H new ATOM 0 HE2 LYS A 12 14.135 6.607 5.166 1.00 10.00 H new ATOM 0 HE3 LYS A 12 13.037 5.242 5.107 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 14.041 5.608 2.964 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 12.377 5.928 2.864 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 13.486 7.212 2.924 1.00 10.00 H new ATOM 176 N LEU A 13 10.632 9.732 9.182 1.00 10.00 N ATOM 177 CA LEU A 13 10.200 10.255 10.467 1.00 10.00 C ATOM 178 C LEU A 13 10.723 9.348 11.583 1.00 10.00 C ATOM 179 O LEU A 13 10.439 8.151 11.601 1.00 10.00 O ATOM 180 CB LEU A 13 8.682 10.441 10.487 1.00 10.00 C ATOM 181 CG LEU A 13 8.152 11.706 9.810 1.00 10.00 C ATOM 182 CD1 LEU A 13 8.565 12.958 10.587 1.00 10.00 C ATOM 183 CD2 LEU A 13 8.591 11.769 8.346 1.00 10.00 C ATOM 0 H LEU A 13 9.995 9.056 8.760 1.00 10.00 H new ATOM 0 HA LEU A 13 10.621 11.246 10.636 1.00 10.00 H new ATOM 0 HB2 LEU A 13 8.224 9.577 10.007 1.00 10.00 H new ATOM 0 HB3 LEU A 13 8.350 10.442 11.525 1.00 10.00 H new ATOM 0 HG LEU A 13 7.063 11.667 9.818 1.00 10.00 H new ATOM 0 HD11 LEU A 13 8.175 13.843 10.084 1.00 10.00 H new ATOM 0 HD12 LEU A 13 8.162 12.908 11.598 1.00 10.00 H new ATOM 0 HD13 LEU A 13 9.653 13.016 10.632 1.00 10.00 H new ATOM 0 HD21 LEU A 13 8.201 12.678 7.888 1.00 10.00 H new ATOM 0 HD22 LEU A 13 9.680 11.774 8.293 1.00 10.00 H new ATOM 0 HD23 LEU A 13 8.206 10.900 7.813 1.00 10.00 H new ATOM 195 N SER A 14 11.479 9.953 12.488 1.00 10.00 N ATOM 196 CA SER A 14 12.024 9.220 13.619 1.00 10.00 C ATOM 197 C SER A 14 10.938 9.005 14.675 1.00 10.00 C ATOM 198 O SER A 14 10.700 9.874 15.512 1.00 10.00 O ATOM 199 CB SER A 14 13.218 9.957 14.228 1.00 10.00 C ATOM 200 OG SER A 14 12.868 11.264 14.675 1.00 10.00 O ATOM 0 H SER A 14 11.727 10.942 12.461 1.00 10.00 H new ATOM 0 HA SER A 14 12.373 8.251 13.263 1.00 10.00 H new ATOM 0 HB2 SER A 14 13.611 9.381 15.066 1.00 10.00 H new ATOM 0 HB3 SER A 14 14.015 10.028 13.488 1.00 10.00 H new ATOM 0 HG SER A 14 12.002 11.232 15.132 1.00 10.00 H new ATOM 206 N CYS A 15 10.308 7.842 14.600 1.00 10.00 N ATOM 207 CA CYS A 15 9.228 7.516 15.516 1.00 10.00 C ATOM 208 C CYS A 15 9.832 7.255 16.898 1.00 10.00 C ATOM 209 O CYS A 15 10.956 6.767 17.006 1.00 10.00 O ATOM 210 CB CYS A 15 8.405 6.325 15.020 1.00 10.00 C ATOM 211 SG CYS A 15 9.329 4.751 14.896 1.00 10.00 S ATOM 0 H CYS A 15 10.525 7.114 13.919 1.00 10.00 H new ATOM 0 HA CYS A 15 8.534 8.354 15.576 1.00 10.00 H new ATOM 0 HB2 CYS A 15 7.559 6.181 15.692 1.00 10.00 H new ATOM 0 HB3 CYS A 15 7.996 6.568 14.039 1.00 10.00 H new ATOM 216 N VAL A 16 9.059 7.593 17.919 1.00 10.00 N ATOM 217 CA VAL A 16 9.435 7.263 19.284 1.00 10.00 C ATOM 218 C VAL A 16 8.403 6.302 19.875 1.00 10.00 C ATOM 219 O VAL A 16 8.566 5.823 20.997 1.00 10.00 O ATOM 220 CB VAL A 16 9.600 8.544 20.105 1.00 10.00 C ATOM 221 CG1 VAL A 16 10.722 9.417 19.539 1.00 10.00 C ATOM 222 CG2 VAL A 16 8.284 9.321 20.178 1.00 10.00 C ATOM 0 H VAL A 16 8.174 8.092 17.829 1.00 10.00 H new ATOM 0 HA VAL A 16 10.399 6.755 19.303 1.00 10.00 H new ATOM 0 HB VAL A 16 9.877 8.259 21.120 1.00 10.00 H new ATOM 0 HG11 VAL A 16 10.818 10.321 20.141 1.00 10.00 H new ATOM 0 HG12 VAL A 16 11.661 8.864 19.563 1.00 10.00 H new ATOM 0 HG13 VAL A 16 10.487 9.689 18.510 1.00 10.00 H new ATOM 0 HG21 VAL A 16 8.428 10.227 20.767 1.00 10.00 H new ATOM 0 HG22 VAL A 16 7.964 9.590 19.171 1.00 10.00 H new ATOM 0 HG23 VAL A 16 7.521 8.701 20.648 1.00 10.00 H new ATOM 232 N ALA A 17 7.362 6.049 19.095 1.00 10.00 N ATOM 233 CA ALA A 17 6.218 5.304 19.593 1.00 10.00 C ATOM 234 C ALA A 17 5.280 4.981 18.428 1.00 10.00 C ATOM 235 O ALA A 17 5.306 5.655 17.400 1.00 10.00 O ATOM 236 CB ALA A 17 5.524 6.109 20.694 1.00 10.00 C ATOM 0 H ALA A 17 7.287 6.347 18.122 1.00 10.00 H new ATOM 0 HA ALA A 17 6.537 4.359 20.032 1.00 10.00 H new ATOM 0 HB1 ALA A 17 4.666 5.550 21.067 1.00 10.00 H new ATOM 0 HB2 ALA A 17 6.224 6.288 21.510 1.00 10.00 H new ATOM 0 HB3 ALA A 17 5.187 7.063 20.290 1.00 10.00 H new ATOM 242 N ASN A 18 4.473 3.950 18.629 1.00 10.00 N ATOM 243 CA ASN A 18 3.640 3.432 17.557 1.00 10.00 C ATOM 244 C ASN A 18 2.533 4.441 17.244 1.00 10.00 C ATOM 245 O ASN A 18 2.200 4.660 16.080 1.00 10.00 O ATOM 246 CB ASN A 18 2.977 2.114 17.962 1.00 10.00 C ATOM 247 CG ASN A 18 3.999 0.977 18.007 1.00 10.00 C ATOM 248 OD1 ASN A 18 4.660 0.662 17.031 1.00 10.00 O ATOM 249 ND2 ASN A 18 4.093 0.380 19.192 1.00 10.00 N ATOM 0 H ASN A 18 4.378 3.459 19.518 1.00 10.00 H new ATOM 0 HA ASN A 18 4.276 3.264 16.688 1.00 10.00 H new ATOM 0 HB2 ASN A 18 2.507 2.224 18.939 1.00 10.00 H new ATOM 0 HB3 ASN A 18 2.185 1.868 17.254 1.00 10.00 H new ATOM 0 HD21 ASN A 18 4.748 -0.391 19.324 1.00 10.00 H new ATOM 0 HD22 ASN A 18 3.510 0.693 19.968 1.00 10.00 H new ATOM 256 N ASN A 19 1.994 5.027 18.302 1.00 10.00 N ATOM 257 CA ASN A 19 0.947 6.024 18.153 1.00 10.00 C ATOM 258 C ASN A 19 1.524 7.265 17.468 1.00 10.00 C ATOM 259 O ASN A 19 0.826 7.945 16.718 1.00 10.00 O ATOM 260 CB ASN A 19 0.395 6.450 19.515 1.00 10.00 C ATOM 261 CG ASN A 19 1.519 6.921 20.440 1.00 10.00 C ATOM 262 OD1 ASN A 19 2.269 6.137 20.997 1.00 10.00 O ATOM 263 ND2 ASN A 19 1.594 8.242 20.571 1.00 10.00 N ATOM 0 H ASN A 19 2.262 4.831 19.266 1.00 10.00 H new ATOM 0 HA ASN A 19 0.145 5.585 17.560 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.331 7.252 19.382 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.133 5.615 19.975 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.312 8.656 21.166 1.00 10.00 H new ATOM 0 HD22 ASN A 19 0.934 8.842 20.076 1.00 10.00 H new ATOM 270 N TYR A 20 2.793 7.521 17.750 1.00 10.00 N ATOM 271 CA TYR A 20 3.443 8.721 17.250 1.00 10.00 C ATOM 272 C TYR A 20 3.833 8.561 15.779 1.00 10.00 C ATOM 273 O TYR A 20 3.990 9.549 15.064 1.00 10.00 O ATOM 274 CB TYR A 20 4.712 8.893 18.087 1.00 10.00 C ATOM 275 CG TYR A 20 5.538 10.127 17.718 1.00 10.00 C ATOM 276 CD1 TYR A 20 6.438 10.067 16.673 1.00 10.00 C ATOM 277 CD2 TYR A 20 5.384 11.299 18.430 1.00 10.00 C ATOM 278 CE1 TYR A 20 7.216 11.229 16.326 1.00 10.00 C ATOM 279 CE2 TYR A 20 6.161 12.460 18.083 1.00 10.00 C ATOM 280 CZ TYR A 20 7.039 12.368 17.048 1.00 10.00 C ATOM 281 OH TYR A 20 7.773 13.464 16.720 1.00 10.00 O ATOM 0 H TYR A 20 3.388 6.918 18.318 1.00 10.00 H new ATOM 0 HA TYR A 20 2.775 9.579 17.324 1.00 10.00 H new ATOM 0 HB2 TYR A 20 4.435 8.955 19.139 1.00 10.00 H new ATOM 0 HB3 TYR A 20 5.334 8.005 17.973 1.00 10.00 H new ATOM 0 HD1 TYR A 20 6.559 9.150 16.116 1.00 10.00 H new ATOM 0 HD2 TYR A 20 4.680 11.345 19.248 1.00 10.00 H new ATOM 0 HE1 TYR A 20 7.924 11.196 15.511 1.00 10.00 H new ATOM 0 HE2 TYR A 20 6.049 13.383 18.632 1.00 10.00 H new ATOM 0 HH TYR A 20 7.541 14.204 17.319 1.00 10.00 H new ATOM 291 N CYS A 21 3.979 7.309 15.372 1.00 10.00 N ATOM 292 CA CYS A 21 4.081 6.989 13.958 1.00 10.00 C ATOM 293 C CYS A 21 2.686 7.102 13.339 1.00 10.00 C ATOM 294 O CYS A 21 2.490 7.839 12.374 1.00 10.00 O ATOM 295 CB CYS A 21 4.694 5.605 13.734 1.00 10.00 C ATOM 296 SG CYS A 21 4.610 4.998 12.010 1.00 10.00 S ATOM 0 H CYS A 21 4.029 6.504 15.996 1.00 10.00 H new ATOM 0 HA CYS A 21 4.753 7.695 13.470 1.00 10.00 H new ATOM 0 HB2 CYS A 21 5.739 5.631 14.045 1.00 10.00 H new ATOM 0 HB3 CYS A 21 4.187 4.889 14.381 1.00 10.00 H new ATOM 301 N ASP A 22 1.754 6.360 13.918 1.00 10.00 N ATOM 302 CA ASP A 22 0.491 6.090 13.252 1.00 10.00 C ATOM 303 C ASP A 22 -0.208 7.415 12.938 1.00 10.00 C ATOM 304 O ASP A 22 -0.657 7.632 11.814 1.00 10.00 O ATOM 305 CB ASP A 22 -0.438 5.266 14.146 1.00 10.00 C ATOM 306 CG ASP A 22 -1.742 4.818 13.484 1.00 10.00 C ATOM 307 OD1 ASP A 22 -1.775 3.820 12.749 1.00 10.00 O ATOM 308 OD2 ASP A 22 -2.770 5.551 13.753 1.00 10.00 O ATOM 0 H ASP A 22 1.848 5.937 14.841 1.00 10.00 H new ATOM 0 HA ASP A 22 0.703 5.532 12.340 1.00 10.00 H new ATOM 0 HB2 ASP A 22 0.101 4.382 14.488 1.00 10.00 H new ATOM 0 HB3 ASP A 22 -0.681 5.853 15.032 1.00 10.00 H new ATOM 314 N ASN A 23 -0.277 8.266 13.951 1.00 10.00 N ATOM 315 CA ASN A 23 -1.016 9.511 13.834 1.00 10.00 C ATOM 316 C ASN A 23 -0.362 10.389 12.766 1.00 10.00 C ATOM 317 O ASN A 23 -1.038 11.171 12.100 1.00 10.00 O ATOM 318 CB ASN A 23 -1.006 10.284 15.154 1.00 10.00 C ATOM 319 CG ASN A 23 0.416 10.704 15.533 1.00 10.00 C ATOM 320 OD1 ASN A 23 1.393 10.058 15.191 1.00 10.00 O ATOM 321 ND2 ASN A 23 0.477 11.818 16.256 1.00 10.00 N ATOM 0 H ASN A 23 0.167 8.117 14.857 1.00 10.00 H new ATOM 0 HA ASN A 23 -2.045 9.269 13.567 1.00 10.00 H new ATOM 0 HB2 ASN A 23 -1.639 11.167 15.067 1.00 10.00 H new ATOM 0 HB3 ASN A 23 -1.429 9.665 15.945 1.00 10.00 H new ATOM 0 HD21 ASN A 23 1.381 12.181 16.559 1.00 10.00 H new ATOM 0 HD22 ASN A 23 -0.380 12.310 16.508 1.00 10.00 H new ATOM 328 N GLN A 24 0.947 10.231 12.637 1.00 10.00 N ATOM 329 CA GLN A 24 1.713 11.053 11.714 1.00 10.00 C ATOM 330 C GLN A 24 1.626 10.482 10.298 1.00 10.00 C ATOM 331 O GLN A 24 1.828 11.202 9.321 1.00 10.00 O ATOM 332 CB GLN A 24 3.169 11.176 12.168 1.00 10.00 C ATOM 333 CG GLN A 24 3.896 12.271 11.385 1.00 10.00 C ATOM 334 CD GLN A 24 5.246 12.599 12.028 1.00 10.00 C ATOM 335 OE1 GLN A 24 5.957 11.736 12.516 1.00 10.00 O ATOM 336 NE2 GLN A 24 5.558 13.891 12.000 1.00 10.00 N ATOM 0 H GLN A 24 1.497 9.546 13.156 1.00 10.00 H new ATOM 0 HA GLN A 24 1.284 12.055 11.708 1.00 10.00 H new ATOM 0 HB2 GLN A 24 3.204 11.402 13.234 1.00 10.00 H new ATOM 0 HB3 GLN A 24 3.679 10.223 12.027 1.00 10.00 H new ATOM 0 HG2 GLN A 24 4.048 11.947 10.355 1.00 10.00 H new ATOM 0 HG3 GLN A 24 3.279 13.168 11.349 1.00 10.00 H new ATOM 0 HE21 GLN A 24 4.917 14.561 11.576 1.00 10.00 H new ATOM 0 HE22 GLN A 24 6.438 14.212 12.403 1.00 10.00 H new ATOM 345 N CYS A 25 1.327 9.193 10.230 1.00 10.00 N ATOM 346 CA CYS A 25 1.165 8.529 8.949 1.00 10.00 C ATOM 347 C CYS A 25 -0.229 8.858 8.409 1.00 10.00 C ATOM 348 O CYS A 25 -0.375 9.239 7.249 1.00 10.00 O ATOM 349 CB CYS A 25 1.390 7.019 9.062 1.00 10.00 C ATOM 350 SG CYS A 25 3.100 6.529 9.490 1.00 10.00 S ATOM 0 H CYS A 25 1.193 8.591 11.042 1.00 10.00 H new ATOM 0 HA CYS A 25 1.919 8.892 8.251 1.00 10.00 H new ATOM 0 HB2 CYS A 25 0.713 6.620 9.817 1.00 10.00 H new ATOM 0 HB3 CYS A 25 1.120 6.553 8.114 1.00 10.00 H new ATOM 355 N LYS A 26 -1.217 8.701 9.277 1.00 10.00 N ATOM 356 CA LYS A 26 -2.598 8.622 8.833 1.00 10.00 C ATOM 357 C LYS A 26 -3.128 10.034 8.577 1.00 10.00 C ATOM 358 O LYS A 26 -4.188 10.204 7.975 1.00 10.00 O ATOM 359 CB LYS A 26 -3.437 7.822 9.830 1.00 10.00 C ATOM 360 CG LYS A 26 -3.563 8.565 11.162 1.00 10.00 C ATOM 361 CD LYS A 26 -5.028 8.690 11.584 1.00 10.00 C ATOM 362 CE LYS A 26 -5.748 9.756 10.756 1.00 10.00 C ATOM 363 NZ LYS A 26 -7.100 10.011 11.303 1.00 10.00 N ATOM 0 H LYS A 26 -1.089 8.626 10.286 1.00 10.00 H new ATOM 0 HA LYS A 26 -2.664 8.080 7.890 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -4.429 7.642 9.415 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -2.979 6.847 9.996 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -3.003 8.035 11.932 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -3.121 9.557 11.072 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -5.529 7.730 11.461 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -5.085 8.946 12.642 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -5.168 10.679 10.758 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -5.824 9.429 9.719 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -7.575 10.737 10.730 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -7.656 9.132 11.279 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -7.020 10.343 12.285 1.00 10.00 H new ATOM 376 N MET A 27 -2.367 11.012 9.046 1.00 10.00 N ATOM 377 CA MET A 27 -2.790 12.399 8.957 1.00 10.00 C ATOM 378 C MET A 27 -3.060 12.798 7.505 1.00 10.00 C ATOM 379 O MET A 27 -3.855 13.700 7.243 1.00 10.00 O ATOM 380 CB MET A 27 -1.703 13.303 9.542 1.00 10.00 C ATOM 381 CG MET A 27 -0.491 13.376 8.611 1.00 10.00 C ATOM 382 SD MET A 27 0.851 14.229 9.421 1.00 10.00 S ATOM 383 CE MET A 27 2.028 14.300 8.081 1.00 10.00 C ATOM 0 H MET A 27 -1.459 10.871 9.489 1.00 10.00 H new ATOM 0 HA MET A 27 -3.714 12.514 9.523 1.00 10.00 H new ATOM 0 HB2 MET A 27 -2.104 14.304 9.702 1.00 10.00 H new ATOM 0 HB3 MET A 27 -1.395 12.924 10.516 1.00 10.00 H new ATOM 0 HG2 MET A 27 -0.177 12.371 8.330 1.00 10.00 H new ATOM 0 HG3 MET A 27 -0.760 13.895 7.691 1.00 10.00 H new ATOM 0 HE1 MET A 27 2.933 14.806 8.418 1.00 10.00 H new ATOM 0 HE2 MET A 27 2.276 13.288 7.761 1.00 10.00 H new ATOM 0 HE3 MET A 27 1.595 14.849 7.245 1.00 10.00 H new ATOM 393 N LYS A 28 -2.384 12.107 6.599 1.00 10.00 N ATOM 394 CA LYS A 28 -2.476 12.434 5.186 1.00 10.00 C ATOM 395 C LYS A 28 -2.058 11.217 4.358 1.00 10.00 C ATOM 396 O LYS A 28 -2.835 10.720 3.543 1.00 10.00 O ATOM 397 CB LYS A 28 -1.670 13.696 4.875 1.00 10.00 C ATOM 398 CG LYS A 28 -1.818 14.093 3.405 1.00 10.00 C ATOM 399 CD LYS A 28 -0.917 15.281 3.063 1.00 10.00 C ATOM 400 CE LYS A 28 -1.490 16.583 3.627 1.00 10.00 C ATOM 401 NZ LYS A 28 -0.701 17.743 3.155 1.00 10.00 N ATOM 0 H LYS A 28 -1.770 11.322 6.816 1.00 10.00 H new ATOM 0 HA LYS A 28 -3.506 12.667 4.914 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.008 14.514 5.512 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -0.618 13.526 5.105 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -1.565 13.245 2.769 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.857 14.349 3.197 1.00 10.00 H new ATOM 0 HD2 LYS A 28 0.081 15.113 3.467 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -0.813 15.364 1.981 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -2.530 16.693 3.319 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -1.482 16.549 4.716 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -1.103 18.619 3.547 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 0.285 17.643 3.470 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -0.730 17.783 2.116 1.00 10.00 H new ATOM 414 N LYS A 29 -0.833 10.772 4.595 1.00 10.00 N ATOM 415 CA LYS A 29 -0.157 9.903 3.647 1.00 10.00 C ATOM 416 C LYS A 29 -0.876 8.553 3.597 1.00 10.00 C ATOM 417 O LYS A 29 -1.159 8.037 2.517 1.00 10.00 O ATOM 418 CB LYS A 29 1.331 9.794 3.987 1.00 10.00 C ATOM 419 CG LYS A 29 2.028 11.148 3.838 1.00 10.00 C ATOM 420 CD LYS A 29 2.338 11.447 2.370 1.00 10.00 C ATOM 421 CE LYS A 29 2.828 12.885 2.195 1.00 10.00 C ATOM 422 NZ LYS A 29 4.134 13.073 2.866 1.00 10.00 N ATOM 0 H LYS A 29 -0.291 10.997 5.429 1.00 10.00 H new ATOM 0 HA LYS A 29 -0.201 10.326 2.644 1.00 10.00 H new ATOM 0 HB2 LYS A 29 1.449 9.431 5.008 1.00 10.00 H new ATOM 0 HB3 LYS A 29 1.805 9.063 3.332 1.00 10.00 H new ATOM 0 HG2 LYS A 29 1.394 11.934 4.247 1.00 10.00 H new ATOM 0 HG3 LYS A 29 2.952 11.151 4.416 1.00 10.00 H new ATOM 0 HD2 LYS A 29 3.097 10.754 2.006 1.00 10.00 H new ATOM 0 HD3 LYS A 29 1.445 11.287 1.766 1.00 10.00 H new ATOM 0 HE2 LYS A 29 2.921 13.117 1.134 1.00 10.00 H new ATOM 0 HE3 LYS A 29 2.096 13.578 2.610 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 4.420 14.070 2.796 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 4.051 12.806 3.868 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 4.850 12.475 2.406 1.00 10.00 H new ATOM 435 N ALA A 30 -1.150 8.020 4.778 1.00 10.00 N ATOM 436 CA ALA A 30 -1.421 6.599 4.913 1.00 10.00 C ATOM 437 C ALA A 30 -2.794 6.405 5.560 1.00 10.00 C ATOM 438 O ALA A 30 -3.504 7.375 5.820 1.00 10.00 O ATOM 439 CB ALA A 30 -0.299 5.939 5.718 1.00 10.00 C ATOM 0 H ALA A 30 -1.190 8.547 5.651 1.00 10.00 H new ATOM 0 HA ALA A 30 -1.447 6.119 3.935 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -0.502 4.873 5.819 1.00 10.00 H new ATOM 0 HB2 ALA A 30 0.651 6.080 5.202 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -0.245 6.394 6.707 1.00 10.00 H new ATOM 445 N SER A 31 -3.126 5.145 5.802 1.00 10.00 N ATOM 446 CA SER A 31 -4.287 4.820 6.612 1.00 10.00 C ATOM 447 C SER A 31 -3.865 4.597 8.066 1.00 10.00 C ATOM 448 O SER A 31 -4.621 4.898 8.989 1.00 10.00 O ATOM 449 CB SER A 31 -5.006 3.582 6.073 1.00 10.00 C ATOM 450 OG SER A 31 -4.264 2.389 6.308 1.00 10.00 O ATOM 0 H SER A 31 -2.611 4.337 5.451 1.00 10.00 H new ATOM 0 HA SER A 31 -4.981 5.659 6.566 1.00 10.00 H new ATOM 0 HB2 SER A 31 -5.986 3.498 6.544 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.175 3.699 5.003 1.00 10.00 H new ATOM 0 HG SER A 31 -3.306 2.595 6.311 1.00 10.00 H new ATOM 456 N GLY A 32 -2.659 4.072 8.225 1.00 10.00 N ATOM 457 CA GLY A 32 -2.117 3.830 9.551 1.00 10.00 C ATOM 458 C GLY A 32 -0.589 3.765 9.515 1.00 10.00 C ATOM 459 O GLY A 32 0.029 4.139 8.519 1.00 10.00 O ATOM 0 H GLY A 32 -2.042 3.807 7.457 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -2.435 4.623 10.228 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -2.515 2.895 9.946 1.00 10.00 H new ATOM 463 N GLY A 33 -0.023 3.288 10.614 1.00 10.00 N ATOM 464 CA GLY A 33 1.413 3.072 10.683 1.00 10.00 C ATOM 465 C GLY A 33 1.809 2.445 12.021 1.00 10.00 C ATOM 466 O GLY A 33 1.006 2.400 12.952 1.00 10.00 O ATOM 0 H GLY A 33 -0.532 3.045 11.464 1.00 10.00 H new ATOM 0 HA2 GLY A 33 1.726 2.422 9.866 1.00 10.00 H new ATOM 0 HA3 GLY A 33 1.934 4.021 10.554 1.00 10.00 H new ATOM 470 N HIS A 34 3.047 1.976 12.075 1.00 10.00 N ATOM 471 CA HIS A 34 3.614 1.502 13.326 1.00 10.00 C ATOM 472 C HIS A 34 5.106 1.836 13.372 1.00 10.00 C ATOM 473 O HIS A 34 5.718 2.105 12.339 1.00 10.00 O ATOM 474 CB HIS A 34 3.334 0.010 13.518 1.00 10.00 C ATOM 475 CG HIS A 34 2.391 -0.296 14.657 1.00 10.00 C ATOM 476 ND1 HIS A 34 1.145 0.294 14.778 1.00 10.00 N ATOM 477 CD2 HIS A 34 2.525 -1.136 15.724 1.00 10.00 C ATOM 478 CE1 HIS A 34 0.564 -0.176 15.873 1.00 10.00 C ATOM 479 NE2 HIS A 34 1.421 -1.062 16.457 1.00 10.00 N ATOM 0 H HIS A 34 3.673 1.914 11.272 1.00 10.00 H new ATOM 0 HA HIS A 34 3.137 2.013 14.163 1.00 10.00 H new ATOM 0 HB2 HIS A 34 2.916 -0.392 12.595 1.00 10.00 H new ATOM 0 HB3 HIS A 34 4.278 -0.507 13.692 1.00 10.00 H new ATOM 0 HD1 HIS A 34 0.742 0.975 14.134 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.384 -1.756 15.936 1.00 10.00 H new ATOM 0 HE1 HIS A 34 -0.416 0.095 16.238 1.00 10.00 H new ATOM 487 N CYS A 35 5.649 1.807 14.580 1.00 10.00 N ATOM 488 CA CYS A 35 6.994 2.307 14.808 1.00 10.00 C ATOM 489 C CYS A 35 7.963 1.124 14.745 1.00 10.00 C ATOM 490 O CYS A 35 8.016 0.311 15.666 1.00 10.00 O ATOM 491 CB CYS A 35 7.101 3.061 16.135 1.00 10.00 C ATOM 492 SG CYS A 35 8.774 3.690 16.528 1.00 10.00 S ATOM 0 H CYS A 35 5.182 1.445 15.411 1.00 10.00 H new ATOM 0 HA CYS A 35 7.252 3.029 14.034 1.00 10.00 H new ATOM 0 HB2 CYS A 35 6.407 3.902 16.116 1.00 10.00 H new ATOM 0 HB3 CYS A 35 6.779 2.400 16.939 1.00 10.00 H new ATOM 497 N TYR A 36 8.704 1.065 13.648 1.00 10.00 N ATOM 498 CA TYR A 36 9.840 0.164 13.560 1.00 10.00 C ATOM 499 C TYR A 36 11.110 0.828 14.096 1.00 10.00 C ATOM 500 O TYR A 36 11.181 2.052 14.193 1.00 10.00 O ATOM 501 CB TYR A 36 10.026 -0.137 12.071 1.00 10.00 C ATOM 502 CG TYR A 36 10.774 -1.441 11.789 1.00 10.00 C ATOM 503 CD1 TYR A 36 10.189 -2.653 12.095 1.00 10.00 C ATOM 504 CD2 TYR A 36 12.034 -1.406 11.227 1.00 10.00 C ATOM 505 CE1 TYR A 36 10.892 -3.881 11.829 1.00 10.00 C ATOM 506 CE2 TYR A 36 12.738 -2.634 10.960 1.00 10.00 C ATOM 507 CZ TYR A 36 12.132 -3.810 11.275 1.00 10.00 C ATOM 508 OH TYR A 36 12.797 -4.970 11.023 1.00 10.00 O ATOM 0 H TYR A 36 8.539 1.627 12.813 1.00 10.00 H new ATOM 0 HA TYR A 36 9.662 -0.735 14.149 1.00 10.00 H new ATOM 0 HB2 TYR A 36 9.047 -0.182 11.595 1.00 10.00 H new ATOM 0 HB3 TYR A 36 10.568 0.688 11.609 1.00 10.00 H new ATOM 0 HD1 TYR A 36 9.203 -2.680 12.534 1.00 10.00 H new ATOM 0 HD2 TYR A 36 12.492 -0.458 10.987 1.00 10.00 H new ATOM 0 HE1 TYR A 36 10.445 -4.836 12.064 1.00 10.00 H new ATOM 0 HE2 TYR A 36 13.724 -2.621 10.520 1.00 10.00 H new ATOM 0 HH TYR A 36 13.670 -4.767 10.626 1.00 10.00 H new ATOM 518 N ALA A 37 12.081 -0.009 14.431 1.00 10.00 N ATOM 519 CA ALA A 37 13.246 0.452 15.167 1.00 10.00 C ATOM 520 C ALA A 37 13.908 1.599 14.400 1.00 10.00 C ATOM 521 O ALA A 37 14.478 2.506 15.004 1.00 10.00 O ATOM 522 CB ALA A 37 14.200 -0.721 15.400 1.00 10.00 C ATOM 0 H ALA A 37 12.085 -1.004 14.206 1.00 10.00 H new ATOM 0 HA ALA A 37 12.955 0.835 16.145 1.00 10.00 H new ATOM 0 HB1 ALA A 37 15.074 -0.375 15.952 1.00 10.00 H new ATOM 0 HB2 ALA A 37 13.691 -1.495 15.974 1.00 10.00 H new ATOM 0 HB3 ALA A 37 14.516 -1.130 14.440 1.00 10.00 H new ATOM 528 N MET A 38 13.810 1.520 13.081 1.00 10.00 N ATOM 529 CA MET A 38 14.455 2.500 12.224 1.00 10.00 C ATOM 530 C MET A 38 13.665 3.810 12.197 1.00 10.00 C ATOM 531 O MET A 38 14.222 4.879 12.444 1.00 10.00 O ATOM 532 CB MET A 38 14.565 1.941 10.803 1.00 10.00 C ATOM 533 CG MET A 38 15.524 0.750 10.756 1.00 10.00 C ATOM 534 SD MET A 38 17.212 1.320 10.859 1.00 10.00 S ATOM 535 CE MET A 38 18.064 -0.246 10.932 1.00 10.00 C ATOM 0 H MET A 38 13.294 0.793 12.585 1.00 10.00 H new ATOM 0 HA MET A 38 15.449 2.705 12.622 1.00 10.00 H new ATOM 0 HB2 MET A 38 13.580 1.634 10.452 1.00 10.00 H new ATOM 0 HB3 MET A 38 14.915 2.721 10.127 1.00 10.00 H new ATOM 0 HG2 MET A 38 15.311 0.068 11.580 1.00 10.00 H new ATOM 0 HG3 MET A 38 15.376 0.190 9.833 1.00 10.00 H new ATOM 0 HE1 MET A 38 19.138 -0.073 11.000 1.00 10.00 H new ATOM 0 HE2 MET A 38 17.730 -0.801 11.808 1.00 10.00 H new ATOM 0 HE3 MET A 38 17.845 -0.822 10.033 1.00 10.00 H new ATOM 545 N SER A 39 12.381 3.684 11.896 1.00 10.00 N ATOM 546 CA SER A 39 11.589 4.836 11.499 1.00 10.00 C ATOM 547 C SER A 39 10.103 4.474 11.499 1.00 10.00 C ATOM 548 O SER A 39 9.743 3.312 11.686 1.00 10.00 O ATOM 549 CB SER A 39 12.011 5.346 10.120 1.00 10.00 C ATOM 550 OG SER A 39 13.372 5.768 10.100 1.00 10.00 O ATOM 0 H SER A 39 11.869 2.802 11.919 1.00 10.00 H new ATOM 0 HA SER A 39 11.762 5.635 12.220 1.00 10.00 H new ATOM 0 HB2 SER A 39 11.865 4.558 9.382 1.00 10.00 H new ATOM 0 HB3 SER A 39 11.369 6.178 9.829 1.00 10.00 H new ATOM 0 HG SER A 39 13.702 5.854 11.019 1.00 10.00 H new ATOM 556 N CYS A 40 9.279 5.490 11.288 1.00 10.00 N ATOM 557 CA CYS A 40 7.847 5.278 11.160 1.00 10.00 C ATOM 558 C CYS A 40 7.597 4.427 9.913 1.00 10.00 C ATOM 559 O CYS A 40 7.798 4.889 8.791 1.00 10.00 O ATOM 560 CB CYS A 40 7.082 6.602 11.110 1.00 10.00 C ATOM 561 SG CYS A 40 5.284 6.438 10.809 1.00 10.00 S ATOM 0 H CYS A 40 9.576 6.462 11.202 1.00 10.00 H new ATOM 0 HA CYS A 40 7.474 4.751 12.039 1.00 10.00 H new ATOM 0 HB2 CYS A 40 7.232 7.128 12.053 1.00 10.00 H new ATOM 0 HB3 CYS A 40 7.512 7.225 10.326 1.00 10.00 H new ATOM 566 N TYR A 41 7.162 3.199 10.152 1.00 10.00 N ATOM 567 CA TYR A 41 6.721 2.337 9.068 1.00 10.00 C ATOM 568 C TYR A 41 5.226 2.518 8.797 1.00 10.00 C ATOM 569 O TYR A 41 4.391 1.994 9.533 1.00 10.00 O ATOM 570 CB TYR A 41 6.973 0.904 9.540 1.00 10.00 C ATOM 571 CG TYR A 41 6.567 -0.166 8.524 1.00 10.00 C ATOM 572 CD1 TYR A 41 7.386 -0.441 7.447 1.00 10.00 C ATOM 573 CD2 TYR A 41 5.383 -0.856 8.684 1.00 10.00 C ATOM 574 CE1 TYR A 41 7.004 -1.447 6.491 1.00 10.00 C ATOM 575 CE2 TYR A 41 5.001 -1.863 7.728 1.00 10.00 C ATOM 576 CZ TYR A 41 5.831 -2.109 6.678 1.00 10.00 C ATOM 577 OH TYR A 41 5.470 -3.060 5.775 1.00 10.00 O ATOM 0 H TYR A 41 7.105 2.780 11.080 1.00 10.00 H new ATOM 0 HA TYR A 41 7.255 2.574 8.148 1.00 10.00 H new ATOM 0 HB2 TYR A 41 8.032 0.789 9.770 1.00 10.00 H new ATOM 0 HB3 TYR A 41 6.426 0.736 10.467 1.00 10.00 H new ATOM 0 HD1 TYR A 41 8.313 0.099 7.322 1.00 10.00 H new ATOM 0 HD2 TYR A 41 4.742 -0.641 9.526 1.00 10.00 H new ATOM 0 HE1 TYR A 41 7.635 -1.671 5.644 1.00 10.00 H new ATOM 0 HE2 TYR A 41 4.077 -2.410 7.842 1.00 10.00 H new ATOM 0 HH TYR A 41 4.610 -3.450 6.037 1.00 10.00 H new ATOM 587 N CYS A 42 4.934 3.260 7.739 1.00 10.00 N ATOM 588 CA CYS A 42 3.571 3.689 7.479 1.00 10.00 C ATOM 589 C CYS A 42 2.876 2.607 6.651 1.00 10.00 C ATOM 590 O CYS A 42 3.531 1.857 5.928 1.00 10.00 O ATOM 591 CB CYS A 42 3.529 5.053 6.787 1.00 10.00 C ATOM 592 SG CYS A 42 4.143 6.447 7.800 1.00 10.00 S ATOM 0 H CYS A 42 5.619 3.575 7.052 1.00 10.00 H new ATOM 0 HA CYS A 42 3.042 3.818 8.423 1.00 10.00 H new ATOM 0 HB2 CYS A 42 4.120 4.999 5.873 1.00 10.00 H new ATOM 0 HB3 CYS A 42 2.501 5.263 6.491 1.00 10.00 H new ATOM 597 N GLU A 43 1.559 2.560 6.783 1.00 10.00 N ATOM 598 CA GLU A 43 0.792 1.449 6.246 1.00 10.00 C ATOM 599 C GLU A 43 -0.484 1.960 5.574 1.00 10.00 C ATOM 600 O GLU A 43 -1.154 2.847 6.100 1.00 10.00 O ATOM 601 CB GLU A 43 0.466 0.428 7.338 1.00 10.00 C ATOM 602 CG GLU A 43 1.735 -0.268 7.835 1.00 10.00 C ATOM 603 CD GLU A 43 1.394 -1.405 8.800 1.00 10.00 C ATOM 604 OE1 GLU A 43 1.420 -2.580 8.407 1.00 10.00 O ATOM 605 OE2 GLU A 43 1.096 -1.032 9.998 1.00 10.00 O ATOM 0 H GLU A 43 1.003 3.274 7.254 1.00 10.00 H new ATOM 0 HA GLU A 43 1.399 0.945 5.494 1.00 10.00 H new ATOM 0 HB2 GLU A 43 -0.029 0.927 8.171 1.00 10.00 H new ATOM 0 HB3 GLU A 43 -0.232 -0.314 6.950 1.00 10.00 H new ATOM 0 HG2 GLU A 43 2.294 -0.662 6.986 1.00 10.00 H new ATOM 0 HG3 GLU A 43 2.380 0.456 8.333 1.00 10.00 H new ATOM 613 N GLY A 44 -0.783 1.377 4.422 1.00 10.00 N ATOM 614 CA GLY A 44 -1.963 1.767 3.670 1.00 10.00 C ATOM 615 C GLY A 44 -1.700 3.036 2.857 1.00 10.00 C ATOM 616 O GLY A 44 -2.567 3.903 2.755 1.00 10.00 O ATOM 0 H GLY A 44 -0.228 0.637 3.991 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -2.257 0.957 3.002 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.795 1.935 4.354 1.00 10.00 H new ATOM 620 N LEU A 45 -0.501 3.106 2.300 1.00 10.00 N ATOM 621 CA LEU A 45 -0.161 4.184 1.387 1.00 10.00 C ATOM 622 C LEU A 45 -0.781 3.901 0.017 1.00 10.00 C ATOM 623 O LEU A 45 -1.002 2.746 -0.342 1.00 10.00 O ATOM 624 CB LEU A 45 1.354 4.393 1.345 1.00 10.00 C ATOM 625 CG LEU A 45 2.029 4.681 2.687 1.00 10.00 C ATOM 626 CD1 LEU A 45 3.457 4.133 2.712 1.00 10.00 C ATOM 627 CD2 LEU A 45 1.983 6.175 3.015 1.00 10.00 C ATOM 0 H LEU A 45 0.248 2.433 2.463 1.00 10.00 H new ATOM 0 HA LEU A 45 -0.580 5.127 1.738 1.00 10.00 H new ATOM 0 HB2 LEU A 45 1.812 3.502 0.914 1.00 10.00 H new ATOM 0 HB3 LEU A 45 1.568 5.220 0.668 1.00 10.00 H new ATOM 0 HG LEU A 45 1.472 4.163 3.467 1.00 10.00 H new ATOM 0 HD11 LEU A 45 3.914 4.351 3.677 1.00 10.00 H new ATOM 0 HD12 LEU A 45 3.436 3.054 2.556 1.00 10.00 H new ATOM 0 HD13 LEU A 45 4.041 4.602 1.920 1.00 10.00 H new ATOM 0 HD21 LEU A 45 2.470 6.352 3.974 1.00 10.00 H new ATOM 0 HD22 LEU A 45 2.501 6.735 2.236 1.00 10.00 H new ATOM 0 HD23 LEU A 45 0.945 6.504 3.069 1.00 10.00 H new ATOM 639 N PRO A 46 -1.050 5.005 -0.731 1.00 10.00 N ATOM 640 CA PRO A 46 -1.273 4.902 -2.163 1.00 10.00 C ATOM 641 C PRO A 46 0.044 4.676 -2.908 1.00 10.00 C ATOM 642 O PRO A 46 1.113 5.017 -2.404 1.00 10.00 O ATOM 643 CB PRO A 46 -1.958 6.203 -2.549 1.00 10.00 C ATOM 644 CG PRO A 46 -1.676 7.175 -1.415 1.00 10.00 C ATOM 645 CD PRO A 46 -1.149 6.374 -0.235 1.00 10.00 C ATOM 0 HA PRO A 46 -1.892 4.046 -2.432 1.00 10.00 H new ATOM 0 HB2 PRO A 46 -1.571 6.583 -3.494 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -3.030 6.056 -2.680 1.00 10.00 H new ATOM 0 HG2 PRO A 46 -0.946 7.922 -1.726 1.00 10.00 H new ATOM 0 HG3 PRO A 46 -2.583 7.712 -1.138 1.00 10.00 H new ATOM 0 HD2 PRO A 46 -0.179 6.747 0.095 1.00 10.00 H new ATOM 0 HD3 PRO A 46 -1.823 6.438 0.619 1.00 10.00 H new ATOM 653 N GLU A 47 -0.076 4.103 -4.097 1.00 10.00 N ATOM 654 CA GLU A 47 1.077 3.534 -4.774 1.00 10.00 C ATOM 655 C GLU A 47 1.897 4.638 -5.444 1.00 10.00 C ATOM 656 O GLU A 47 3.021 4.402 -5.883 1.00 10.00 O ATOM 657 CB GLU A 47 0.648 2.475 -5.791 1.00 10.00 C ATOM 658 CG GLU A 47 0.017 1.269 -5.093 1.00 10.00 C ATOM 659 CD GLU A 47 -0.423 0.215 -6.111 1.00 10.00 C ATOM 660 OE1 GLU A 47 0.377 -0.653 -6.490 1.00 10.00 O ATOM 661 OE2 GLU A 47 -1.646 0.319 -6.511 1.00 10.00 O ATOM 0 H GLU A 47 -0.954 4.021 -4.609 1.00 10.00 H new ATOM 0 HA GLU A 47 1.705 3.043 -4.031 1.00 10.00 H new ATOM 0 HB2 GLU A 47 -0.065 2.907 -6.493 1.00 10.00 H new ATOM 0 HB3 GLU A 47 1.512 2.153 -6.372 1.00 10.00 H new ATOM 0 HG2 GLU A 47 0.733 0.831 -4.397 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -0.842 1.593 -4.505 1.00 10.00 H new ATOM 669 N ASN A 48 1.302 5.821 -5.503 1.00 10.00 N ATOM 670 CA ASN A 48 1.949 6.953 -6.142 1.00 10.00 C ATOM 671 C ASN A 48 3.077 7.465 -5.244 1.00 10.00 C ATOM 672 O ASN A 48 4.004 8.119 -5.718 1.00 10.00 O ATOM 673 CB ASN A 48 0.961 8.101 -6.361 1.00 10.00 C ATOM 674 CG ASN A 48 0.463 8.658 -5.026 1.00 10.00 C ATOM 675 OD1 ASN A 48 0.345 7.956 -4.036 1.00 10.00 O ATOM 676 ND2 ASN A 48 0.179 9.957 -5.055 1.00 10.00 N ATOM 0 H ASN A 48 0.378 6.019 -5.118 1.00 10.00 H new ATOM 0 HA ASN A 48 2.335 6.620 -7.106 1.00 10.00 H new ATOM 0 HB2 ASN A 48 1.441 8.894 -6.934 1.00 10.00 H new ATOM 0 HB3 ASN A 48 0.115 7.749 -6.951 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -0.160 10.424 -4.214 1.00 10.00 H new ATOM 0 HD22 ASN A 48 0.301 10.486 -5.918 1.00 10.00 H new ATOM 683 N ALA A 49 2.959 7.149 -3.963 1.00 10.00 N ATOM 684 CA ALA A 49 3.951 7.579 -2.992 1.00 10.00 C ATOM 685 C ALA A 49 5.155 6.637 -3.047 1.00 10.00 C ATOM 686 O ALA A 49 4.998 5.419 -2.985 1.00 10.00 O ATOM 687 CB ALA A 49 3.315 7.630 -1.601 1.00 10.00 C ATOM 0 H ALA A 49 2.192 6.600 -3.575 1.00 10.00 H new ATOM 0 HA ALA A 49 4.306 8.582 -3.226 1.00 10.00 H new ATOM 0 HB1 ALA A 49 4.059 7.952 -0.872 1.00 10.00 H new ATOM 0 HB2 ALA A 49 2.483 8.335 -1.607 1.00 10.00 H new ATOM 0 HB3 ALA A 49 2.949 6.639 -1.332 1.00 10.00 H new ATOM 693 N LYS A 50 6.331 7.238 -3.163 1.00 10.00 N ATOM 694 CA LYS A 50 7.563 6.469 -3.200 1.00 10.00 C ATOM 695 C LYS A 50 7.945 6.059 -1.777 1.00 10.00 C ATOM 696 O LYS A 50 7.938 6.885 -0.865 1.00 10.00 O ATOM 697 CB LYS A 50 8.659 7.248 -3.931 1.00 10.00 C ATOM 698 CG LYS A 50 9.891 6.372 -4.166 1.00 10.00 C ATOM 699 CD LYS A 50 10.930 6.578 -3.063 1.00 10.00 C ATOM 700 CE LYS A 50 12.090 5.592 -3.210 1.00 10.00 C ATOM 701 NZ LYS A 50 13.005 5.691 -2.051 1.00 10.00 N ATOM 0 H LYS A 50 6.456 8.248 -3.233 1.00 10.00 H new ATOM 0 HA LYS A 50 7.422 5.551 -3.770 1.00 10.00 H new ATOM 0 HB2 LYS A 50 8.278 7.609 -4.886 1.00 10.00 H new ATOM 0 HB3 LYS A 50 8.938 8.125 -3.347 1.00 10.00 H new ATOM 0 HG2 LYS A 50 9.595 5.324 -4.200 1.00 10.00 H new ATOM 0 HG3 LYS A 50 10.331 6.610 -5.134 1.00 10.00 H new ATOM 0 HD2 LYS A 50 11.309 7.599 -3.102 1.00 10.00 H new ATOM 0 HD3 LYS A 50 10.460 6.449 -2.088 1.00 10.00 H new ATOM 0 HE2 LYS A 50 11.703 4.576 -3.290 1.00 10.00 H new ATOM 0 HE3 LYS A 50 12.636 5.798 -4.131 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 13.787 5.015 -2.167 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.388 6.656 -1.992 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 12.484 5.472 -1.178 1.00 10.00 H new ATOM 714 N VAL A 51 8.270 4.782 -1.630 1.00 10.00 N ATOM 715 CA VAL A 51 8.638 4.248 -0.330 1.00 10.00 C ATOM 716 C VAL A 51 9.983 3.528 -0.441 1.00 10.00 C ATOM 717 O VAL A 51 10.327 3.007 -1.501 1.00 10.00 O ATOM 718 CB VAL A 51 7.520 3.348 0.201 1.00 10.00 C ATOM 719 CG1 VAL A 51 6.155 4.021 0.047 1.00 10.00 C ATOM 720 CG2 VAL A 51 7.540 1.983 -0.491 1.00 10.00 C ATOM 0 H VAL A 51 8.286 4.102 -2.390 1.00 10.00 H new ATOM 0 HA VAL A 51 8.760 5.054 0.393 1.00 10.00 H new ATOM 0 HB VAL A 51 7.696 3.187 1.265 1.00 10.00 H new ATOM 0 HG11 VAL A 51 5.378 3.360 0.432 1.00 10.00 H new ATOM 0 HG12 VAL A 51 6.146 4.957 0.606 1.00 10.00 H new ATOM 0 HG13 VAL A 51 5.967 4.226 -1.007 1.00 10.00 H new ATOM 0 HG21 VAL A 51 6.736 1.363 -0.095 1.00 10.00 H new ATOM 0 HG22 VAL A 51 7.401 2.117 -1.564 1.00 10.00 H new ATOM 0 HG23 VAL A 51 8.498 1.496 -0.307 1.00 10.00 H new ATOM 730 N SER A 52 10.709 3.523 0.668 1.00 10.00 N ATOM 731 CA SER A 52 11.789 2.568 0.851 1.00 10.00 C ATOM 732 C SER A 52 11.265 1.314 1.554 1.00 10.00 C ATOM 733 O SER A 52 10.276 1.374 2.283 1.00 10.00 O ATOM 734 CB SER A 52 12.939 3.184 1.650 1.00 10.00 C ATOM 735 OG SER A 52 13.907 2.209 2.030 1.00 10.00 O ATOM 0 H SER A 52 10.570 4.165 1.448 1.00 10.00 H new ATOM 0 HA SER A 52 12.172 2.292 -0.131 1.00 10.00 H new ATOM 0 HB2 SER A 52 13.420 3.960 1.054 1.00 10.00 H new ATOM 0 HB3 SER A 52 12.542 3.668 2.542 1.00 10.00 H new ATOM 0 HG SER A 52 14.535 2.067 1.291 1.00 10.00 H new ATOM 741 N ASP A 53 11.952 0.208 1.311 1.00 10.00 N ATOM 742 CA ASP A 53 11.868 -0.937 2.203 1.00 10.00 C ATOM 743 C ASP A 53 13.280 -1.411 2.552 1.00 10.00 C ATOM 744 O ASP A 53 13.508 -2.604 2.745 1.00 10.00 O ATOM 745 CB ASP A 53 11.129 -2.100 1.538 1.00 10.00 C ATOM 746 CG ASP A 53 11.787 -2.642 0.267 1.00 10.00 C ATOM 747 OD1 ASP A 53 11.568 -2.121 -0.837 1.00 10.00 O ATOM 748 OD2 ASP A 53 12.565 -3.655 0.445 1.00 10.00 O ATOM 0 H ASP A 53 12.570 0.080 0.509 1.00 10.00 H new ATOM 0 HA ASP A 53 11.325 -0.629 3.097 1.00 10.00 H new ATOM 0 HB2 ASP A 53 11.040 -2.913 2.258 1.00 10.00 H new ATOM 0 HB3 ASP A 53 10.117 -1.776 1.295 1.00 10.00 H new ATOM 754 N SER A 54 14.191 -0.451 2.622 1.00 10.00 N ATOM 755 CA SER A 54 15.608 -0.768 2.687 1.00 10.00 C ATOM 756 C SER A 54 16.231 -0.131 3.930 1.00 10.00 C ATOM 757 O SER A 54 17.280 0.506 3.847 1.00 10.00 O ATOM 758 CB SER A 54 16.336 -0.295 1.427 1.00 10.00 C ATOM 759 OG SER A 54 16.009 1.052 1.096 1.00 10.00 O ATOM 0 H SER A 54 13.976 0.546 2.635 1.00 10.00 H new ATOM 0 HA SER A 54 15.713 -1.851 2.751 1.00 10.00 H new ATOM 0 HB2 SER A 54 17.412 -0.381 1.576 1.00 10.00 H new ATOM 0 HB3 SER A 54 16.077 -0.947 0.592 1.00 10.00 H new ATOM 0 HG SER A 54 16.730 1.646 1.392 1.00 10.00 H new ATOM 765 N ALA A 55 15.558 -0.325 5.055 1.00 10.00 N ATOM 766 CA ALA A 55 16.173 -0.075 6.348 1.00 10.00 C ATOM 767 C ALA A 55 16.601 1.392 6.428 1.00 10.00 C ATOM 768 O ALA A 55 17.673 1.702 6.944 1.00 10.00 O ATOM 769 CB ALA A 55 17.346 -1.036 6.550 1.00 10.00 C ATOM 0 H ALA A 55 14.593 -0.652 5.098 1.00 10.00 H new ATOM 0 HA ALA A 55 15.461 -0.256 7.153 1.00 10.00 H new ATOM 0 HB1 ALA A 55 17.807 -0.848 7.520 1.00 10.00 H new ATOM 0 HB2 ALA A 55 16.985 -2.064 6.513 1.00 10.00 H new ATOM 0 HB3 ALA A 55 18.083 -0.881 5.762 1.00 10.00 H new ATOM 775 N THR A 56 15.740 2.256 5.910 1.00 10.00 N ATOM 776 CA THR A 56 15.913 3.687 6.095 1.00 10.00 C ATOM 777 C THR A 56 17.294 4.125 5.603 1.00 10.00 C ATOM 778 O THR A 56 18.161 4.469 6.404 1.00 10.00 O ATOM 779 CB THR A 56 15.663 4.007 7.570 1.00 10.00 C ATOM 780 OG1 THR A 56 14.343 3.528 7.810 1.00 10.00 O ATOM 781 CG2 THR A 56 15.567 5.511 7.834 1.00 10.00 C ATOM 0 H THR A 56 14.921 1.993 5.362 1.00 10.00 H new ATOM 0 HA THR A 56 15.196 4.252 5.499 1.00 10.00 H new ATOM 0 HB THR A 56 16.464 3.582 8.175 1.00 10.00 H new ATOM 0 HG1 THR A 56 13.896 4.112 8.458 1.00 10.00 H new ATOM 0 HG21 THR A 56 15.389 5.683 8.895 1.00 10.00 H new ATOM 0 HG22 THR A 56 16.500 5.992 7.539 1.00 10.00 H new ATOM 0 HG23 THR A 56 14.744 5.930 7.255 1.00 10.00 H new ATOM 789 N ASN A 57 17.455 4.097 4.288 1.00 10.00 N ATOM 790 CA ASN A 57 18.745 4.384 3.686 1.00 10.00 C ATOM 791 C ASN A 57 18.865 5.890 3.440 1.00 10.00 C ATOM 792 O ASN A 57 19.953 6.393 3.167 1.00 10.00 O ATOM 793 CB ASN A 57 18.896 3.672 2.341 1.00 10.00 C ATOM 794 CG ASN A 57 17.938 4.254 1.301 1.00 10.00 C ATOM 795 OD1 ASN A 57 16.758 3.642 1.249 1.00 10.00 O flip ATOM 796 ND2 ASN A 57 18.248 5.198 0.592 1.00 10.00 N flip ATOM 0 H ASN A 57 16.713 3.880 3.623 1.00 10.00 H new ATOM 0 HA ASN A 57 19.520 4.034 4.368 1.00 10.00 H new ATOM 0 HB2 ASN A 57 19.923 3.768 1.988 1.00 10.00 H new ATOM 0 HB3 ASN A 57 18.700 2.607 2.465 1.00 10.00 H new ATOM 0 HD21 ASN A 57 19.171 5.622 0.683 1.00 10.00 H new ATOM 0 HD22 ASN A 57 17.584 5.562 -0.091 1.00 10.00 H new ATOM 803 N ILE A 58 17.730 6.566 3.544 1.00 10.00 N ATOM 804 CA ILE A 58 17.696 8.006 3.351 1.00 10.00 C ATOM 805 C ILE A 58 17.788 8.701 4.711 1.00 10.00 C ATOM 806 O ILE A 58 17.099 8.318 5.655 1.00 10.00 O ATOM 807 CB ILE A 58 16.465 8.408 2.536 1.00 10.00 C ATOM 808 CG1 ILE A 58 16.391 7.619 1.228 1.00 10.00 C ATOM 809 CG2 ILE A 58 16.437 9.919 2.297 1.00 10.00 C ATOM 810 CD1 ILE A 58 15.215 8.089 0.369 1.00 10.00 C ATOM 0 H ILE A 58 16.827 6.143 3.759 1.00 10.00 H new ATOM 0 HA ILE A 58 18.557 8.333 2.767 1.00 10.00 H new ATOM 0 HB ILE A 58 15.575 8.156 3.113 1.00 10.00 H new ATOM 0 HG12 ILE A 58 17.322 7.739 0.674 1.00 10.00 H new ATOM 0 HG13 ILE A 58 16.285 6.556 1.446 1.00 10.00 H new ATOM 0 HG21 ILE A 58 15.552 10.179 1.716 1.00 10.00 H new ATOM 0 HG22 ILE A 58 16.407 10.438 3.255 1.00 10.00 H new ATOM 0 HG23 ILE A 58 17.331 10.217 1.750 1.00 10.00 H new ATOM 0 HD11 ILE A 58 15.186 7.512 -0.555 1.00 10.00 H new ATOM 0 HD12 ILE A 58 14.284 7.945 0.917 1.00 10.00 H new ATOM 0 HD13 ILE A 58 15.337 9.146 0.133 1.00 10.00 H new ATOM 822 N CYS A 59 18.645 9.710 4.767 1.00 10.00 N ATOM 823 CA CYS A 59 19.221 10.133 6.032 1.00 10.00 C ATOM 824 C CYS A 59 19.774 8.897 6.745 1.00 10.00 C ATOM 825 O CYS A 59 20.965 8.604 6.653 1.00 10.00 O ATOM 826 CB CYS A 59 18.203 10.882 6.895 1.00 10.00 C ATOM 827 SG CYS A 59 18.027 12.661 6.504 1.00 10.00 S ATOM 0 H CYS A 59 18.954 10.247 3.957 1.00 10.00 H new ATOM 0 HA CYS A 59 20.031 10.838 5.848 1.00 10.00 H new ATOM 0 HB2 CYS A 59 17.231 10.402 6.784 1.00 10.00 H new ATOM 0 HB3 CYS A 59 18.491 10.781 7.941 1.00 10.00 H new ATOM 832 N GLY A 60 18.883 8.206 7.440 1.00 10.00 N ATOM 833 CA GLY A 60 19.291 7.103 8.293 1.00 10.00 C ATOM 834 C GLY A 60 20.211 7.589 9.415 1.00 10.00 C ATOM 835 O GLY A 60 19.759 8.245 10.353 1.00 10.00 O ATOM 0 H GLY A 60 17.880 8.389 7.430 1.00 10.00 H new ATOM 0 HA2 GLY A 60 18.410 6.625 8.722 1.00 10.00 H new ATOM 0 HA3 GLY A 60 19.805 6.349 7.697 1.00 10.00 H new TER 839 GLY A 60