USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 861 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 Single : A 1 MET CE :methyl -144:sc= 0 (180deg=-0.668) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 85:sc= 0.55 USER MOD Single : A 10 ASN : amide:sc= -2.25 K(o=-2.3,f=-0.0098) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= -0.0251 (180deg=-0.178) USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= 1.23 (180deg=0.917) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 1.18 (180deg=0.742) USER MOD Single : A 21 MET CE :methyl -153:sc= -0.174 (180deg=-0.909) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0328 (180deg=-0.283) USER MOD Single : A 26 ASN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 31 THR OG1 : rot 31:sc= 0.336 USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= -0.0155 (180deg=-0.144) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= -1.52! (180deg=-2.95!) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0.86 (180deg=0.823) USER MOD Single : A 41 TYR OH : rot -137:sc= 0.0363 USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00445) USER MOD Single : A 49 SER OG : rot -19:sc= 0.764 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 145:sc= 1.19 (180deg=-0.42) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.434 K(o=0.43,f=-0.2) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= 2.32 (180deg=1.89) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 73 LYS NZ :NH3+ -131:sc= -1.19 (180deg=-2.18!) USER MOD Single : A 74 MET CE :methyl 132:sc= -0.688 (180deg=-2.54!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.17) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.602 17.305 4.318 1.00 64.51 N ATOM 2 CA MET A 1 -1.209 16.140 3.618 1.00 23.01 C ATOM 3 C MET A 1 -0.506 14.837 4.044 1.00 14.01 C ATOM 4 O MET A 1 0.721 14.798 4.138 1.00 74.41 O ATOM 5 CB MET A 1 -1.095 16.332 2.099 1.00 73.04 C ATOM 6 CG MET A 1 -2.049 15.463 1.290 1.00 32.54 C ATOM 7 SD MET A 1 -3.780 15.862 1.620 1.00 73.42 S ATOM 8 CE MET A 1 -4.615 14.780 0.460 1.00 72.15 C ATOM 0 H1 MET A 1 -1.085 18.178 4.022 1.00 64.51 H new ATOM 0 H2 MET A 1 -0.704 17.184 5.346 1.00 64.51 H new ATOM 0 H3 MET A 1 0.407 17.368 4.075 1.00 64.51 H new ATOM 0 HA MET A 1 -2.262 16.070 3.890 1.00 23.01 H new ATOM 0 HB2 MET A 1 -1.283 17.379 1.861 1.00 73.04 H new ATOM 0 HB3 MET A 1 -0.072 16.114 1.792 1.00 73.04 H new ATOM 0 HG2 MET A 1 -1.844 15.593 0.227 1.00 32.54 H new ATOM 0 HG3 MET A 1 -1.869 14.414 1.523 1.00 32.54 H new ATOM 0 HE1 MET A 1 -5.499 15.281 0.067 1.00 72.15 H new ATOM 0 HE2 MET A 1 -3.940 14.537 -0.361 1.00 72.15 H new ATOM 0 HE3 MET A 1 -4.914 13.863 0.968 1.00 72.15 H new ATOM 20 N LEU A 2 -1.275 13.773 4.301 1.00 72.21 N ATOM 21 CA LEU A 2 -0.696 12.510 4.794 1.00 42.14 C ATOM 22 C LEU A 2 -0.602 11.449 3.687 1.00 43.11 C ATOM 23 O LEU A 2 -1.551 11.237 2.934 1.00 34.04 O ATOM 24 CB LEU A 2 -1.512 11.955 5.972 1.00 22.04 C ATOM 25 CG LEU A 2 -1.666 12.900 7.180 1.00 73.40 C ATOM 26 CD1 LEU A 2 -2.811 13.888 6.966 1.00 12.42 C ATOM 27 CD2 LEU A 2 -1.859 12.103 8.469 1.00 32.23 C ATOM 0 H LEU A 2 -2.288 13.756 4.179 1.00 72.21 H new ATOM 0 HA LEU A 2 0.315 12.739 5.132 1.00 42.14 H new ATOM 0 HB2 LEU A 2 -2.506 11.692 5.610 1.00 22.04 H new ATOM 0 HB3 LEU A 2 -1.043 11.032 6.313 1.00 22.04 H new ATOM 0 HG LEU A 2 -0.747 13.478 7.275 1.00 73.40 H new ATOM 0 HD11 LEU A 2 -2.895 14.541 7.835 1.00 12.42 H new ATOM 0 HD12 LEU A 2 -2.612 14.488 6.078 1.00 12.42 H new ATOM 0 HD13 LEU A 2 -3.744 13.340 6.832 1.00 12.42 H new ATOM 0 HD21 LEU A 2 -1.966 12.790 9.309 1.00 32.23 H new ATOM 0 HD22 LEU A 2 -2.756 11.489 8.386 1.00 32.23 H new ATOM 0 HD23 LEU A 2 -0.994 11.461 8.633 1.00 32.23 H new ATOM 39 N LEU A 3 0.545 10.774 3.613 1.00 23.04 N ATOM 40 CA LEU A 3 0.794 9.756 2.584 1.00 2.04 C ATOM 41 C LEU A 3 1.290 8.437 3.214 1.00 11.12 C ATOM 42 O LEU A 3 2.303 8.416 3.917 1.00 45.11 O ATOM 43 CB LEU A 3 1.831 10.281 1.576 1.00 4.14 C ATOM 44 CG LEU A 3 1.439 11.567 0.819 1.00 64.30 C ATOM 45 CD1 LEU A 3 2.588 12.051 -0.061 1.00 33.13 C ATOM 46 CD2 LEU A 3 0.188 11.338 -0.018 1.00 72.32 C ATOM 0 H LEU A 3 1.324 10.913 4.257 1.00 23.04 H new ATOM 0 HA LEU A 3 -0.144 9.552 2.069 1.00 2.04 H new ATOM 0 HB2 LEU A 3 2.765 10.465 2.107 1.00 4.14 H new ATOM 0 HB3 LEU A 3 2.028 9.497 0.845 1.00 4.14 H new ATOM 0 HG LEU A 3 1.224 12.340 1.556 1.00 64.30 H new ATOM 0 HD11 LEU A 3 2.288 12.959 -0.585 1.00 33.13 H new ATOM 0 HD12 LEU A 3 3.458 12.261 0.560 1.00 33.13 H new ATOM 0 HD13 LEU A 3 2.839 11.279 -0.788 1.00 33.13 H new ATOM 0 HD21 LEU A 3 -0.071 12.257 -0.544 1.00 72.32 H new ATOM 0 HD22 LEU A 3 0.375 10.546 -0.743 1.00 72.32 H new ATOM 0 HD23 LEU A 3 -0.637 11.047 0.633 1.00 72.32 H new ATOM 58 N TYR A 4 0.564 7.346 2.970 1.00 3.41 N ATOM 59 CA TYR A 4 0.921 6.022 3.509 1.00 2.40 C ATOM 60 C TYR A 4 0.973 4.961 2.398 1.00 21.11 C ATOM 61 O TYR A 4 0.371 5.134 1.340 1.00 31.40 O ATOM 62 CB TYR A 4 -0.094 5.595 4.581 1.00 64.12 C ATOM 63 CG TYR A 4 -0.058 6.437 5.847 1.00 72.40 C ATOM 64 CD1 TYR A 4 -0.665 7.688 5.902 1.00 72.52 C ATOM 65 CD2 TYR A 4 0.582 5.974 6.991 1.00 10.41 C ATOM 66 CE1 TYR A 4 -0.632 8.450 7.056 1.00 73.11 C ATOM 67 CE2 TYR A 4 0.616 6.729 8.148 1.00 72.11 C ATOM 68 CZ TYR A 4 0.009 7.964 8.176 1.00 4.31 C ATOM 69 OH TYR A 4 0.043 8.718 9.325 1.00 43.03 O ATOM 0 H TYR A 4 -0.281 7.348 2.399 1.00 3.41 H new ATOM 0 HA TYR A 4 1.912 6.101 3.955 1.00 2.40 H new ATOM 0 HB2 TYR A 4 -1.096 5.643 4.155 1.00 64.12 H new ATOM 0 HB3 TYR A 4 0.091 4.554 4.846 1.00 64.12 H new ATOM 0 HD1 TYR A 4 -1.171 8.071 5.028 1.00 72.52 H new ATOM 0 HD2 TYR A 4 1.061 5.006 6.975 1.00 10.41 H new ATOM 0 HE1 TYR A 4 -1.106 9.420 7.080 1.00 73.11 H new ATOM 0 HE2 TYR A 4 1.117 6.351 9.027 1.00 72.11 H new ATOM 0 HH TYR A 4 0.532 8.232 10.021 1.00 43.03 H new ATOM 79 N VAL A 5 1.691 3.863 2.644 1.00 53.51 N ATOM 80 CA VAL A 5 1.821 2.776 1.659 1.00 33.01 C ATOM 81 C VAL A 5 1.684 1.386 2.317 1.00 10.25 C ATOM 82 O VAL A 5 2.309 1.100 3.342 1.00 21.22 O ATOM 83 CB VAL A 5 3.185 2.844 0.913 1.00 13.41 C ATOM 84 CG1 VAL A 5 3.294 1.732 -0.134 1.00 22.23 C ATOM 85 CG2 VAL A 5 3.401 4.215 0.269 1.00 64.22 C ATOM 0 H VAL A 5 2.193 3.699 3.516 1.00 53.51 H new ATOM 0 HA VAL A 5 1.009 2.913 0.945 1.00 33.01 H new ATOM 0 HB VAL A 5 3.971 2.695 1.653 1.00 13.41 H new ATOM 0 HG11 VAL A 5 4.257 1.802 -0.641 1.00 22.23 H new ATOM 0 HG12 VAL A 5 3.212 0.762 0.356 1.00 22.23 H new ATOM 0 HG13 VAL A 5 2.491 1.839 -0.864 1.00 22.23 H new ATOM 0 HG21 VAL A 5 4.363 4.229 -0.244 1.00 64.22 H new ATOM 0 HG22 VAL A 5 2.604 4.409 -0.449 1.00 64.22 H new ATOM 0 HG23 VAL A 5 3.390 4.985 1.040 1.00 64.22 H new ATOM 95 N LEU A 6 0.861 0.528 1.720 1.00 50.32 N ATOM 96 CA LEU A 6 0.711 -0.867 2.157 1.00 31.34 C ATOM 97 C LEU A 6 1.083 -1.824 1.016 1.00 44.41 C ATOM 98 O LEU A 6 0.595 -1.682 -0.105 1.00 31.35 O ATOM 99 CB LEU A 6 -0.733 -1.146 2.605 1.00 44.44 C ATOM 100 CG LEU A 6 -1.223 -0.353 3.828 1.00 73.23 C ATOM 101 CD1 LEU A 6 -2.669 -0.723 4.157 1.00 5.45 C ATOM 102 CD2 LEU A 6 -0.319 -0.599 5.035 1.00 51.20 C ATOM 0 H LEU A 6 0.278 0.775 0.920 1.00 50.32 H new ATOM 0 HA LEU A 6 1.381 -1.030 3.001 1.00 31.34 H new ATOM 0 HB2 LEU A 6 -1.399 -0.935 1.769 1.00 44.44 H new ATOM 0 HB3 LEU A 6 -0.825 -2.210 2.825 1.00 44.44 H new ATOM 0 HG LEU A 6 -1.182 0.709 3.585 1.00 73.23 H new ATOM 0 HD11 LEU A 6 -3.002 -0.154 5.025 1.00 5.45 H new ATOM 0 HD12 LEU A 6 -3.307 -0.491 3.304 1.00 5.45 H new ATOM 0 HD13 LEU A 6 -2.731 -1.789 4.377 1.00 5.45 H new ATOM 0 HD21 LEU A 6 -0.686 -0.027 5.887 1.00 51.20 H new ATOM 0 HD22 LEU A 6 -0.322 -1.661 5.282 1.00 51.20 H new ATOM 0 HD23 LEU A 6 0.698 -0.285 4.798 1.00 51.20 H new ATOM 114 N ILE A 7 1.942 -2.798 1.298 1.00 3.33 N ATOM 115 CA ILE A 7 2.369 -3.762 0.277 1.00 11.24 C ATOM 116 C ILE A 7 1.934 -5.199 0.622 1.00 31.21 C ATOM 117 O ILE A 7 2.265 -5.727 1.685 1.00 11.03 O ATOM 118 CB ILE A 7 3.905 -3.712 0.056 1.00 12.22 C ATOM 119 CG1 ILE A 7 4.331 -4.735 -1.012 1.00 25.44 C ATOM 120 CG2 ILE A 7 4.662 -3.937 1.368 1.00 42.52 C ATOM 121 CD1 ILE A 7 5.806 -4.691 -1.350 1.00 25.24 C ATOM 0 H ILE A 7 2.357 -2.945 2.218 1.00 3.33 H new ATOM 0 HA ILE A 7 1.873 -3.471 -0.649 1.00 11.24 H new ATOM 0 HB ILE A 7 4.163 -2.716 -0.304 1.00 12.22 H new ATOM 0 HG12 ILE A 7 4.078 -5.736 -0.663 1.00 25.44 H new ATOM 0 HG13 ILE A 7 3.755 -4.559 -1.920 1.00 25.44 H new ATOM 0 HG21 ILE A 7 5.735 -3.896 1.181 1.00 42.52 H new ATOM 0 HG22 ILE A 7 4.389 -3.161 2.083 1.00 42.52 H new ATOM 0 HG23 ILE A 7 4.402 -4.914 1.775 1.00 42.52 H new ATOM 0 HD11 ILE A 7 6.028 -5.441 -2.109 1.00 25.24 H new ATOM 0 HD12 ILE A 7 6.063 -3.702 -1.730 1.00 25.24 H new ATOM 0 HD13 ILE A 7 6.391 -4.898 -0.454 1.00 25.24 H new ATOM 133 N ILE A 8 1.175 -5.817 -0.282 1.00 73.42 N ATOM 134 CA ILE A 8 0.723 -7.199 -0.108 1.00 5.42 C ATOM 135 C ILE A 8 1.476 -8.146 -1.062 1.00 40.41 C ATOM 136 O ILE A 8 1.182 -8.208 -2.260 1.00 34.44 O ATOM 137 CB ILE A 8 -0.802 -7.317 -0.380 1.00 33.20 C ATOM 138 CG1 ILE A 8 -1.574 -6.251 0.423 1.00 73.42 C ATOM 139 CG2 ILE A 8 -1.301 -8.723 -0.037 1.00 63.51 C ATOM 140 CD1 ILE A 8 -3.062 -6.214 0.135 1.00 1.24 C ATOM 0 H ILE A 8 0.858 -5.380 -1.148 1.00 73.42 H new ATOM 0 HA ILE A 8 0.931 -7.485 0.923 1.00 5.42 H new ATOM 0 HB ILE A 8 -0.981 -7.143 -1.441 1.00 33.20 H new ATOM 0 HG12 ILE A 8 -1.426 -6.435 1.487 1.00 73.42 H new ATOM 0 HG13 ILE A 8 -1.149 -5.271 0.207 1.00 73.42 H new ATOM 0 HG21 ILE A 8 -2.371 -8.787 -0.234 1.00 63.51 H new ATOM 0 HG22 ILE A 8 -0.775 -9.455 -0.649 1.00 63.51 H new ATOM 0 HG23 ILE A 8 -1.113 -8.929 1.017 1.00 63.51 H new ATOM 0 HD11 ILE A 8 -3.531 -5.438 0.740 1.00 1.24 H new ATOM 0 HD12 ILE A 8 -3.223 -5.998 -0.921 1.00 1.24 H new ATOM 0 HD13 ILE A 8 -3.504 -7.180 0.379 1.00 1.24 H new ATOM 152 N SER A 9 2.448 -8.878 -0.523 1.00 54.55 N ATOM 153 CA SER A 9 3.241 -9.827 -1.317 1.00 30.54 C ATOM 154 C SER A 9 3.970 -10.835 -0.427 1.00 3.11 C ATOM 155 O SER A 9 4.152 -10.608 0.770 1.00 4.42 O ATOM 156 CB SER A 9 4.266 -9.093 -2.195 1.00 70.02 C ATOM 157 OG SER A 9 5.129 -10.016 -2.848 1.00 54.14 O ATOM 0 H SER A 9 2.710 -8.835 0.462 1.00 54.55 H new ATOM 0 HA SER A 9 2.541 -10.365 -1.955 1.00 30.54 H new ATOM 0 HB2 SER A 9 3.747 -8.487 -2.937 1.00 70.02 H new ATOM 0 HB3 SER A 9 4.854 -8.411 -1.581 1.00 70.02 H new ATOM 0 HG SER A 9 4.708 -10.328 -3.676 1.00 54.14 H new ATOM 163 N ASN A 10 4.384 -11.953 -1.017 1.00 20.15 N ATOM 164 CA ASN A 10 5.222 -12.939 -0.323 1.00 15.14 C ATOM 165 C ASN A 10 6.690 -12.824 -0.772 1.00 11.12 C ATOM 166 O ASN A 10 7.579 -13.447 -0.190 1.00 25.32 O ATOM 167 CB ASN A 10 4.709 -14.366 -0.583 1.00 31.40 C ATOM 168 CG ASN A 10 3.445 -14.713 0.190 1.00 4.11 C ATOM 169 OD1 ASN A 10 3.222 -15.866 0.540 1.00 24.14 O ATOM 170 ND2 ASN A 10 2.602 -13.737 0.456 1.00 63.30 N ATOM 0 H ASN A 10 4.154 -12.204 -1.979 1.00 20.15 H new ATOM 0 HA ASN A 10 5.165 -12.731 0.746 1.00 15.14 H new ATOM 0 HB2 ASN A 10 4.516 -14.484 -1.649 1.00 31.40 H new ATOM 0 HB3 ASN A 10 5.492 -15.077 -0.320 1.00 31.40 H new ATOM 0 HD21 ASN A 10 1.740 -13.932 0.965 1.00 63.30 H new ATOM 0 HD22 ASN A 10 2.811 -12.786 0.153 1.00 63.30 H new ATOM 177 N ASP A 11 6.933 -12.020 -1.808 1.00 74.45 N ATOM 178 CA ASP A 11 8.276 -11.868 -2.379 1.00 44.33 C ATOM 179 C ASP A 11 9.125 -10.889 -1.553 1.00 54.32 C ATOM 180 O ASP A 11 8.948 -9.672 -1.632 1.00 35.55 O ATOM 181 CB ASP A 11 8.173 -11.395 -3.829 1.00 73.04 C ATOM 182 CG ASP A 11 7.262 -12.292 -4.645 1.00 2.32 C ATOM 183 OD1 ASP A 11 7.704 -13.392 -5.038 1.00 34.51 O ATOM 184 OD2 ASP A 11 6.095 -11.911 -4.880 1.00 74.20 O ATOM 0 H ASP A 11 6.216 -11.462 -2.271 1.00 74.45 H new ATOM 0 HA ASP A 11 8.771 -12.839 -2.354 1.00 44.33 H new ATOM 0 HB2 ASP A 11 7.795 -10.373 -3.853 1.00 73.04 H new ATOM 0 HB3 ASP A 11 9.166 -11.378 -4.278 1.00 73.04 H new ATOM 189 N LYS A 12 10.055 -11.432 -0.774 1.00 54.24 N ATOM 190 CA LYS A 12 10.856 -10.636 0.163 1.00 42.14 C ATOM 191 C LYS A 12 11.667 -9.539 -0.547 1.00 74.15 C ATOM 192 O LYS A 12 11.663 -8.384 -0.124 1.00 31.31 O ATOM 193 CB LYS A 12 11.796 -11.554 0.953 1.00 34.20 C ATOM 194 CG LYS A 12 11.083 -12.709 1.653 1.00 52.02 C ATOM 195 CD LYS A 12 10.025 -12.217 2.638 1.00 21.43 C ATOM 196 CE LYS A 12 9.285 -13.374 3.299 1.00 32.10 C ATOM 197 NZ LYS A 12 10.202 -14.263 4.062 1.00 44.24 N ATOM 0 H LYS A 12 10.277 -12.427 -0.770 1.00 54.24 H new ATOM 0 HA LYS A 12 10.165 -10.138 0.843 1.00 42.14 H new ATOM 0 HB2 LYS A 12 12.547 -11.960 0.275 1.00 34.20 H new ATOM 0 HB3 LYS A 12 12.326 -10.961 1.698 1.00 34.20 H new ATOM 0 HG2 LYS A 12 10.613 -13.350 0.907 1.00 52.02 H new ATOM 0 HG3 LYS A 12 11.815 -13.319 2.182 1.00 52.02 H new ATOM 0 HD2 LYS A 12 10.499 -11.604 3.404 1.00 21.43 H new ATOM 0 HD3 LYS A 12 9.311 -11.580 2.116 1.00 21.43 H new ATOM 0 HE2 LYS A 12 8.522 -12.979 3.970 1.00 32.10 H new ATOM 0 HE3 LYS A 12 8.768 -13.956 2.536 1.00 32.10 H new ATOM 0 HZ1 LYS A 12 9.644 -14.932 4.630 1.00 44.24 H new ATOM 0 HZ2 LYS A 12 10.805 -14.791 3.399 1.00 44.24 H new ATOM 0 HZ3 LYS A 12 10.799 -13.689 4.691 1.00 44.24 H new ATOM 211 N LYS A 13 12.352 -9.901 -1.631 1.00 44.00 N ATOM 212 CA LYS A 13 13.173 -8.939 -2.382 1.00 30.53 C ATOM 213 C LYS A 13 12.315 -7.828 -3.009 1.00 52.50 C ATOM 214 O LYS A 13 12.749 -6.679 -3.118 1.00 60.33 O ATOM 215 CB LYS A 13 13.997 -9.664 -3.458 1.00 31.10 C ATOM 216 CG LYS A 13 14.978 -10.679 -2.877 1.00 72.04 C ATOM 217 CD LYS A 13 15.920 -10.030 -1.863 1.00 5.40 C ATOM 218 CE LYS A 13 16.731 -11.058 -1.086 1.00 0.53 C ATOM 219 NZ LYS A 13 17.477 -10.434 0.041 1.00 22.42 N ATOM 0 H LYS A 13 12.358 -10.847 -2.011 1.00 44.00 H new ATOM 0 HA LYS A 13 13.857 -8.464 -1.678 1.00 30.53 H new ATOM 0 HB2 LYS A 13 13.320 -10.173 -4.144 1.00 31.10 H new ATOM 0 HB3 LYS A 13 14.549 -8.928 -4.042 1.00 31.10 H new ATOM 0 HG2 LYS A 13 14.426 -11.487 -2.397 1.00 72.04 H new ATOM 0 HG3 LYS A 13 15.561 -11.126 -3.683 1.00 72.04 H new ATOM 0 HD2 LYS A 13 16.598 -9.353 -2.382 1.00 5.40 H new ATOM 0 HD3 LYS A 13 15.339 -9.426 -1.166 1.00 5.40 H new ATOM 0 HE2 LYS A 13 16.065 -11.829 -0.699 1.00 0.53 H new ATOM 0 HE3 LYS A 13 17.433 -11.551 -1.758 1.00 0.53 H new ATOM 0 HZ1 LYS A 13 17.571 -11.120 0.817 1.00 22.42 H new ATOM 0 HZ2 LYS A 13 18.422 -10.148 -0.285 1.00 22.42 H new ATOM 0 HZ3 LYS A 13 16.960 -9.598 0.379 1.00 22.42 H new ATOM 233 N LEU A 14 11.093 -8.176 -3.404 1.00 72.22 N ATOM 234 CA LEU A 14 10.141 -7.193 -3.933 1.00 72.22 C ATOM 235 C LEU A 14 9.706 -6.226 -2.817 1.00 32.42 C ATOM 236 O LEU A 14 9.601 -5.015 -3.028 1.00 15.42 O ATOM 237 CB LEU A 14 8.931 -7.924 -4.551 1.00 24.23 C ATOM 238 CG LEU A 14 7.902 -7.051 -5.304 1.00 74.42 C ATOM 239 CD1 LEU A 14 7.184 -7.874 -6.374 1.00 54.11 C ATOM 240 CD2 LEU A 14 6.878 -6.445 -4.344 1.00 72.20 C ATOM 0 H LEU A 14 10.735 -9.131 -3.369 1.00 72.22 H new ATOM 0 HA LEU A 14 10.619 -6.604 -4.716 1.00 72.22 H new ATOM 0 HB2 LEU A 14 9.306 -8.679 -5.242 1.00 24.23 H new ATOM 0 HB3 LEU A 14 8.409 -8.453 -3.753 1.00 24.23 H new ATOM 0 HG LEU A 14 8.447 -6.237 -5.782 1.00 74.42 H new ATOM 0 HD11 LEU A 14 6.463 -7.244 -6.895 1.00 54.11 H new ATOM 0 HD12 LEU A 14 7.913 -8.258 -7.088 1.00 54.11 H new ATOM 0 HD13 LEU A 14 6.664 -8.708 -5.903 1.00 54.11 H new ATOM 0 HD21 LEU A 14 6.169 -5.837 -4.905 1.00 72.20 H new ATOM 0 HD22 LEU A 14 6.344 -7.244 -3.830 1.00 72.20 H new ATOM 0 HD23 LEU A 14 7.391 -5.822 -3.611 1.00 72.20 H new ATOM 252 N ILE A 15 9.469 -6.775 -1.625 1.00 52.02 N ATOM 253 CA ILE A 15 9.129 -5.969 -0.449 1.00 70.32 C ATOM 254 C ILE A 15 10.302 -5.062 -0.032 1.00 73.35 C ATOM 255 O ILE A 15 10.104 -3.892 0.310 1.00 42.11 O ATOM 256 CB ILE A 15 8.725 -6.871 0.750 1.00 75.14 C ATOM 257 CG1 ILE A 15 7.484 -7.709 0.397 1.00 62.30 C ATOM 258 CG2 ILE A 15 8.476 -6.036 2.008 1.00 53.10 C ATOM 259 CD1 ILE A 15 7.074 -8.687 1.480 1.00 13.10 C ATOM 0 H ILE A 15 9.506 -7.779 -1.447 1.00 52.02 H new ATOM 0 HA ILE A 15 8.281 -5.343 -0.726 1.00 70.32 H new ATOM 0 HB ILE A 15 9.552 -7.549 0.959 1.00 75.14 H new ATOM 0 HG12 ILE A 15 6.650 -7.037 0.193 1.00 62.30 H new ATOM 0 HG13 ILE A 15 7.680 -8.261 -0.522 1.00 62.30 H new ATOM 0 HG21 ILE A 15 8.195 -6.693 2.831 1.00 53.10 H new ATOM 0 HG22 ILE A 15 9.384 -5.494 2.270 1.00 53.10 H new ATOM 0 HG23 ILE A 15 7.671 -5.326 1.820 1.00 53.10 H new ATOM 0 HD11 ILE A 15 6.192 -9.240 1.156 1.00 13.10 H new ATOM 0 HD12 ILE A 15 7.890 -9.384 1.669 1.00 13.10 H new ATOM 0 HD13 ILE A 15 6.844 -8.141 2.395 1.00 13.10 H new ATOM 271 N GLU A 16 11.523 -5.602 -0.067 1.00 51.04 N ATOM 272 CA GLU A 16 12.720 -4.834 0.298 1.00 21.43 C ATOM 273 C GLU A 16 12.887 -3.591 -0.593 1.00 71.21 C ATOM 274 O GLU A 16 13.036 -2.477 -0.088 1.00 21.15 O ATOM 275 CB GLU A 16 13.987 -5.710 0.237 1.00 31.12 C ATOM 276 CG GLU A 16 14.042 -6.795 1.310 1.00 32.43 C ATOM 277 CD GLU A 16 15.409 -7.462 1.412 1.00 41.42 C ATOM 278 OE1 GLU A 16 16.322 -6.863 2.020 1.00 62.04 O ATOM 279 OE2 GLU A 16 15.585 -8.575 0.881 1.00 40.22 O ATOM 0 H GLU A 16 11.710 -6.566 -0.343 1.00 51.04 H new ATOM 0 HA GLU A 16 12.583 -4.498 1.326 1.00 21.43 H new ATOM 0 HB2 GLU A 16 14.045 -6.180 -0.745 1.00 31.12 H new ATOM 0 HB3 GLU A 16 14.864 -5.070 0.336 1.00 31.12 H new ATOM 0 HG2 GLU A 16 13.784 -6.358 2.275 1.00 32.43 H new ATOM 0 HG3 GLU A 16 13.289 -7.553 1.092 1.00 32.43 H new ATOM 286 N GLU A 17 12.843 -3.779 -1.913 1.00 1.40 N ATOM 287 CA GLU A 17 12.968 -2.658 -2.857 1.00 23.20 C ATOM 288 C GLU A 17 11.881 -1.596 -2.630 1.00 54.22 C ATOM 289 O GLU A 17 12.125 -0.396 -2.793 1.00 1.13 O ATOM 290 CB GLU A 17 12.925 -3.161 -4.306 1.00 30.55 C ATOM 291 CG GLU A 17 14.188 -3.897 -4.736 1.00 55.14 C ATOM 292 CD GLU A 17 15.430 -3.027 -4.617 1.00 5.15 C ATOM 293 OE1 GLU A 17 15.550 -2.048 -5.385 1.00 24.02 O ATOM 294 OE2 GLU A 17 16.285 -3.312 -3.751 1.00 30.32 O ATOM 0 H GLU A 17 12.723 -4.690 -2.355 1.00 1.40 H new ATOM 0 HA GLU A 17 13.935 -2.188 -2.675 1.00 23.20 H new ATOM 0 HB2 GLU A 17 12.069 -3.826 -4.425 1.00 30.55 H new ATOM 0 HB3 GLU A 17 12.765 -2.313 -4.971 1.00 30.55 H new ATOM 0 HG2 GLU A 17 14.312 -4.790 -4.123 1.00 55.14 H new ATOM 0 HG3 GLU A 17 14.078 -4.231 -5.768 1.00 55.14 H new ATOM 301 N ALA A 18 10.686 -2.037 -2.250 1.00 61.01 N ATOM 302 CA ALA A 18 9.615 -1.115 -1.869 1.00 12.12 C ATOM 303 C ALA A 18 10.022 -0.291 -0.636 1.00 52.13 C ATOM 304 O ALA A 18 9.828 0.924 -0.591 1.00 60.40 O ATOM 305 CB ALA A 18 8.326 -1.882 -1.600 1.00 71.33 C ATOM 0 H ALA A 18 10.433 -3.024 -2.197 1.00 61.01 H new ATOM 0 HA ALA A 18 9.442 -0.427 -2.696 1.00 12.12 H new ATOM 0 HB1 ALA A 18 7.539 -1.183 -1.318 1.00 71.33 H new ATOM 0 HB2 ALA A 18 8.028 -2.420 -2.500 1.00 71.33 H new ATOM 0 HB3 ALA A 18 8.488 -2.593 -0.789 1.00 71.33 H new ATOM 311 N ARG A 19 10.604 -0.966 0.356 1.00 24.42 N ATOM 312 CA ARG A 19 11.105 -0.299 1.565 1.00 54.11 C ATOM 313 C ARG A 19 12.148 0.779 1.228 1.00 65.31 C ATOM 314 O ARG A 19 12.120 1.874 1.795 1.00 25.13 O ATOM 315 CB ARG A 19 11.708 -1.331 2.525 1.00 24.03 C ATOM 316 CG ARG A 19 10.680 -2.268 3.150 1.00 2.55 C ATOM 317 CD ARG A 19 11.349 -3.367 3.967 1.00 70.44 C ATOM 318 NE ARG A 19 12.347 -2.833 4.895 1.00 62.21 N ATOM 319 CZ ARG A 19 13.189 -3.565 5.573 1.00 3.44 C ATOM 320 NH1 ARG A 19 13.168 -4.857 5.480 1.00 65.14 N ATOM 321 NH2 ARG A 19 14.056 -2.994 6.342 1.00 71.24 N ATOM 0 H ARG A 19 10.742 -1.977 0.349 1.00 24.42 H new ATOM 0 HA ARG A 19 10.260 0.194 2.046 1.00 54.11 H new ATOM 0 HB2 ARG A 19 12.447 -1.925 1.987 1.00 24.03 H new ATOM 0 HB3 ARG A 19 12.238 -0.807 3.320 1.00 24.03 H new ATOM 0 HG2 ARG A 19 10.007 -1.697 3.789 1.00 2.55 H new ATOM 0 HG3 ARG A 19 10.071 -2.716 2.365 1.00 2.55 H new ATOM 0 HD2 ARG A 19 10.591 -3.915 4.527 1.00 70.44 H new ATOM 0 HD3 ARG A 19 11.825 -4.080 3.294 1.00 70.44 H new ATOM 0 HE ARG A 19 12.387 -1.822 5.020 1.00 62.21 H new ATOM 0 HH11 ARG A 19 12.488 -5.314 4.872 1.00 65.14 H new ATOM 0 HH12 ARG A 19 13.831 -5.418 6.015 1.00 65.14 H new ATOM 0 HH21 ARG A 19 14.080 -1.977 6.417 1.00 71.24 H new ATOM 0 HH22 ARG A 19 14.717 -3.560 6.874 1.00 71.24 H new ATOM 335 N LYS A 20 13.066 0.466 0.305 1.00 2.22 N ATOM 336 CA LYS A 20 14.050 1.455 -0.164 1.00 75.03 C ATOM 337 C LYS A 20 13.360 2.755 -0.593 1.00 43.30 C ATOM 338 O LYS A 20 13.520 3.797 0.045 1.00 54.43 O ATOM 339 CB LYS A 20 14.877 0.917 -1.352 1.00 73.34 C ATOM 340 CG LYS A 20 16.080 0.053 -0.974 1.00 71.40 C ATOM 341 CD LYS A 20 15.677 -1.286 -0.377 1.00 4.15 C ATOM 342 CE LYS A 20 16.880 -2.203 -0.200 1.00 74.14 C ATOM 343 NZ LYS A 20 17.547 -2.503 -1.495 1.00 64.31 N ATOM 0 H LYS A 20 13.150 -0.453 -0.129 1.00 2.22 H new ATOM 0 HA LYS A 20 14.719 1.653 0.674 1.00 75.03 H new ATOM 0 HB2 LYS A 20 14.219 0.333 -1.996 1.00 73.34 H new ATOM 0 HB3 LYS A 20 15.230 1.764 -1.941 1.00 73.34 H new ATOM 0 HG2 LYS A 20 16.692 -0.118 -1.860 1.00 71.40 H new ATOM 0 HG3 LYS A 20 16.700 0.593 -0.258 1.00 71.40 H new ATOM 0 HD2 LYS A 20 15.196 -1.125 0.588 1.00 4.15 H new ATOM 0 HD3 LYS A 20 14.943 -1.768 -1.023 1.00 4.15 H new ATOM 0 HE2 LYS A 20 17.596 -1.736 0.477 1.00 74.14 H new ATOM 0 HE3 LYS A 20 16.560 -3.134 0.268 1.00 74.14 H new ATOM 0 HZ1 LYS A 20 18.095 -3.382 -1.408 1.00 64.31 H new ATOM 0 HZ2 LYS A 20 16.828 -2.616 -2.238 1.00 64.31 H new ATOM 0 HZ3 LYS A 20 18.185 -1.721 -1.746 1.00 64.31 H new ATOM 357 N MET A 21 12.570 2.676 -1.662 1.00 71.51 N ATOM 358 CA MET A 21 11.910 3.857 -2.225 1.00 65.42 C ATOM 359 C MET A 21 10.988 4.552 -1.219 1.00 21.12 C ATOM 360 O MET A 21 10.810 5.767 -1.276 1.00 43.35 O ATOM 361 CB MET A 21 11.129 3.489 -3.491 1.00 42.34 C ATOM 362 CG MET A 21 12.025 3.194 -4.683 1.00 14.12 C ATOM 363 SD MET A 21 13.163 4.550 -5.035 1.00 44.04 S ATOM 364 CE MET A 21 12.017 5.922 -5.192 1.00 10.24 C ATOM 0 H MET A 21 12.370 1.807 -2.157 1.00 71.51 H new ATOM 0 HA MET A 21 12.699 4.564 -2.482 1.00 65.42 H new ATOM 0 HB2 MET A 21 10.508 2.617 -3.286 1.00 42.34 H new ATOM 0 HB3 MET A 21 10.455 4.307 -3.745 1.00 42.34 H new ATOM 0 HG2 MET A 21 12.595 2.285 -4.491 1.00 14.12 H new ATOM 0 HG3 MET A 21 11.408 3.003 -5.561 1.00 14.12 H new ATOM 0 HE1 MET A 21 12.445 6.681 -5.847 1.00 10.24 H new ATOM 0 HE2 MET A 21 11.078 5.565 -5.615 1.00 10.24 H new ATOM 0 HE3 MET A 21 11.831 6.355 -4.209 1.00 10.24 H new ATOM 374 N ALA A 22 10.404 3.790 -0.302 1.00 65.21 N ATOM 375 CA ALA A 22 9.570 4.372 0.748 1.00 41.43 C ATOM 376 C ALA A 22 10.389 5.318 1.639 1.00 4.13 C ATOM 377 O ALA A 22 9.993 6.458 1.886 1.00 62.30 O ATOM 378 CB ALA A 22 8.928 3.273 1.585 1.00 42.44 C ATOM 0 H ALA A 22 10.490 2.774 -0.262 1.00 65.21 H new ATOM 0 HA ALA A 22 8.781 4.955 0.272 1.00 41.43 H new ATOM 0 HB1 ALA A 22 8.310 3.722 2.363 1.00 42.44 H new ATOM 0 HB2 ALA A 22 8.308 2.645 0.946 1.00 42.44 H new ATOM 0 HB3 ALA A 22 9.706 2.665 2.046 1.00 42.44 H new ATOM 384 N GLU A 23 11.552 4.850 2.090 1.00 31.12 N ATOM 385 CA GLU A 23 12.447 5.668 2.916 1.00 22.14 C ATOM 386 C GLU A 23 13.082 6.805 2.095 1.00 42.43 C ATOM 387 O GLU A 23 13.347 7.890 2.618 1.00 61.32 O ATOM 388 CB GLU A 23 13.534 4.788 3.550 1.00 0.35 C ATOM 389 CG GLU A 23 12.977 3.672 4.431 1.00 34.30 C ATOM 390 CD GLU A 23 14.063 2.875 5.135 1.00 51.43 C ATOM 391 OE1 GLU A 23 14.662 1.982 4.500 1.00 53.01 O ATOM 392 OE2 GLU A 23 14.324 3.136 6.330 1.00 31.53 O ATOM 0 H GLU A 23 11.899 3.910 1.899 1.00 31.12 H new ATOM 0 HA GLU A 23 11.854 6.123 3.710 1.00 22.14 H new ATOM 0 HB2 GLU A 23 14.141 4.347 2.759 1.00 0.35 H new ATOM 0 HB3 GLU A 23 14.196 5.415 4.147 1.00 0.35 H new ATOM 0 HG2 GLU A 23 12.309 4.104 5.177 1.00 34.30 H new ATOM 0 HG3 GLU A 23 12.378 2.998 3.819 1.00 34.30 H new ATOM 399 N LYS A 24 13.316 6.552 0.805 1.00 64.34 N ATOM 400 CA LYS A 24 13.845 7.578 -0.109 1.00 45.52 C ATOM 401 C LYS A 24 12.794 8.668 -0.380 1.00 24.21 C ATOM 402 O LYS A 24 13.127 9.840 -0.564 1.00 41.42 O ATOM 403 CB LYS A 24 14.286 6.944 -1.445 1.00 74.13 C ATOM 404 CG LYS A 24 15.290 5.801 -1.299 1.00 15.53 C ATOM 405 CD LYS A 24 16.583 6.244 -0.622 1.00 34.42 C ATOM 406 CE LYS A 24 17.408 7.171 -1.507 1.00 35.11 C ATOM 407 NZ LYS A 24 17.860 6.492 -2.752 1.00 4.03 N ATOM 0 H LYS A 24 13.149 5.647 0.366 1.00 64.34 H new ATOM 0 HA LYS A 24 14.710 8.034 0.372 1.00 45.52 H new ATOM 0 HB2 LYS A 24 13.404 6.572 -1.966 1.00 74.13 H new ATOM 0 HB3 LYS A 24 14.725 7.719 -2.074 1.00 74.13 H new ATOM 0 HG2 LYS A 24 14.838 4.996 -0.720 1.00 15.53 H new ATOM 0 HG3 LYS A 24 15.520 5.395 -2.284 1.00 15.53 H new ATOM 0 HD2 LYS A 24 16.346 6.753 0.313 1.00 34.42 H new ATOM 0 HD3 LYS A 24 17.176 5.366 -0.366 1.00 34.42 H new ATOM 0 HE2 LYS A 24 16.815 8.048 -1.766 1.00 35.11 H new ATOM 0 HE3 LYS A 24 18.276 7.526 -0.951 1.00 35.11 H new ATOM 0 HZ1 LYS A 24 18.626 7.043 -3.190 1.00 4.03 H new ATOM 0 HZ2 LYS A 24 18.208 5.539 -2.521 1.00 4.03 H new ATOM 0 HZ3 LYS A 24 17.063 6.418 -3.416 1.00 4.03 H new ATOM 421 N ALA A 25 11.523 8.266 -0.410 1.00 35.11 N ATOM 422 CA ALA A 25 10.408 9.195 -0.636 1.00 53.41 C ATOM 423 C ALA A 25 9.831 9.724 0.687 1.00 61.34 C ATOM 424 O ALA A 25 8.903 10.533 0.685 1.00 41.35 O ATOM 425 CB ALA A 25 9.321 8.508 -1.455 1.00 13.20 C ATOM 0 H ALA A 25 11.236 7.296 -0.280 1.00 35.11 H new ATOM 0 HA ALA A 25 10.790 10.053 -1.190 1.00 53.41 H new ATOM 0 HB1 ALA A 25 8.496 9.202 -1.620 1.00 13.20 H new ATOM 0 HB2 ALA A 25 9.731 8.197 -2.416 1.00 13.20 H new ATOM 0 HB3 ALA A 25 8.957 7.633 -0.916 1.00 13.20 H new ATOM 431 N ASN A 26 10.390 9.251 1.810 1.00 61.11 N ATOM 432 CA ASN A 26 10.007 9.713 3.156 1.00 0.24 C ATOM 433 C ASN A 26 8.572 9.290 3.530 1.00 34.43 C ATOM 434 O ASN A 26 7.940 9.891 4.402 1.00 64.43 O ATOM 435 CB ASN A 26 10.147 11.241 3.249 1.00 74.24 C ATOM 436 CG ASN A 26 11.506 11.738 2.781 1.00 73.22 C ATOM 437 OD1 ASN A 26 11.615 12.806 2.189 1.00 65.22 O ATOM 438 ND2 ASN A 26 12.557 10.986 3.049 1.00 11.12 N ATOM 0 H ASN A 26 11.120 8.538 1.813 1.00 61.11 H new ATOM 0 HA ASN A 26 10.683 9.239 3.868 1.00 0.24 H new ATOM 0 HB2 ASN A 26 9.367 11.710 2.649 1.00 74.24 H new ATOM 0 HB3 ASN A 26 9.986 11.554 4.281 1.00 74.24 H new ATOM 0 HD21 ASN A 26 13.488 11.289 2.762 1.00 11.12 H new ATOM 0 HD22 ASN A 26 12.439 10.102 3.543 1.00 11.12 H new ATOM 445 N LEU A 27 8.080 8.230 2.895 1.00 70.45 N ATOM 446 CA LEU A 27 6.699 7.770 3.098 1.00 63.31 C ATOM 447 C LEU A 27 6.631 6.569 4.057 1.00 72.44 C ATOM 448 O LEU A 27 7.565 5.770 4.142 1.00 44.54 O ATOM 449 CB LEU A 27 6.069 7.392 1.750 1.00 72.23 C ATOM 450 CG LEU A 27 6.088 8.499 0.681 1.00 71.14 C ATOM 451 CD1 LEU A 27 5.409 8.026 -0.602 1.00 22.11 C ATOM 452 CD2 LEU A 27 5.432 9.776 1.206 1.00 20.12 C ATOM 0 H LEU A 27 8.615 7.668 2.232 1.00 70.45 H new ATOM 0 HA LEU A 27 6.141 8.591 3.550 1.00 63.31 H new ATOM 0 HB2 LEU A 27 6.591 6.520 1.356 1.00 72.23 H new ATOM 0 HB3 LEU A 27 5.035 7.094 1.922 1.00 72.23 H new ATOM 0 HG LEU A 27 7.128 8.726 0.449 1.00 71.14 H new ATOM 0 HD11 LEU A 27 5.434 8.825 -1.343 1.00 22.11 H new ATOM 0 HD12 LEU A 27 5.934 7.153 -0.991 1.00 22.11 H new ATOM 0 HD13 LEU A 27 4.373 7.761 -0.389 1.00 22.11 H new ATOM 0 HD21 LEU A 27 5.458 10.543 0.432 1.00 20.12 H new ATOM 0 HD22 LEU A 27 4.397 9.568 1.477 1.00 20.12 H new ATOM 0 HD23 LEU A 27 5.973 10.128 2.084 1.00 20.12 H new ATOM 464 N GLU A 28 5.509 6.450 4.770 1.00 3.02 N ATOM 465 CA GLU A 28 5.267 5.318 5.676 1.00 34.44 C ATOM 466 C GLU A 28 4.829 4.072 4.885 1.00 60.30 C ATOM 467 O GLU A 28 3.907 4.140 4.075 1.00 24.31 O ATOM 468 CB GLU A 28 4.187 5.702 6.704 1.00 22.44 C ATOM 469 CG GLU A 28 3.742 4.565 7.627 1.00 61.43 C ATOM 470 CD GLU A 28 4.846 4.063 8.546 1.00 71.23 C ATOM 471 OE1 GLU A 28 5.675 3.250 8.096 1.00 34.32 O ATOM 472 OE2 GLU A 28 4.875 4.463 9.730 1.00 63.11 O ATOM 0 H GLU A 28 4.747 7.127 4.739 1.00 3.02 H new ATOM 0 HA GLU A 28 6.194 5.081 6.198 1.00 34.44 H new ATOM 0 HB2 GLU A 28 4.564 6.521 7.316 1.00 22.44 H new ATOM 0 HB3 GLU A 28 3.315 6.079 6.169 1.00 22.44 H new ATOM 0 HG2 GLU A 28 2.903 4.907 8.233 1.00 61.43 H new ATOM 0 HG3 GLU A 28 3.380 3.735 7.020 1.00 61.43 H new ATOM 479 N LEU A 29 5.483 2.937 5.134 1.00 40.31 N ATOM 480 CA LEU A 29 5.194 1.693 4.403 1.00 24.32 C ATOM 481 C LEU A 29 5.141 0.488 5.355 1.00 53.44 C ATOM 482 O LEU A 29 6.052 0.273 6.156 1.00 14.03 O ATOM 483 CB LEU A 29 6.250 1.473 3.298 1.00 20.54 C ATOM 484 CG LEU A 29 6.025 0.259 2.358 1.00 31.10 C ATOM 485 CD1 LEU A 29 6.708 0.489 1.013 1.00 53.24 C ATOM 486 CD2 LEU A 29 6.544 -1.038 2.982 1.00 55.40 C ATOM 0 H LEU A 29 6.218 2.849 5.836 1.00 40.31 H new ATOM 0 HA LEU A 29 4.213 1.787 3.938 1.00 24.32 H new ATOM 0 HB2 LEU A 29 6.297 2.374 2.686 1.00 20.54 H new ATOM 0 HB3 LEU A 29 7.224 1.360 3.774 1.00 20.54 H new ATOM 0 HG LEU A 29 4.950 0.161 2.206 1.00 31.10 H new ATOM 0 HD11 LEU A 29 6.539 -0.373 0.367 1.00 53.24 H new ATOM 0 HD12 LEU A 29 6.295 1.381 0.543 1.00 53.24 H new ATOM 0 HD13 LEU A 29 7.779 0.623 1.167 1.00 53.24 H new ATOM 0 HD21 LEU A 29 6.370 -1.867 2.296 1.00 55.40 H new ATOM 0 HD22 LEU A 29 7.613 -0.946 3.176 1.00 55.40 H new ATOM 0 HD23 LEU A 29 6.020 -1.226 3.919 1.00 55.40 H new ATOM 498 N ARG A 30 4.071 -0.301 5.254 1.00 23.00 N ATOM 499 CA ARG A 30 3.896 -1.488 6.103 1.00 72.34 C ATOM 500 C ARG A 30 3.554 -2.734 5.270 1.00 1.34 C ATOM 501 O ARG A 30 2.891 -2.645 4.234 1.00 21.33 O ATOM 502 CB ARG A 30 2.801 -1.232 7.149 1.00 33.43 C ATOM 503 CG ARG A 30 3.106 -0.055 8.073 1.00 4.24 C ATOM 504 CD ARG A 30 4.368 -0.297 8.898 1.00 4.42 C ATOM 505 NE ARG A 30 4.833 0.926 9.544 1.00 1.24 N ATOM 506 CZ ARG A 30 5.358 0.983 10.736 1.00 3.11 C ATOM 507 NH1 ARG A 30 5.521 -0.088 11.443 1.00 62.31 N ATOM 508 NH2 ARG A 30 5.739 2.122 11.215 1.00 41.12 N ATOM 0 H ARG A 30 3.310 -0.143 4.594 1.00 23.00 H new ATOM 0 HA ARG A 30 4.842 -1.678 6.611 1.00 72.34 H new ATOM 0 HB2 ARG A 30 1.857 -1.047 6.637 1.00 33.43 H new ATOM 0 HB3 ARG A 30 2.667 -2.131 7.751 1.00 33.43 H new ATOM 0 HG2 ARG A 30 3.227 0.851 7.480 1.00 4.24 H new ATOM 0 HG3 ARG A 30 2.261 0.112 8.741 1.00 4.24 H new ATOM 0 HD2 ARG A 30 4.168 -1.055 9.655 1.00 4.42 H new ATOM 0 HD3 ARG A 30 5.154 -0.690 8.254 1.00 4.42 H new ATOM 0 HE ARG A 30 4.741 1.799 9.025 1.00 1.24 H new ATOM 0 HH11 ARG A 30 5.237 -0.994 11.069 1.00 62.31 H new ATOM 0 HH12 ARG A 30 5.933 -0.027 12.374 1.00 62.31 H new ATOM 0 HH21 ARG A 30 5.628 2.971 10.661 1.00 41.12 H new ATOM 0 HH22 ARG A 30 6.150 2.171 12.147 1.00 41.12 H new ATOM 522 N THR A 31 4.014 -3.893 5.733 1.00 43.01 N ATOM 523 CA THR A 31 3.795 -5.159 5.026 1.00 11.45 C ATOM 524 C THR A 31 2.476 -5.827 5.443 1.00 44.31 C ATOM 525 O THR A 31 2.255 -6.107 6.622 1.00 61.22 O ATOM 526 CB THR A 31 4.954 -6.155 5.279 1.00 14.31 C ATOM 527 OG1 THR A 31 5.058 -6.461 6.681 1.00 32.13 O ATOM 528 CG2 THR A 31 6.279 -5.585 4.789 1.00 13.15 C ATOM 0 H THR A 31 4.544 -3.985 6.599 1.00 43.01 H new ATOM 0 HA THR A 31 3.750 -4.911 3.966 1.00 11.45 H new ATOM 0 HB THR A 31 4.734 -7.067 4.724 1.00 14.31 H new ATOM 0 HG1 THR A 31 4.169 -6.420 7.092 1.00 32.13 H new ATOM 0 HG21 THR A 31 7.076 -6.304 4.978 1.00 13.15 H new ATOM 0 HG22 THR A 31 6.216 -5.386 3.719 1.00 13.15 H new ATOM 0 HG23 THR A 31 6.494 -4.657 5.319 1.00 13.15 H new ATOM 536 N VAL A 32 1.613 -6.092 4.466 1.00 73.23 N ATOM 537 CA VAL A 32 0.330 -6.759 4.710 1.00 61.42 C ATOM 538 C VAL A 32 0.376 -8.226 4.251 1.00 54.22 C ATOM 539 O VAL A 32 0.904 -8.537 3.184 1.00 35.33 O ATOM 540 CB VAL A 32 -0.828 -6.030 3.983 1.00 52.35 C ATOM 541 CG1 VAL A 32 -2.136 -6.812 4.102 1.00 10.34 C ATOM 542 CG2 VAL A 32 -0.998 -4.613 4.529 1.00 71.34 C ATOM 0 H VAL A 32 1.778 -5.854 3.488 1.00 73.23 H new ATOM 0 HA VAL A 32 0.149 -6.726 5.784 1.00 61.42 H new ATOM 0 HB VAL A 32 -0.571 -5.966 2.926 1.00 52.35 H new ATOM 0 HG11 VAL A 32 -2.929 -6.275 3.582 1.00 10.34 H new ATOM 0 HG12 VAL A 32 -2.012 -7.798 3.655 1.00 10.34 H new ATOM 0 HG13 VAL A 32 -2.400 -6.921 5.154 1.00 10.34 H new ATOM 0 HG21 VAL A 32 -1.816 -4.117 4.006 1.00 71.34 H new ATOM 0 HG22 VAL A 32 -1.223 -4.658 5.595 1.00 71.34 H new ATOM 0 HG23 VAL A 32 -0.076 -4.051 4.376 1.00 71.34 H new ATOM 552 N LYS A 33 -0.177 -9.122 5.066 1.00 50.12 N ATOM 553 CA LYS A 33 -0.169 -10.562 4.762 1.00 54.12 C ATOM 554 C LYS A 33 -1.545 -11.060 4.279 1.00 2.43 C ATOM 555 O LYS A 33 -1.654 -11.708 3.236 1.00 32.24 O ATOM 556 CB LYS A 33 0.260 -11.350 6.009 1.00 10.54 C ATOM 557 CG LYS A 33 1.624 -10.935 6.556 1.00 53.42 C ATOM 558 CD LYS A 33 1.987 -11.715 7.817 1.00 21.21 C ATOM 559 CE LYS A 33 3.365 -11.333 8.343 1.00 44.24 C ATOM 560 NZ LYS A 33 3.443 -9.896 8.716 1.00 45.13 N ATOM 0 H LYS A 33 -0.638 -8.882 5.944 1.00 50.12 H new ATOM 0 HA LYS A 33 0.542 -10.725 3.952 1.00 54.12 H new ATOM 0 HB2 LYS A 33 -0.490 -11.217 6.788 1.00 10.54 H new ATOM 0 HB3 LYS A 33 0.283 -12.413 5.767 1.00 10.54 H new ATOM 0 HG2 LYS A 33 2.387 -11.099 5.795 1.00 53.42 H new ATOM 0 HG3 LYS A 33 1.618 -9.868 6.777 1.00 53.42 H new ATOM 0 HD2 LYS A 33 1.239 -11.528 8.588 1.00 21.21 H new ATOM 0 HD3 LYS A 33 1.963 -12.783 7.603 1.00 21.21 H new ATOM 0 HE2 LYS A 33 3.603 -11.946 9.212 1.00 44.24 H new ATOM 0 HE3 LYS A 33 4.116 -11.551 7.583 1.00 44.24 H new ATOM 0 HZ1 LYS A 33 4.333 -9.717 9.223 1.00 45.13 H new ATOM 0 HZ2 LYS A 33 3.410 -9.312 7.856 1.00 45.13 H new ATOM 0 HZ3 LYS A 33 2.640 -9.653 9.331 1.00 45.13 H new ATOM 574 N THR A 34 -2.593 -10.764 5.050 1.00 44.14 N ATOM 575 CA THR A 34 -3.946 -11.274 4.761 1.00 35.24 C ATOM 576 C THR A 34 -5.001 -10.159 4.764 1.00 11.02 C ATOM 577 O THR A 34 -4.687 -8.984 4.976 1.00 32.33 O ATOM 578 CB THR A 34 -4.374 -12.336 5.804 1.00 60.52 C ATOM 579 OG1 THR A 34 -4.460 -11.735 7.110 1.00 72.44 O ATOM 580 CG2 THR A 34 -3.392 -13.503 5.839 1.00 71.34 C ATOM 0 H THR A 34 -2.537 -10.174 5.880 1.00 44.14 H new ATOM 0 HA THR A 34 -3.893 -11.716 3.766 1.00 35.24 H new ATOM 0 HB THR A 34 -5.352 -12.720 5.513 1.00 60.52 H new ATOM 0 HG1 THR A 34 -4.733 -12.412 7.764 1.00 72.44 H new ATOM 0 HG21 THR A 34 -3.719 -14.232 6.580 1.00 71.34 H new ATOM 0 HG22 THR A 34 -3.354 -13.976 4.858 1.00 71.34 H new ATOM 0 HG23 THR A 34 -2.400 -13.136 6.104 1.00 71.34 H new ATOM 588 N GLU A 35 -6.259 -10.549 4.531 1.00 44.33 N ATOM 589 CA GLU A 35 -7.400 -9.626 4.606 1.00 55.52 C ATOM 590 C GLU A 35 -7.426 -8.895 5.956 1.00 64.12 C ATOM 591 O GLU A 35 -7.572 -7.668 6.017 1.00 34.15 O ATOM 592 CB GLU A 35 -8.712 -10.408 4.413 1.00 53.44 C ATOM 593 CG GLU A 35 -9.976 -9.579 4.643 1.00 5.41 C ATOM 594 CD GLU A 35 -11.253 -10.407 4.605 1.00 71.15 C ATOM 595 OE1 GLU A 35 -11.440 -11.264 5.497 1.00 42.14 O ATOM 596 OE2 GLU A 35 -12.086 -10.195 3.695 1.00 13.51 O ATOM 0 H GLU A 35 -6.515 -11.506 4.287 1.00 44.33 H new ATOM 0 HA GLU A 35 -7.296 -8.883 3.815 1.00 55.52 H new ATOM 0 HB2 GLU A 35 -8.735 -10.812 3.401 1.00 53.44 H new ATOM 0 HB3 GLU A 35 -8.719 -11.258 5.096 1.00 53.44 H new ATOM 0 HG2 GLU A 35 -9.904 -9.079 5.609 1.00 5.41 H new ATOM 0 HG3 GLU A 35 -10.034 -8.799 3.884 1.00 5.41 H new ATOM 603 N ASP A 36 -7.270 -9.659 7.036 1.00 2.03 N ATOM 604 CA ASP A 36 -7.265 -9.095 8.383 1.00 32.24 C ATOM 605 C ASP A 36 -6.133 -8.073 8.556 1.00 71.05 C ATOM 606 O ASP A 36 -6.354 -6.995 9.100 1.00 15.01 O ATOM 607 CB ASP A 36 -7.145 -10.204 9.432 1.00 32.03 C ATOM 608 CG ASP A 36 -7.267 -9.663 10.845 1.00 44.33 C ATOM 609 OD1 ASP A 36 -8.356 -9.160 11.196 1.00 2.20 O ATOM 610 OD2 ASP A 36 -6.278 -9.717 11.603 1.00 22.23 O ATOM 0 H ASP A 36 -7.145 -10.671 7.003 1.00 2.03 H new ATOM 0 HA ASP A 36 -8.213 -8.576 8.528 1.00 32.24 H new ATOM 0 HB2 ASP A 36 -7.920 -10.951 9.261 1.00 32.03 H new ATOM 0 HB3 ASP A 36 -6.186 -10.709 9.318 1.00 32.03 H new ATOM 615 N GLU A 37 -4.929 -8.413 8.081 1.00 35.31 N ATOM 616 CA GLU A 37 -3.780 -7.493 8.140 1.00 31.40 C ATOM 617 C GLU A 37 -4.085 -6.158 7.434 1.00 22.33 C ATOM 618 O GLU A 37 -3.812 -5.085 7.972 1.00 33.33 O ATOM 619 CB GLU A 37 -2.535 -8.136 7.510 1.00 21.03 C ATOM 620 CG GLU A 37 -1.945 -9.299 8.303 1.00 64.10 C ATOM 621 CD GLU A 37 -1.398 -8.882 9.664 1.00 52.42 C ATOM 622 OE1 GLU A 37 -0.438 -8.081 9.709 1.00 3.32 O ATOM 623 OE2 GLU A 37 -1.913 -9.360 10.692 1.00 14.31 O ATOM 0 H GLU A 37 -4.722 -9.315 7.652 1.00 35.31 H new ATOM 0 HA GLU A 37 -3.586 -7.288 9.193 1.00 31.40 H new ATOM 0 HB2 GLU A 37 -2.792 -8.489 6.511 1.00 21.03 H new ATOM 0 HB3 GLU A 37 -1.769 -7.370 7.391 1.00 21.03 H new ATOM 0 HG2 GLU A 37 -2.712 -10.060 8.445 1.00 64.10 H new ATOM 0 HG3 GLU A 37 -1.145 -9.758 7.722 1.00 64.10 H new ATOM 630 N LEU A 38 -4.652 -6.233 6.230 1.00 43.01 N ATOM 631 CA LEU A 38 -5.005 -5.030 5.462 1.00 74.34 C ATOM 632 C LEU A 38 -5.933 -4.118 6.287 1.00 70.31 C ATOM 633 O LEU A 38 -5.645 -2.938 6.488 1.00 14.30 O ATOM 634 CB LEU A 38 -5.666 -5.449 4.130 1.00 72.35 C ATOM 635 CG LEU A 38 -5.699 -4.393 2.999 1.00 53.31 C ATOM 636 CD1 LEU A 38 -6.683 -3.269 3.300 1.00 32.10 C ATOM 637 CD2 LEU A 38 -4.304 -3.828 2.743 1.00 61.12 C ATOM 0 H LEU A 38 -4.878 -7.111 5.762 1.00 43.01 H new ATOM 0 HA LEU A 38 -4.102 -4.462 5.238 1.00 74.34 H new ATOM 0 HB2 LEU A 38 -5.145 -6.330 3.756 1.00 72.35 H new ATOM 0 HB3 LEU A 38 -6.692 -5.751 4.341 1.00 72.35 H new ATOM 0 HG LEU A 38 -6.042 -4.898 2.096 1.00 53.31 H new ATOM 0 HD11 LEU A 38 -6.675 -2.550 2.481 1.00 32.10 H new ATOM 0 HD12 LEU A 38 -7.685 -3.683 3.410 1.00 32.10 H new ATOM 0 HD13 LEU A 38 -6.393 -2.770 4.225 1.00 32.10 H new ATOM 0 HD21 LEU A 38 -4.352 -3.088 1.944 1.00 61.12 H new ATOM 0 HD22 LEU A 38 -3.930 -3.357 3.652 1.00 61.12 H new ATOM 0 HD23 LEU A 38 -3.633 -4.635 2.450 1.00 61.12 H new ATOM 649 N LYS A 39 -7.037 -4.683 6.782 1.00 42.21 N ATOM 650 CA LYS A 39 -7.963 -3.954 7.664 1.00 44.22 C ATOM 651 C LYS A 39 -7.241 -3.444 8.924 1.00 15.31 C ATOM 652 O LYS A 39 -7.439 -2.309 9.361 1.00 43.14 O ATOM 653 CB LYS A 39 -9.118 -4.876 8.078 1.00 62.30 C ATOM 654 CG LYS A 39 -10.150 -4.212 8.990 1.00 43.43 C ATOM 655 CD LYS A 39 -11.194 -5.206 9.505 1.00 60.44 C ATOM 656 CE LYS A 39 -10.683 -6.049 10.678 1.00 31.24 C ATOM 657 NZ LYS A 39 -9.467 -6.845 10.341 1.00 53.33 N ATOM 0 H LYS A 39 -7.315 -5.645 6.589 1.00 42.21 H new ATOM 0 HA LYS A 39 -8.351 -3.096 7.115 1.00 44.22 H new ATOM 0 HB2 LYS A 39 -9.621 -5.237 7.180 1.00 62.30 H new ATOM 0 HB3 LYS A 39 -8.708 -5.749 8.586 1.00 62.30 H new ATOM 0 HG2 LYS A 39 -9.641 -3.752 9.837 1.00 43.43 H new ATOM 0 HG3 LYS A 39 -10.651 -3.411 8.446 1.00 43.43 H new ATOM 0 HD2 LYS A 39 -12.085 -4.661 9.816 1.00 60.44 H new ATOM 0 HD3 LYS A 39 -11.492 -5.867 8.691 1.00 60.44 H new ATOM 0 HE2 LYS A 39 -10.459 -5.393 11.519 1.00 31.24 H new ATOM 0 HE3 LYS A 39 -11.474 -6.725 11.003 1.00 31.24 H new ATOM 0 HZ1 LYS A 39 -9.402 -7.665 10.977 1.00 53.33 H new ATOM 0 HZ2 LYS A 39 -9.529 -7.174 9.356 1.00 53.33 H new ATOM 0 HZ3 LYS A 39 -8.621 -6.251 10.454 1.00 53.33 H new ATOM 671 N LYS A 40 -6.399 -4.310 9.478 1.00 4.34 N ATOM 672 CA LYS A 40 -5.615 -4.035 10.689 1.00 33.32 C ATOM 673 C LYS A 40 -4.822 -2.721 10.589 1.00 12.20 C ATOM 674 O LYS A 40 -4.734 -1.964 11.557 1.00 4.51 O ATOM 675 CB LYS A 40 -4.685 -5.236 10.926 1.00 40.20 C ATOM 676 CG LYS A 40 -3.478 -4.997 11.826 1.00 33.33 C ATOM 677 CD LYS A 40 -2.630 -6.264 11.903 1.00 63.13 C ATOM 678 CE LYS A 40 -1.267 -6.031 12.532 1.00 0.04 C ATOM 679 NZ LYS A 40 -0.441 -7.267 12.484 1.00 5.44 N ATOM 0 H LYS A 40 -6.235 -5.241 9.095 1.00 4.34 H new ATOM 0 HA LYS A 40 -6.290 -3.904 11.535 1.00 33.32 H new ATOM 0 HB2 LYS A 40 -5.276 -6.045 11.356 1.00 40.20 H new ATOM 0 HB3 LYS A 40 -4.325 -5.584 9.958 1.00 40.20 H new ATOM 0 HG2 LYS A 40 -2.881 -4.172 11.437 1.00 33.33 H new ATOM 0 HG3 LYS A 40 -3.809 -4.709 12.824 1.00 33.33 H new ATOM 0 HD2 LYS A 40 -3.166 -7.018 12.480 1.00 63.13 H new ATOM 0 HD3 LYS A 40 -2.496 -6.666 10.899 1.00 63.13 H new ATOM 0 HE2 LYS A 40 -0.753 -5.225 12.008 1.00 0.04 H new ATOM 0 HE3 LYS A 40 -1.390 -5.711 13.567 1.00 0.04 H new ATOM 0 HZ1 LYS A 40 0.472 -7.092 12.950 1.00 5.44 H new ATOM 0 HZ2 LYS A 40 -0.939 -8.037 12.975 1.00 5.44 H new ATOM 0 HZ3 LYS A 40 -0.278 -7.537 11.493 1.00 5.44 H new ATOM 693 N TYR A 41 -4.245 -2.449 9.422 1.00 12.23 N ATOM 694 CA TYR A 41 -3.516 -1.193 9.201 1.00 3.11 C ATOM 695 C TYR A 41 -4.474 -0.031 8.883 1.00 52.02 C ATOM 696 O TYR A 41 -4.196 1.126 9.207 1.00 22.02 O ATOM 697 CB TYR A 41 -2.475 -1.368 8.087 1.00 10.41 C ATOM 698 CG TYR A 41 -1.336 -2.297 8.472 1.00 31.11 C ATOM 699 CD1 TYR A 41 -0.329 -1.867 9.330 1.00 60.14 C ATOM 700 CD2 TYR A 41 -1.270 -3.600 7.990 1.00 74.40 C ATOM 701 CE1 TYR A 41 0.708 -2.705 9.692 1.00 25.15 C ATOM 702 CE2 TYR A 41 -0.235 -4.444 8.348 1.00 54.51 C ATOM 703 CZ TYR A 41 0.751 -3.992 9.199 1.00 61.35 C ATOM 704 OH TYR A 41 1.782 -4.831 9.562 1.00 73.13 O ATOM 0 H TYR A 41 -4.265 -3.074 8.616 1.00 12.23 H new ATOM 0 HA TYR A 41 -2.996 -0.940 10.125 1.00 3.11 H new ATOM 0 HB2 TYR A 41 -2.968 -1.758 7.196 1.00 10.41 H new ATOM 0 HB3 TYR A 41 -2.066 -0.392 7.824 1.00 10.41 H new ATOM 0 HD1 TYR A 41 -0.358 -0.860 9.720 1.00 60.14 H new ATOM 0 HD2 TYR A 41 -2.041 -3.959 7.324 1.00 74.40 H new ATOM 0 HE1 TYR A 41 1.482 -2.353 10.358 1.00 25.15 H new ATOM 0 HE2 TYR A 41 -0.199 -5.452 7.963 1.00 54.51 H new ATOM 0 HH TYR A 41 2.096 -5.323 8.775 1.00 73.13 H new ATOM 714 N LEU A 42 -5.613 -0.346 8.264 1.00 73.04 N ATOM 715 CA LEU A 42 -6.636 0.668 7.969 1.00 52.12 C ATOM 716 C LEU A 42 -7.239 1.252 9.255 1.00 74.21 C ATOM 717 O LEU A 42 -7.675 2.405 9.276 1.00 4.10 O ATOM 718 CB LEU A 42 -7.761 0.080 7.101 1.00 24.32 C ATOM 719 CG LEU A 42 -7.353 -0.376 5.691 1.00 20.12 C ATOM 720 CD1 LEU A 42 -8.571 -0.888 4.926 1.00 2.10 C ATOM 721 CD2 LEU A 42 -6.666 0.753 4.925 1.00 62.25 C ATOM 0 H LEU A 42 -5.853 -1.289 7.957 1.00 73.04 H new ATOM 0 HA LEU A 42 -6.140 1.469 7.421 1.00 52.12 H new ATOM 0 HB2 LEU A 42 -8.192 -0.772 7.627 1.00 24.32 H new ATOM 0 HB3 LEU A 42 -8.549 0.827 7.006 1.00 24.32 H new ATOM 0 HG LEU A 42 -6.638 -1.193 5.790 1.00 20.12 H new ATOM 0 HD11 LEU A 42 -8.267 -1.207 3.929 1.00 2.10 H new ATOM 0 HD12 LEU A 42 -9.008 -1.732 5.460 1.00 2.10 H new ATOM 0 HD13 LEU A 42 -9.309 -0.091 4.842 1.00 2.10 H new ATOM 0 HD21 LEU A 42 -6.388 0.402 3.931 1.00 62.25 H new ATOM 0 HD22 LEU A 42 -7.348 1.598 4.834 1.00 62.25 H new ATOM 0 HD23 LEU A 42 -5.771 1.065 5.463 1.00 62.25 H new ATOM 733 N GLU A 43 -7.266 0.449 10.325 1.00 65.32 N ATOM 734 CA GLU A 43 -7.789 0.901 11.624 1.00 10.44 C ATOM 735 C GLU A 43 -7.108 2.202 12.077 1.00 42.22 C ATOM 736 O GLU A 43 -7.756 3.112 12.601 1.00 70.24 O ATOM 737 CB GLU A 43 -7.599 -0.187 12.694 1.00 24.04 C ATOM 738 CG GLU A 43 -8.302 -1.504 12.369 1.00 52.04 C ATOM 739 CD GLU A 43 -8.183 -2.529 13.488 1.00 61.55 C ATOM 740 OE1 GLU A 43 -7.167 -3.254 13.540 1.00 64.34 O ATOM 741 OE2 GLU A 43 -9.108 -2.613 14.322 1.00 55.34 O ATOM 0 H GLU A 43 -6.933 -0.515 10.319 1.00 65.32 H new ATOM 0 HA GLU A 43 -8.854 1.095 11.499 1.00 10.44 H new ATOM 0 HB2 GLU A 43 -6.533 -0.377 12.820 1.00 24.04 H new ATOM 0 HB3 GLU A 43 -7.971 0.186 13.648 1.00 24.04 H new ATOM 0 HG2 GLU A 43 -9.356 -1.309 12.172 1.00 52.04 H new ATOM 0 HG3 GLU A 43 -7.879 -1.920 11.455 1.00 52.04 H new ATOM 748 N GLU A 44 -5.796 2.278 11.875 1.00 21.54 N ATOM 749 CA GLU A 44 -5.032 3.497 12.168 1.00 74.23 C ATOM 750 C GLU A 44 -5.325 4.605 11.162 1.00 31.55 C ATOM 751 O GLU A 44 -5.503 5.764 11.532 1.00 14.41 O ATOM 752 CB GLU A 44 -3.526 3.204 12.176 1.00 12.13 C ATOM 753 CG GLU A 44 -3.003 2.770 13.533 1.00 11.21 C ATOM 754 CD GLU A 44 -3.574 1.440 14.002 1.00 54.23 C ATOM 755 OE1 GLU A 44 -4.670 1.426 14.607 1.00 13.53 O ATOM 756 OE2 GLU A 44 -2.922 0.400 13.775 1.00 40.20 O ATOM 0 H GLU A 44 -5.234 1.510 11.509 1.00 21.54 H new ATOM 0 HA GLU A 44 -5.343 3.838 13.156 1.00 74.23 H new ATOM 0 HB2 GLU A 44 -3.311 2.424 11.446 1.00 12.13 H new ATOM 0 HB3 GLU A 44 -2.988 4.096 11.856 1.00 12.13 H new ATOM 0 HG2 GLU A 44 -1.916 2.695 13.489 1.00 11.21 H new ATOM 0 HG3 GLU A 44 -3.240 3.539 14.269 1.00 11.21 H new ATOM 763 N PHE A 45 -5.368 4.245 9.889 1.00 20.02 N ATOM 764 CA PHE A 45 -5.536 5.234 8.824 1.00 64.21 C ATOM 765 C PHE A 45 -6.876 5.985 8.937 1.00 54.54 C ATOM 766 O PHE A 45 -7.001 7.124 8.485 1.00 34.34 O ATOM 767 CB PHE A 45 -5.413 4.562 7.449 1.00 61.21 C ATOM 768 CG PHE A 45 -4.078 3.894 7.206 1.00 1.01 C ATOM 769 CD1 PHE A 45 -2.963 4.213 7.973 1.00 33.32 C ATOM 770 CD2 PHE A 45 -3.938 2.941 6.206 1.00 12.25 C ATOM 771 CE1 PHE A 45 -1.747 3.598 7.748 1.00 11.01 C ATOM 772 CE2 PHE A 45 -2.723 2.327 5.978 1.00 61.31 C ATOM 773 CZ PHE A 45 -1.626 2.654 6.750 1.00 44.42 C ATOM 0 H PHE A 45 -5.290 3.281 9.564 1.00 20.02 H new ATOM 0 HA PHE A 45 -4.741 5.971 8.935 1.00 64.21 H new ATOM 0 HB2 PHE A 45 -6.203 3.818 7.348 1.00 61.21 H new ATOM 0 HB3 PHE A 45 -5.579 5.311 6.674 1.00 61.21 H new ATOM 0 HD1 PHE A 45 -3.049 4.952 8.756 1.00 33.32 H new ATOM 0 HD2 PHE A 45 -4.791 2.677 5.599 1.00 12.25 H new ATOM 0 HE1 PHE A 45 -0.891 3.856 8.354 1.00 11.01 H new ATOM 0 HE2 PHE A 45 -2.630 1.590 5.194 1.00 61.31 H new ATOM 0 HZ PHE A 45 -0.676 2.172 6.573 1.00 44.42 H new ATOM 783 N ARG A 46 -7.870 5.340 9.549 1.00 24.13 N ATOM 784 CA ARG A 46 -9.183 5.963 9.777 1.00 3.21 C ATOM 785 C ARG A 46 -9.100 7.136 10.773 1.00 72.34 C ATOM 786 O ARG A 46 -9.976 8.003 10.793 1.00 12.25 O ATOM 787 CB ARG A 46 -10.186 4.910 10.271 1.00 60.31 C ATOM 788 CG ARG A 46 -10.557 3.881 9.206 1.00 72.32 C ATOM 789 CD ARG A 46 -11.445 2.769 9.756 1.00 55.50 C ATOM 790 NE ARG A 46 -12.691 3.274 10.324 1.00 60.40 N ATOM 791 CZ ARG A 46 -13.801 2.590 10.402 1.00 5.14 C ATOM 792 NH1 ARG A 46 -13.882 1.389 9.916 1.00 24.03 N ATOM 793 NH2 ARG A 46 -14.834 3.117 10.968 1.00 14.54 N ATOM 0 H ARG A 46 -7.795 4.384 9.898 1.00 24.13 H new ATOM 0 HA ARG A 46 -9.526 6.370 8.826 1.00 3.21 H new ATOM 0 HB2 ARG A 46 -9.765 4.394 11.134 1.00 60.31 H new ATOM 0 HB3 ARG A 46 -11.091 5.413 10.611 1.00 60.31 H new ATOM 0 HG2 ARG A 46 -11.072 4.381 8.385 1.00 72.32 H new ATOM 0 HG3 ARG A 46 -9.647 3.445 8.793 1.00 72.32 H new ATOM 0 HD2 ARG A 46 -11.674 2.064 8.957 1.00 55.50 H new ATOM 0 HD3 ARG A 46 -10.898 2.218 10.521 1.00 55.50 H new ATOM 0 HE ARG A 46 -12.695 4.228 10.685 1.00 60.40 H new ATOM 0 HH11 ARG A 46 -13.071 0.966 9.465 1.00 24.03 H new ATOM 0 HH12 ARG A 46 -14.757 0.869 9.985 1.00 24.03 H new ATOM 0 HH21 ARG A 46 -14.780 4.061 11.350 1.00 14.54 H new ATOM 0 HH22 ARG A 46 -15.705 2.590 11.033 1.00 14.54 H new ATOM 807 N LYS A 47 -8.043 7.159 11.589 1.00 71.24 N ATOM 808 CA LYS A 47 -7.804 8.263 12.532 1.00 23.11 C ATOM 809 C LYS A 47 -7.651 9.602 11.789 1.00 52.05 C ATOM 810 O LYS A 47 -8.444 10.529 11.974 1.00 41.22 O ATOM 811 CB LYS A 47 -6.542 7.979 13.364 1.00 23.31 C ATOM 812 CG LYS A 47 -6.681 6.804 14.331 1.00 2.23 C ATOM 813 CD LYS A 47 -5.332 6.374 14.911 1.00 63.22 C ATOM 814 CE LYS A 47 -4.581 7.530 15.566 1.00 2.35 C ATOM 815 NZ LYS A 47 -5.326 8.117 16.713 1.00 11.34 N ATOM 0 H LYS A 47 -7.335 6.425 11.618 1.00 71.24 H new ATOM 0 HA LYS A 47 -8.666 8.337 13.195 1.00 23.11 H new ATOM 0 HB2 LYS A 47 -5.711 7.782 12.687 1.00 23.31 H new ATOM 0 HB3 LYS A 47 -6.285 8.874 13.931 1.00 23.31 H new ATOM 0 HG2 LYS A 47 -7.353 7.081 15.143 1.00 2.23 H new ATOM 0 HG3 LYS A 47 -7.138 5.961 13.813 1.00 2.23 H new ATOM 0 HD2 LYS A 47 -5.491 5.586 15.647 1.00 63.22 H new ATOM 0 HD3 LYS A 47 -4.718 5.950 14.117 1.00 63.22 H new ATOM 0 HE2 LYS A 47 -3.608 7.178 15.910 1.00 2.35 H new ATOM 0 HE3 LYS A 47 -4.395 8.305 14.823 1.00 2.35 H new ATOM 0 HZ1 LYS A 47 -4.759 8.875 17.144 1.00 11.34 H new ATOM 0 HZ2 LYS A 47 -6.229 8.508 16.377 1.00 11.34 H new ATOM 0 HZ3 LYS A 47 -5.511 7.378 17.421 1.00 11.34 H new ATOM 829 N GLU A 48 -6.631 9.692 10.939 1.00 72.11 N ATOM 830 CA GLU A 48 -6.392 10.889 10.121 1.00 54.14 C ATOM 831 C GLU A 48 -7.051 10.762 8.734 1.00 23.31 C ATOM 832 O GLU A 48 -6.503 11.219 7.729 1.00 32.50 O ATOM 833 CB GLU A 48 -4.880 11.134 9.967 1.00 14.04 C ATOM 834 CG GLU A 48 -4.209 11.760 11.190 1.00 14.43 C ATOM 835 CD GLU A 48 -4.344 10.923 12.452 1.00 54.13 C ATOM 836 OE1 GLU A 48 -3.662 9.882 12.557 1.00 14.25 O ATOM 837 OE2 GLU A 48 -5.124 11.316 13.351 1.00 44.40 O ATOM 0 H GLU A 48 -5.949 8.947 10.795 1.00 72.11 H new ATOM 0 HA GLU A 48 -6.844 11.739 10.632 1.00 54.14 H new ATOM 0 HB2 GLU A 48 -4.392 10.184 9.747 1.00 14.04 H new ATOM 0 HB3 GLU A 48 -4.716 11.783 9.107 1.00 14.04 H new ATOM 0 HG2 GLU A 48 -3.151 11.912 10.976 1.00 14.43 H new ATOM 0 HG3 GLU A 48 -4.643 12.744 11.368 1.00 14.43 H new ATOM 844 N SER A 49 -8.258 10.198 8.699 1.00 54.11 N ATOM 845 CA SER A 49 -8.983 9.947 7.434 1.00 42.20 C ATOM 846 C SER A 49 -9.366 11.242 6.682 1.00 50.43 C ATOM 847 O SER A 49 -9.988 11.186 5.619 1.00 51.01 O ATOM 848 CB SER A 49 -10.249 9.122 7.715 1.00 52.43 C ATOM 849 OG SER A 49 -10.982 8.849 6.527 1.00 5.12 O ATOM 0 H SER A 49 -8.765 9.901 9.533 1.00 54.11 H new ATOM 0 HA SER A 49 -8.301 9.395 6.787 1.00 42.20 H new ATOM 0 HB2 SER A 49 -9.971 8.183 8.193 1.00 52.43 H new ATOM 0 HB3 SER A 49 -10.885 9.661 8.417 1.00 52.43 H new ATOM 0 HG SER A 49 -10.712 9.477 5.825 1.00 5.12 H new ATOM 855 N GLN A 50 -8.981 12.397 7.221 1.00 13.44 N ATOM 856 CA GLN A 50 -9.346 13.691 6.632 1.00 62.53 C ATOM 857 C GLN A 50 -8.477 14.034 5.405 1.00 14.53 C ATOM 858 O GLN A 50 -8.996 14.299 4.321 1.00 43.13 O ATOM 859 CB GLN A 50 -9.219 14.795 7.689 1.00 63.52 C ATOM 860 CG GLN A 50 -9.959 14.489 8.986 1.00 1.34 C ATOM 861 CD GLN A 50 -9.808 15.588 10.022 1.00 60.01 C ATOM 862 OE1 GLN A 50 -8.861 15.596 10.804 1.00 13.01 O ATOM 863 NE2 GLN A 50 -10.737 16.522 10.040 1.00 60.43 N ATOM 0 H GLN A 50 -8.415 12.467 8.067 1.00 13.44 H new ATOM 0 HA GLN A 50 -10.379 13.621 6.292 1.00 62.53 H new ATOM 0 HB2 GLN A 50 -8.164 14.953 7.912 1.00 63.52 H new ATOM 0 HB3 GLN A 50 -9.601 15.728 7.275 1.00 63.52 H new ATOM 0 HG2 GLN A 50 -11.017 14.343 8.770 1.00 1.34 H new ATOM 0 HG3 GLN A 50 -9.586 13.552 9.400 1.00 1.34 H new ATOM 0 HE21 GLN A 50 -11.510 16.485 9.376 1.00 60.43 H new ATOM 0 HE22 GLN A 50 -10.683 17.282 10.718 1.00 60.43 H new ATOM 872 N ASN A 51 -7.155 14.028 5.580 1.00 21.34 N ATOM 873 CA ASN A 51 -6.222 14.403 4.500 1.00 43.12 C ATOM 874 C ASN A 51 -5.272 13.250 4.147 1.00 70.12 C ATOM 875 O ASN A 51 -4.158 13.472 3.668 1.00 54.32 O ATOM 876 CB ASN A 51 -5.394 15.620 4.926 1.00 20.40 C ATOM 877 CG ASN A 51 -6.253 16.780 5.387 1.00 60.34 C ATOM 878 OD1 ASN A 51 -6.635 17.643 4.599 1.00 62.33 O ATOM 879 ND2 ASN A 51 -6.555 16.817 6.668 1.00 54.33 N ATOM 0 H ASN A 51 -6.700 13.769 6.455 1.00 21.34 H new ATOM 0 HA ASN A 51 -6.817 14.641 3.619 1.00 43.12 H new ATOM 0 HB2 ASN A 51 -4.719 15.331 5.731 1.00 20.40 H new ATOM 0 HB3 ASN A 51 -4.773 15.943 4.090 1.00 20.40 H new ATOM 0 HD21 ASN A 51 -7.124 17.580 7.036 1.00 54.33 H new ATOM 0 HD22 ASN A 51 -6.220 16.083 7.292 1.00 54.33 H new ATOM 886 N ILE A 52 -5.714 12.019 4.365 1.00 24.34 N ATOM 887 CA ILE A 52 -4.849 10.853 4.166 1.00 33.21 C ATOM 888 C ILE A 52 -4.978 10.252 2.754 1.00 2.43 C ATOM 889 O ILE A 52 -6.064 10.211 2.169 1.00 53.23 O ATOM 890 CB ILE A 52 -5.144 9.756 5.220 1.00 45.00 C ATOM 891 CG1 ILE A 52 -4.071 8.656 5.168 1.00 34.44 C ATOM 892 CG2 ILE A 52 -6.541 9.163 5.016 1.00 61.13 C ATOM 893 CD1 ILE A 52 -4.214 7.617 6.259 1.00 50.14 C ATOM 0 H ILE A 52 -6.659 11.797 4.678 1.00 24.34 H new ATOM 0 HA ILE A 52 -3.826 11.211 4.285 1.00 33.21 H new ATOM 0 HB ILE A 52 -5.116 10.216 6.208 1.00 45.00 H new ATOM 0 HG12 ILE A 52 -4.117 8.161 4.198 1.00 34.44 H new ATOM 0 HG13 ILE A 52 -3.086 9.117 5.244 1.00 34.44 H new ATOM 0 HG21 ILE A 52 -6.724 8.396 5.768 1.00 61.13 H new ATOM 0 HG22 ILE A 52 -7.288 9.951 5.112 1.00 61.13 H new ATOM 0 HG23 ILE A 52 -6.607 8.720 4.022 1.00 61.13 H new ATOM 0 HD11 ILE A 52 -3.423 6.873 6.159 1.00 50.14 H new ATOM 0 HD12 ILE A 52 -4.138 8.100 7.233 1.00 50.14 H new ATOM 0 HD13 ILE A 52 -5.184 7.129 6.171 1.00 50.14 H new ATOM 905 N LYS A 53 -3.850 9.809 2.208 1.00 53.25 N ATOM 906 CA LYS A 53 -3.807 9.094 0.929 1.00 23.44 C ATOM 907 C LYS A 53 -3.009 7.793 1.091 1.00 54.32 C ATOM 908 O LYS A 53 -1.847 7.822 1.497 1.00 35.32 O ATOM 909 CB LYS A 53 -3.148 9.974 -0.148 1.00 2.13 C ATOM 910 CG LYS A 53 -3.821 11.334 -0.371 1.00 45.23 C ATOM 911 CD LYS A 53 -4.829 11.315 -1.524 1.00 21.31 C ATOM 912 CE LYS A 53 -6.071 10.481 -1.217 1.00 40.31 C ATOM 913 NZ LYS A 53 -6.908 11.076 -0.141 1.00 15.11 N ATOM 0 H LYS A 53 -2.934 9.934 2.639 1.00 53.25 H new ATOM 0 HA LYS A 53 -4.826 8.859 0.620 1.00 23.44 H new ATOM 0 HB2 LYS A 53 -2.107 10.141 0.127 1.00 2.13 H new ATOM 0 HB3 LYS A 53 -3.145 9.428 -1.091 1.00 2.13 H new ATOM 0 HG2 LYS A 53 -4.329 11.638 0.545 1.00 45.23 H new ATOM 0 HG3 LYS A 53 -3.056 12.084 -0.575 1.00 45.23 H new ATOM 0 HD2 LYS A 53 -5.132 12.337 -1.752 1.00 21.31 H new ATOM 0 HD3 LYS A 53 -4.344 10.920 -2.417 1.00 21.31 H new ATOM 0 HE2 LYS A 53 -6.669 10.379 -2.123 1.00 40.31 H new ATOM 0 HE3 LYS A 53 -5.766 9.477 -0.922 1.00 40.31 H new ATOM 0 HZ1 LYS A 53 -7.912 10.895 -0.342 1.00 15.11 H new ATOM 0 HZ2 LYS A 53 -6.656 10.647 0.772 1.00 15.11 H new ATOM 0 HZ3 LYS A 53 -6.742 12.102 -0.100 1.00 15.11 H new ATOM 927 N VAL A 54 -3.629 6.655 0.796 1.00 35.42 N ATOM 928 CA VAL A 54 -2.963 5.354 0.962 1.00 22.14 C ATOM 929 C VAL A 54 -2.682 4.673 -0.388 1.00 71.02 C ATOM 930 O VAL A 54 -3.585 4.475 -1.193 1.00 72.33 O ATOM 931 CB VAL A 54 -3.813 4.401 1.841 1.00 62.33 C ATOM 932 CG1 VAL A 54 -3.091 3.070 2.062 1.00 1.40 C ATOM 933 CG2 VAL A 54 -4.164 5.060 3.174 1.00 61.44 C ATOM 0 H VAL A 54 -4.584 6.600 0.443 1.00 35.42 H new ATOM 0 HA VAL A 54 -2.012 5.555 1.455 1.00 22.14 H new ATOM 0 HB VAL A 54 -4.743 4.194 1.312 1.00 62.33 H new ATOM 0 HG11 VAL A 54 -3.708 2.420 2.682 1.00 1.40 H new ATOM 0 HG12 VAL A 54 -2.910 2.590 1.100 1.00 1.40 H new ATOM 0 HG13 VAL A 54 -2.139 3.251 2.562 1.00 1.40 H new ATOM 0 HG21 VAL A 54 -4.761 4.373 3.774 1.00 61.44 H new ATOM 0 HG22 VAL A 54 -3.248 5.308 3.710 1.00 61.44 H new ATOM 0 HG23 VAL A 54 -4.735 5.970 2.991 1.00 61.44 H new ATOM 943 N LEU A 55 -1.422 4.326 -0.628 1.00 40.34 N ATOM 944 CA LEU A 55 -1.023 3.564 -1.819 1.00 61.31 C ATOM 945 C LEU A 55 -0.886 2.072 -1.474 1.00 2.15 C ATOM 946 O LEU A 55 -0.195 1.717 -0.524 1.00 44.12 O ATOM 947 CB LEU A 55 0.317 4.095 -2.353 1.00 15.13 C ATOM 948 CG LEU A 55 0.868 3.383 -3.601 1.00 62.34 C ATOM 949 CD1 LEU A 55 0.015 3.693 -4.831 1.00 75.01 C ATOM 950 CD2 LEU A 55 2.330 3.762 -3.833 1.00 3.42 C ATOM 0 H LEU A 55 -0.647 4.561 -0.008 1.00 40.34 H new ATOM 0 HA LEU A 55 -1.790 3.682 -2.584 1.00 61.31 H new ATOM 0 HB2 LEU A 55 0.201 5.154 -2.583 1.00 15.13 H new ATOM 0 HB3 LEU A 55 1.059 4.021 -1.558 1.00 15.13 H new ATOM 0 HG LEU A 55 0.820 2.308 -3.430 1.00 62.34 H new ATOM 0 HD11 LEU A 55 0.427 3.177 -5.699 1.00 75.01 H new ATOM 0 HD12 LEU A 55 -1.007 3.355 -4.659 1.00 75.01 H new ATOM 0 HD13 LEU A 55 0.016 4.768 -5.013 1.00 75.01 H new ATOM 0 HD21 LEU A 55 2.703 3.249 -4.720 1.00 3.42 H new ATOM 0 HD22 LEU A 55 2.408 4.840 -3.978 1.00 3.42 H new ATOM 0 HD23 LEU A 55 2.924 3.468 -2.967 1.00 3.42 H new ATOM 962 N ILE A 56 -1.541 1.198 -2.233 1.00 43.41 N ATOM 963 CA ILE A 56 -1.483 -0.247 -1.968 1.00 12.02 C ATOM 964 C ILE A 56 -0.919 -1.019 -3.172 1.00 74.43 C ATOM 965 O ILE A 56 -1.420 -0.897 -4.288 1.00 73.20 O ATOM 966 CB ILE A 56 -2.881 -0.816 -1.607 1.00 33.13 C ATOM 967 CG1 ILE A 56 -3.480 -0.058 -0.408 1.00 12.41 C ATOM 968 CG2 ILE A 56 -2.791 -2.315 -1.307 1.00 63.14 C ATOM 969 CD1 ILE A 56 -4.861 -0.537 0.000 1.00 63.44 C ATOM 0 H ILE A 56 -2.117 1.457 -3.034 1.00 43.41 H new ATOM 0 HA ILE A 56 -0.815 -0.380 -1.117 1.00 12.02 H new ATOM 0 HB ILE A 56 -3.540 -0.677 -2.464 1.00 33.13 H new ATOM 0 HG12 ILE A 56 -2.807 -0.156 0.444 1.00 12.41 H new ATOM 0 HG13 ILE A 56 -3.532 1.003 -0.652 1.00 12.41 H new ATOM 0 HG21 ILE A 56 -3.781 -2.696 -1.056 1.00 63.14 H new ATOM 0 HG22 ILE A 56 -2.412 -2.839 -2.184 1.00 63.14 H new ATOM 0 HG23 ILE A 56 -2.116 -2.478 -0.467 1.00 63.14 H new ATOM 0 HD11 ILE A 56 -5.212 0.047 0.851 1.00 63.44 H new ATOM 0 HD12 ILE A 56 -5.551 -0.413 -0.835 1.00 63.44 H new ATOM 0 HD13 ILE A 56 -4.814 -1.590 0.278 1.00 63.44 H new ATOM 981 N LEU A 57 0.125 -1.815 -2.936 1.00 61.32 N ATOM 982 CA LEU A 57 0.751 -2.620 -3.996 1.00 40.54 C ATOM 983 C LEU A 57 0.514 -4.115 -3.747 1.00 35.20 C ATOM 984 O LEU A 57 0.994 -4.666 -2.761 1.00 11.54 O ATOM 985 CB LEU A 57 2.266 -2.345 -4.079 1.00 34.44 C ATOM 986 CG LEU A 57 2.684 -0.917 -4.490 1.00 1.23 C ATOM 987 CD1 LEU A 57 1.958 -0.478 -5.761 1.00 71.40 C ATOM 988 CD2 LEU A 57 2.448 0.077 -3.356 1.00 2.43 C ATOM 0 H LEU A 57 0.559 -1.922 -2.019 1.00 61.32 H new ATOM 0 HA LEU A 57 0.292 -2.336 -4.943 1.00 40.54 H new ATOM 0 HB2 LEU A 57 2.706 -2.563 -3.106 1.00 34.44 H new ATOM 0 HB3 LEU A 57 2.702 -3.046 -4.790 1.00 34.44 H new ATOM 0 HG LEU A 57 3.753 -0.933 -4.701 1.00 1.23 H new ATOM 0 HD11 LEU A 57 2.271 0.531 -6.028 1.00 71.40 H new ATOM 0 HD12 LEU A 57 2.203 -1.161 -6.574 1.00 71.40 H new ATOM 0 HD13 LEU A 57 0.882 -0.491 -5.588 1.00 71.40 H new ATOM 0 HD21 LEU A 57 2.752 1.073 -3.676 1.00 2.43 H new ATOM 0 HD22 LEU A 57 1.390 0.087 -3.095 1.00 2.43 H new ATOM 0 HD23 LEU A 57 3.033 -0.219 -2.485 1.00 2.43 H new ATOM 1000 N VAL A 58 -0.216 -4.768 -4.645 1.00 12.35 N ATOM 1001 CA VAL A 58 -0.569 -6.187 -4.473 1.00 44.54 C ATOM 1002 C VAL A 58 0.114 -7.084 -5.516 1.00 40.02 C ATOM 1003 O VAL A 58 0.322 -6.678 -6.656 1.00 14.24 O ATOM 1004 CB VAL A 58 -2.100 -6.387 -4.571 1.00 75.13 C ATOM 1005 CG1 VAL A 58 -2.825 -5.575 -3.501 1.00 32.41 C ATOM 1006 CG2 VAL A 58 -2.600 -6.016 -5.964 1.00 20.50 C ATOM 0 H VAL A 58 -0.578 -4.345 -5.500 1.00 12.35 H new ATOM 0 HA VAL A 58 -0.217 -6.476 -3.483 1.00 44.54 H new ATOM 0 HB VAL A 58 -2.318 -7.441 -4.398 1.00 75.13 H new ATOM 0 HG11 VAL A 58 -3.900 -5.732 -3.591 1.00 32.41 H new ATOM 0 HG12 VAL A 58 -2.493 -5.895 -2.514 1.00 32.41 H new ATOM 0 HG13 VAL A 58 -2.601 -4.517 -3.633 1.00 32.41 H new ATOM 0 HG21 VAL A 58 -3.679 -6.163 -6.014 1.00 20.50 H new ATOM 0 HG22 VAL A 58 -2.366 -4.971 -6.168 1.00 20.50 H new ATOM 0 HG23 VAL A 58 -2.113 -6.649 -6.706 1.00 20.50 H new ATOM 1016 N SER A 59 0.452 -8.309 -5.121 1.00 40.35 N ATOM 1017 CA SER A 59 1.073 -9.278 -6.040 1.00 61.44 C ATOM 1018 C SER A 59 0.028 -10.028 -6.884 1.00 33.42 C ATOM 1019 O SER A 59 0.317 -10.467 -8.001 1.00 45.02 O ATOM 1020 CB SER A 59 1.908 -10.295 -5.250 1.00 11.22 C ATOM 1021 OG SER A 59 1.090 -11.056 -4.372 1.00 51.21 O ATOM 0 H SER A 59 0.309 -8.660 -4.174 1.00 40.35 H new ATOM 0 HA SER A 59 1.713 -8.713 -6.718 1.00 61.44 H new ATOM 0 HB2 SER A 59 2.424 -10.962 -5.941 1.00 11.22 H new ATOM 0 HB3 SER A 59 2.675 -9.774 -4.677 1.00 11.22 H new ATOM 0 HG SER A 59 1.645 -11.698 -3.882 1.00 51.21 H new ATOM 1027 N ASN A 60 -1.186 -10.185 -6.346 1.00 1.23 N ATOM 1028 CA ASN A 60 -2.248 -10.949 -7.026 1.00 41.41 C ATOM 1029 C ASN A 60 -3.485 -10.084 -7.323 1.00 2.01 C ATOM 1030 O ASN A 60 -3.732 -9.079 -6.656 1.00 71.30 O ATOM 1031 CB ASN A 60 -2.678 -12.136 -6.161 1.00 73.43 C ATOM 1032 CG ASN A 60 -1.523 -13.026 -5.743 1.00 51.12 C ATOM 1033 OD1 ASN A 60 -0.556 -13.213 -6.474 1.00 52.23 O ATOM 1034 ND2 ASN A 60 -1.616 -13.585 -4.553 1.00 54.34 N ATOM 0 H ASN A 60 -1.461 -9.796 -5.444 1.00 1.23 H new ATOM 0 HA ASN A 60 -1.834 -11.295 -7.973 1.00 41.41 H new ATOM 0 HB2 ASN A 60 -3.181 -11.763 -5.269 1.00 73.43 H new ATOM 0 HB3 ASN A 60 -3.406 -12.732 -6.711 1.00 73.43 H new ATOM 0 HD21 ASN A 60 -0.870 -14.194 -4.216 1.00 54.34 H new ATOM 0 HD22 ASN A 60 -2.434 -13.409 -3.969 1.00 54.34 H new ATOM 1041 N ASP A 61 -4.277 -10.504 -8.312 1.00 54.31 N ATOM 1042 CA ASP A 61 -5.504 -9.786 -8.689 1.00 34.53 C ATOM 1043 C ASP A 61 -6.599 -9.897 -7.605 1.00 53.21 C ATOM 1044 O ASP A 61 -7.358 -8.954 -7.381 1.00 60.54 O ATOM 1045 CB ASP A 61 -6.027 -10.311 -10.029 1.00 72.54 C ATOM 1046 CG ASP A 61 -6.266 -11.807 -9.999 1.00 4.03 C ATOM 1047 OD1 ASP A 61 -5.293 -12.570 -10.170 1.00 12.52 O ATOM 1048 OD2 ASP A 61 -7.420 -12.226 -9.789 1.00 63.03 O ATOM 0 H ASP A 61 -4.093 -11.338 -8.869 1.00 54.31 H new ATOM 0 HA ASP A 61 -5.251 -8.730 -8.786 1.00 34.53 H new ATOM 0 HB2 ASP A 61 -6.957 -9.800 -10.280 1.00 72.54 H new ATOM 0 HB3 ASP A 61 -5.311 -10.074 -10.816 1.00 72.54 H new ATOM 1053 N GLU A 62 -6.687 -11.054 -6.945 1.00 10.42 N ATOM 1054 CA GLU A 62 -7.638 -11.238 -5.836 1.00 31.32 C ATOM 1055 C GLU A 62 -7.344 -10.246 -4.701 1.00 30.44 C ATOM 1056 O GLU A 62 -8.233 -9.545 -4.218 1.00 63.55 O ATOM 1057 CB GLU A 62 -7.567 -12.679 -5.304 1.00 1.30 C ATOM 1058 CG GLU A 62 -8.545 -12.985 -4.170 1.00 74.13 C ATOM 1059 CD GLU A 62 -10.004 -12.897 -4.597 1.00 32.11 C ATOM 1060 OE1 GLU A 62 -10.522 -13.878 -5.174 1.00 63.24 O ATOM 1061 OE2 GLU A 62 -10.647 -11.854 -4.352 1.00 54.44 O ATOM 0 H GLU A 62 -6.118 -11.874 -7.154 1.00 10.42 H new ATOM 0 HA GLU A 62 -8.643 -11.049 -6.213 1.00 31.32 H new ATOM 0 HB2 GLU A 62 -7.759 -13.367 -6.128 1.00 1.30 H new ATOM 0 HB3 GLU A 62 -6.553 -12.874 -4.955 1.00 1.30 H new ATOM 0 HG2 GLU A 62 -8.345 -13.985 -3.786 1.00 74.13 H new ATOM 0 HG3 GLU A 62 -8.370 -12.288 -3.350 1.00 74.13 H new ATOM 1068 N GLU A 63 -6.079 -10.196 -4.287 1.00 54.14 N ATOM 1069 CA GLU A 63 -5.618 -9.230 -3.284 1.00 72.22 C ATOM 1070 C GLU A 63 -5.880 -7.780 -3.733 1.00 23.12 C ATOM 1071 O GLU A 63 -6.166 -6.914 -2.909 1.00 50.15 O ATOM 1072 CB GLU A 63 -4.122 -9.449 -2.999 1.00 65.20 C ATOM 1073 CG GLU A 63 -3.823 -10.633 -2.073 1.00 13.32 C ATOM 1074 CD GLU A 63 -4.545 -11.918 -2.465 1.00 33.23 C ATOM 1075 OE1 GLU A 63 -4.202 -12.504 -3.509 1.00 51.04 O ATOM 1076 OE2 GLU A 63 -5.460 -12.347 -1.728 1.00 11.13 O ATOM 0 H GLU A 63 -5.348 -10.818 -4.632 1.00 54.14 H new ATOM 0 HA GLU A 63 -6.184 -9.393 -2.367 1.00 72.22 H new ATOM 0 HB2 GLU A 63 -3.603 -9.602 -3.945 1.00 65.20 H new ATOM 0 HB3 GLU A 63 -3.712 -8.542 -2.554 1.00 65.20 H new ATOM 0 HG2 GLU A 63 -2.749 -10.817 -2.070 1.00 13.32 H new ATOM 0 HG3 GLU A 63 -4.104 -10.366 -1.054 1.00 13.32 H new ATOM 1083 N LEU A 64 -5.774 -7.526 -5.040 1.00 72.44 N ATOM 1084 CA LEU A 64 -6.136 -6.221 -5.621 1.00 41.13 C ATOM 1085 C LEU A 64 -7.588 -5.852 -5.270 1.00 62.32 C ATOM 1086 O LEU A 64 -7.864 -4.789 -4.695 1.00 4.35 O ATOM 1087 CB LEU A 64 -5.962 -6.274 -7.152 1.00 32.45 C ATOM 1088 CG LEU A 64 -6.358 -5.005 -7.929 1.00 54.33 C ATOM 1089 CD1 LEU A 64 -5.412 -3.852 -7.616 1.00 63.32 C ATOM 1090 CD2 LEU A 64 -6.395 -5.280 -9.431 1.00 5.01 C ATOM 0 H LEU A 64 -5.440 -8.207 -5.722 1.00 72.44 H new ATOM 0 HA LEU A 64 -5.479 -5.457 -5.205 1.00 41.13 H new ATOM 0 HB2 LEU A 64 -4.917 -6.496 -7.370 1.00 32.45 H new ATOM 0 HB3 LEU A 64 -6.552 -7.107 -7.535 1.00 32.45 H new ATOM 0 HG LEU A 64 -7.359 -4.715 -7.609 1.00 54.33 H new ATOM 0 HD11 LEU A 64 -5.716 -2.969 -8.179 1.00 63.32 H new ATOM 0 HD12 LEU A 64 -5.447 -3.632 -6.549 1.00 63.32 H new ATOM 0 HD13 LEU A 64 -4.396 -4.129 -7.896 1.00 63.32 H new ATOM 0 HD21 LEU A 64 -6.677 -4.370 -9.961 1.00 5.01 H new ATOM 0 HD22 LEU A 64 -5.410 -5.604 -9.766 1.00 5.01 H new ATOM 0 HD23 LEU A 64 -7.125 -6.062 -9.640 1.00 5.01 H new ATOM 1102 N ASP A 65 -8.500 -6.756 -5.612 1.00 21.43 N ATOM 1103 CA ASP A 65 -9.930 -6.584 -5.346 1.00 64.14 C ATOM 1104 C ASP A 65 -10.199 -6.445 -3.838 1.00 63.04 C ATOM 1105 O ASP A 65 -10.896 -5.532 -3.403 1.00 11.25 O ATOM 1106 CB ASP A 65 -10.696 -7.781 -5.924 1.00 52.32 C ATOM 1107 CG ASP A 65 -12.192 -7.537 -6.012 1.00 44.01 C ATOM 1108 OD1 ASP A 65 -12.904 -7.813 -5.029 1.00 54.35 O ATOM 1109 OD2 ASP A 65 -12.667 -7.084 -7.076 1.00 14.14 O ATOM 0 H ASP A 65 -8.271 -7.632 -6.083 1.00 21.43 H new ATOM 0 HA ASP A 65 -10.273 -5.667 -5.825 1.00 64.14 H new ATOM 0 HB2 ASP A 65 -10.311 -8.007 -6.918 1.00 52.32 H new ATOM 0 HB3 ASP A 65 -10.512 -8.658 -5.304 1.00 52.32 H new ATOM 1114 N LYS A 66 -9.621 -7.344 -3.047 1.00 45.43 N ATOM 1115 CA LYS A 66 -9.822 -7.347 -1.592 1.00 74.03 C ATOM 1116 C LYS A 66 -9.275 -6.079 -0.915 1.00 4.13 C ATOM 1117 O LYS A 66 -9.906 -5.537 -0.007 1.00 73.11 O ATOM 1118 CB LYS A 66 -9.184 -8.595 -0.969 1.00 21.25 C ATOM 1119 CG LYS A 66 -9.883 -9.898 -1.353 1.00 25.24 C ATOM 1120 CD LYS A 66 -11.345 -9.911 -0.902 1.00 61.21 C ATOM 1121 CE LYS A 66 -11.473 -9.780 0.611 1.00 33.34 C ATOM 1122 NZ LYS A 66 -12.890 -9.814 1.061 1.00 42.01 N ATOM 0 H LYS A 66 -9.007 -8.084 -3.386 1.00 45.43 H new ATOM 0 HA LYS A 66 -10.898 -7.362 -1.421 1.00 74.03 H new ATOM 0 HB2 LYS A 66 -8.139 -8.650 -1.275 1.00 21.25 H new ATOM 0 HB3 LYS A 66 -9.193 -8.494 0.116 1.00 21.25 H new ATOM 0 HG2 LYS A 66 -9.834 -10.032 -2.434 1.00 25.24 H new ATOM 0 HG3 LYS A 66 -9.356 -10.740 -0.903 1.00 25.24 H new ATOM 0 HD2 LYS A 66 -11.881 -9.093 -1.384 1.00 61.21 H new ATOM 0 HD3 LYS A 66 -11.817 -10.838 -1.228 1.00 61.21 H new ATOM 0 HE2 LYS A 66 -10.922 -10.588 1.092 1.00 33.34 H new ATOM 0 HE3 LYS A 66 -11.014 -8.845 0.933 1.00 33.34 H new ATOM 0 HZ1 LYS A 66 -12.926 -10.011 2.082 1.00 42.01 H new ATOM 0 HZ2 LYS A 66 -13.337 -8.895 0.870 1.00 42.01 H new ATOM 0 HZ3 LYS A 66 -13.400 -10.560 0.546 1.00 42.01 H new ATOM 1136 N ALA A 67 -8.109 -5.610 -1.353 1.00 51.33 N ATOM 1137 CA ALA A 67 -7.491 -4.415 -0.766 1.00 32.24 C ATOM 1138 C ALA A 67 -8.402 -3.182 -0.892 1.00 71.22 C ATOM 1139 O ALA A 67 -8.653 -2.478 0.088 1.00 1.03 O ATOM 1140 CB ALA A 67 -6.138 -4.145 -1.416 1.00 12.22 C ATOM 0 H ALA A 67 -7.572 -6.034 -2.109 1.00 51.33 H new ATOM 0 HA ALA A 67 -7.343 -4.608 0.297 1.00 32.24 H new ATOM 0 HB1 ALA A 67 -5.691 -3.256 -0.971 1.00 12.22 H new ATOM 0 HB2 ALA A 67 -5.481 -5.000 -1.257 1.00 12.22 H new ATOM 0 HB3 ALA A 67 -6.274 -3.986 -2.486 1.00 12.22 H new ATOM 1146 N LYS A 68 -8.893 -2.926 -2.105 1.00 22.51 N ATOM 1147 CA LYS A 68 -9.813 -1.804 -2.339 1.00 52.43 C ATOM 1148 C LYS A 68 -11.182 -2.062 -1.682 1.00 54.45 C ATOM 1149 O LYS A 68 -11.808 -1.150 -1.140 1.00 1.52 O ATOM 1150 CB LYS A 68 -9.969 -1.555 -3.848 1.00 2.53 C ATOM 1151 CG LYS A 68 -10.582 -2.726 -4.618 1.00 20.43 C ATOM 1152 CD LYS A 68 -10.524 -2.513 -6.131 1.00 12.34 C ATOM 1153 CE LYS A 68 -11.294 -1.269 -6.562 1.00 32.12 C ATOM 1154 NZ LYS A 68 -11.168 -1.022 -8.022 1.00 34.12 N ATOM 0 H LYS A 68 -8.673 -3.474 -2.937 1.00 22.51 H new ATOM 0 HA LYS A 68 -9.390 -0.911 -1.879 1.00 52.43 H new ATOM 0 HB2 LYS A 68 -10.591 -0.672 -3.997 1.00 2.53 H new ATOM 0 HB3 LYS A 68 -8.990 -1.330 -4.271 1.00 2.53 H new ATOM 0 HG2 LYS A 68 -10.054 -3.644 -4.361 1.00 20.43 H new ATOM 0 HG3 LYS A 68 -11.619 -2.858 -4.310 1.00 20.43 H new ATOM 0 HD2 LYS A 68 -9.484 -2.423 -6.445 1.00 12.34 H new ATOM 0 HD3 LYS A 68 -10.935 -3.387 -6.636 1.00 12.34 H new ATOM 0 HE2 LYS A 68 -12.346 -1.384 -6.302 1.00 32.12 H new ATOM 0 HE3 LYS A 68 -10.923 -0.403 -6.013 1.00 32.12 H new ATOM 0 HZ1 LYS A 68 -11.705 -0.168 -8.277 1.00 34.12 H new ATOM 0 HZ2 LYS A 68 -10.166 -0.887 -8.266 1.00 34.12 H new ATOM 0 HZ3 LYS A 68 -11.545 -1.837 -8.546 1.00 34.12 H new ATOM 1168 N GLU A 69 -11.624 -3.318 -1.723 1.00 74.11 N ATOM 1169 CA GLU A 69 -12.888 -3.749 -1.121 1.00 34.51 C ATOM 1170 C GLU A 69 -12.960 -3.379 0.372 1.00 31.10 C ATOM 1171 O GLU A 69 -13.908 -2.732 0.826 1.00 71.03 O ATOM 1172 CB GLU A 69 -12.987 -5.265 -1.308 1.00 31.14 C ATOM 1173 CG GLU A 69 -14.366 -5.868 -1.115 1.00 65.41 C ATOM 1174 CD GLU A 69 -14.643 -6.295 0.321 1.00 33.24 C ATOM 1175 OE1 GLU A 69 -14.038 -7.287 0.782 1.00 34.32 O ATOM 1176 OE2 GLU A 69 -15.461 -5.641 0.998 1.00 13.44 O ATOM 0 H GLU A 69 -11.111 -4.073 -2.179 1.00 74.11 H new ATOM 0 HA GLU A 69 -13.723 -3.243 -1.606 1.00 34.51 H new ATOM 0 HB2 GLU A 69 -12.641 -5.511 -2.312 1.00 31.14 H new ATOM 0 HB3 GLU A 69 -12.301 -5.743 -0.609 1.00 31.14 H new ATOM 0 HG2 GLU A 69 -15.118 -5.142 -1.422 1.00 65.41 H new ATOM 0 HG3 GLU A 69 -14.472 -6.733 -1.770 1.00 65.41 H new ATOM 1183 N LEU A 70 -11.945 -3.791 1.130 1.00 4.54 N ATOM 1184 CA LEU A 70 -11.865 -3.478 2.560 1.00 31.12 C ATOM 1185 C LEU A 70 -11.835 -1.958 2.791 1.00 11.43 C ATOM 1186 O LEU A 70 -12.587 -1.428 3.611 1.00 45.50 O ATOM 1187 CB LEU A 70 -10.618 -4.127 3.177 1.00 22.35 C ATOM 1188 CG LEU A 70 -10.552 -5.661 3.067 1.00 2.21 C ATOM 1189 CD1 LEU A 70 -9.215 -6.180 3.582 1.00 3.01 C ATOM 1190 CD2 LEU A 70 -11.711 -6.314 3.821 1.00 22.43 C ATOM 0 H LEU A 70 -11.163 -4.344 0.778 1.00 4.54 H new ATOM 0 HA LEU A 70 -12.754 -3.881 3.044 1.00 31.12 H new ATOM 0 HB2 LEU A 70 -9.734 -3.706 2.697 1.00 22.35 H new ATOM 0 HB3 LEU A 70 -10.569 -3.852 4.231 1.00 22.35 H new ATOM 0 HG LEU A 70 -10.641 -5.928 2.014 1.00 2.21 H new ATOM 0 HD11 LEU A 70 -9.189 -7.266 3.496 1.00 3.01 H new ATOM 0 HD12 LEU A 70 -8.406 -5.749 2.992 1.00 3.01 H new ATOM 0 HD13 LEU A 70 -9.093 -5.896 4.627 1.00 3.01 H new ATOM 0 HD21 LEU A 70 -11.641 -7.398 3.728 1.00 22.43 H new ATOM 0 HD22 LEU A 70 -11.662 -6.037 4.874 1.00 22.43 H new ATOM 0 HD23 LEU A 70 -12.657 -5.974 3.400 1.00 22.43 H new ATOM 1202 N ALA A 71 -10.971 -1.267 2.050 1.00 2.43 N ATOM 1203 CA ALA A 71 -10.827 0.189 2.168 1.00 44.13 C ATOM 1204 C ALA A 71 -12.150 0.930 1.923 1.00 63.15 C ATOM 1205 O ALA A 71 -12.466 1.903 2.614 1.00 61.13 O ATOM 1206 CB ALA A 71 -9.762 0.680 1.201 1.00 52.05 C ATOM 0 H ALA A 71 -10.355 -1.692 1.357 1.00 2.43 H new ATOM 0 HA ALA A 71 -10.524 0.407 3.192 1.00 44.13 H new ATOM 0 HB1 ALA A 71 -9.659 1.761 1.292 1.00 52.05 H new ATOM 0 HB2 ALA A 71 -8.810 0.203 1.435 1.00 52.05 H new ATOM 0 HB3 ALA A 71 -10.053 0.428 0.181 1.00 52.05 H new ATOM 1212 N GLN A 72 -12.920 0.469 0.938 1.00 54.20 N ATOM 1213 CA GLN A 72 -14.225 1.068 0.628 1.00 14.01 C ATOM 1214 C GLN A 72 -15.212 0.912 1.794 1.00 41.42 C ATOM 1215 O GLN A 72 -15.976 1.830 2.098 1.00 3.32 O ATOM 1216 CB GLN A 72 -14.805 0.447 -0.652 1.00 4.13 C ATOM 1217 CG GLN A 72 -14.055 0.847 -1.920 1.00 64.43 C ATOM 1218 CD GLN A 72 -14.593 0.167 -3.168 1.00 23.40 C ATOM 1219 OE1 GLN A 72 -15.773 -0.157 -3.260 1.00 4.51 O ATOM 1220 NE2 GLN A 72 -13.736 -0.042 -4.146 1.00 62.44 N ATOM 0 H GLN A 72 -12.666 -0.317 0.339 1.00 54.20 H new ATOM 0 HA GLN A 72 -14.071 2.135 0.468 1.00 14.01 H new ATOM 0 HB2 GLN A 72 -14.790 -0.639 -0.558 1.00 4.13 H new ATOM 0 HB3 GLN A 72 -15.849 0.744 -0.749 1.00 4.13 H new ATOM 0 HG2 GLN A 72 -14.117 1.928 -2.047 1.00 64.43 H new ATOM 0 HG3 GLN A 72 -13.000 0.600 -1.805 1.00 64.43 H new ATOM 0 HE21 GLN A 72 -12.761 0.239 -4.039 1.00 62.44 H new ATOM 0 HE22 GLN A 72 -14.047 -0.485 -5.011 1.00 62.44 H new ATOM 1229 N LYS A 73 -15.192 -0.244 2.457 1.00 11.55 N ATOM 1230 CA LYS A 73 -16.056 -0.467 3.623 1.00 31.54 C ATOM 1231 C LYS A 73 -15.566 0.333 4.842 1.00 74.15 C ATOM 1232 O LYS A 73 -16.365 0.801 5.657 1.00 3.30 O ATOM 1233 CB LYS A 73 -16.136 -1.959 3.977 1.00 43.32 C ATOM 1234 CG LYS A 73 -16.567 -2.856 2.815 1.00 55.25 C ATOM 1235 CD LYS A 73 -17.127 -4.194 3.302 1.00 64.24 C ATOM 1236 CE LYS A 73 -16.162 -4.922 4.230 1.00 63.10 C ATOM 1237 NZ LYS A 73 -14.857 -5.193 3.579 1.00 0.24 N ATOM 0 H LYS A 73 -14.595 -1.034 2.213 1.00 11.55 H new ATOM 0 HA LYS A 73 -17.053 -0.117 3.356 1.00 31.54 H new ATOM 0 HB2 LYS A 73 -15.160 -2.289 4.334 1.00 43.32 H new ATOM 0 HB3 LYS A 73 -16.838 -2.088 4.801 1.00 43.32 H new ATOM 0 HG2 LYS A 73 -17.322 -2.342 2.220 1.00 55.25 H new ATOM 0 HG3 LYS A 73 -15.714 -3.036 2.160 1.00 55.25 H new ATOM 0 HD2 LYS A 73 -18.069 -4.023 3.823 1.00 64.24 H new ATOM 0 HD3 LYS A 73 -17.348 -4.827 2.443 1.00 64.24 H new ATOM 0 HE2 LYS A 73 -16.002 -4.324 5.127 1.00 63.10 H new ATOM 0 HE3 LYS A 73 -16.609 -5.863 4.551 1.00 63.10 H new ATOM 0 HZ1 LYS A 73 -14.599 -6.190 3.721 1.00 0.24 H new ATOM 0 HZ2 LYS A 73 -14.930 -4.996 2.560 1.00 0.24 H new ATOM 0 HZ3 LYS A 73 -14.126 -4.583 3.998 1.00 0.24 H new ATOM 1251 N MET A 74 -14.246 0.480 4.960 1.00 50.12 N ATOM 1252 CA MET A 74 -13.632 1.262 6.046 1.00 4.50 C ATOM 1253 C MET A 74 -13.707 2.775 5.761 1.00 71.15 C ATOM 1254 O MET A 74 -13.398 3.597 6.628 1.00 43.34 O ATOM 1255 CB MET A 74 -12.167 0.834 6.228 1.00 74.04 C ATOM 1256 CG MET A 74 -12.002 -0.653 6.529 1.00 60.01 C ATOM 1257 SD MET A 74 -12.526 -1.104 8.199 1.00 43.14 S ATOM 1258 CE MET A 74 -11.075 -0.653 9.153 1.00 74.13 C ATOM 0 H MET A 74 -13.573 0.067 4.314 1.00 50.12 H new ATOM 0 HA MET A 74 -14.188 1.066 6.963 1.00 4.50 H new ATOM 0 HB2 MET A 74 -11.610 1.078 5.323 1.00 74.04 H new ATOM 0 HB3 MET A 74 -11.726 1.412 7.040 1.00 74.04 H new ATOM 0 HG2 MET A 74 -12.579 -1.230 5.806 1.00 60.01 H new ATOM 0 HG3 MET A 74 -10.956 -0.930 6.396 1.00 60.01 H new ATOM 0 HE1 MET A 74 -11.378 -0.069 10.022 1.00 74.13 H new ATOM 0 HE2 MET A 74 -10.562 -1.556 9.484 1.00 74.13 H new ATOM 0 HE3 MET A 74 -10.402 -0.060 8.534 1.00 74.13 H new ATOM 1268 N GLU A 75 -14.120 3.116 4.536 1.00 22.32 N ATOM 1269 CA GLU A 75 -14.266 4.511 4.089 1.00 25.23 C ATOM 1270 C GLU A 75 -12.918 5.254 4.065 1.00 4.10 C ATOM 1271 O GLU A 75 -12.718 6.236 4.781 1.00 13.14 O ATOM 1272 CB GLU A 75 -15.286 5.271 4.956 1.00 24.31 C ATOM 1273 CG GLU A 75 -16.665 4.615 5.011 1.00 20.21 C ATOM 1274 CD GLU A 75 -17.692 5.449 5.763 1.00 42.44 C ATOM 1275 OE1 GLU A 75 -17.370 5.959 6.859 1.00 1.24 O ATOM 1276 OE2 GLU A 75 -18.825 5.606 5.261 1.00 31.42 O ATOM 0 H GLU A 75 -14.364 2.431 3.821 1.00 22.32 H new ATOM 0 HA GLU A 75 -14.641 4.476 3.066 1.00 25.23 H new ATOM 0 HB2 GLU A 75 -14.894 5.356 5.970 1.00 24.31 H new ATOM 0 HB3 GLU A 75 -15.392 6.285 4.570 1.00 24.31 H new ATOM 0 HG2 GLU A 75 -17.020 4.442 3.995 1.00 20.21 H new ATOM 0 HG3 GLU A 75 -16.578 3.639 5.489 1.00 20.21 H new ATOM 1283 N ILE A 76 -11.988 4.767 3.241 1.00 62.54 N ATOM 1284 CA ILE A 76 -10.669 5.402 3.082 1.00 54.41 C ATOM 1285 C ILE A 76 -10.302 5.563 1.596 1.00 23.50 C ATOM 1286 O ILE A 76 -10.645 4.716 0.766 1.00 61.15 O ATOM 1287 CB ILE A 76 -9.553 4.581 3.788 1.00 43.21 C ATOM 1288 CG1 ILE A 76 -9.892 4.361 5.272 1.00 34.23 C ATOM 1289 CG2 ILE A 76 -8.195 5.275 3.647 1.00 20.31 C ATOM 1290 CD1 ILE A 76 -8.869 3.529 6.017 1.00 63.22 C ATOM 0 H ILE A 76 -12.120 3.932 2.670 1.00 62.54 H new ATOM 0 HA ILE A 76 -10.739 6.386 3.546 1.00 54.41 H new ATOM 0 HB ILE A 76 -9.493 3.607 3.302 1.00 43.21 H new ATOM 0 HG12 ILE A 76 -9.984 5.331 5.761 1.00 34.23 H new ATOM 0 HG13 ILE A 76 -10.865 3.874 5.344 1.00 34.23 H new ATOM 0 HG21 ILE A 76 -7.430 4.683 4.149 1.00 20.31 H new ATOM 0 HG22 ILE A 76 -7.944 5.372 2.591 1.00 20.31 H new ATOM 0 HG23 ILE A 76 -8.243 6.265 4.101 1.00 20.31 H new ATOM 0 HD11 ILE A 76 -9.178 3.418 7.056 1.00 63.22 H new ATOM 0 HD12 ILE A 76 -8.793 2.545 5.554 1.00 63.22 H new ATOM 0 HD13 ILE A 76 -7.899 4.024 5.978 1.00 63.22 H new ATOM 1302 N ASP A 77 -9.618 6.659 1.261 1.00 34.41 N ATOM 1303 CA ASP A 77 -9.100 6.872 -0.098 1.00 71.24 C ATOM 1304 C ASP A 77 -7.795 6.094 -0.328 1.00 5.42 C ATOM 1305 O ASP A 77 -6.752 6.417 0.254 1.00 11.43 O ATOM 1306 CB ASP A 77 -8.852 8.363 -0.351 1.00 13.20 C ATOM 1307 CG ASP A 77 -10.134 9.158 -0.489 1.00 21.02 C ATOM 1308 OD1 ASP A 77 -10.689 9.195 -1.608 1.00 13.45 O ATOM 1309 OD2 ASP A 77 -10.573 9.771 0.503 1.00 13.43 O ATOM 0 H ASP A 77 -9.408 7.416 1.912 1.00 34.41 H new ATOM 0 HA ASP A 77 -9.853 6.504 -0.795 1.00 71.24 H new ATOM 0 HB2 ASP A 77 -8.263 8.773 0.469 1.00 13.20 H new ATOM 0 HB3 ASP A 77 -8.259 8.479 -1.258 1.00 13.20 H new ATOM 1314 N VAL A 78 -7.850 5.073 -1.181 1.00 12.44 N ATOM 1315 CA VAL A 78 -6.674 4.249 -1.484 1.00 13.42 C ATOM 1316 C VAL A 78 -6.342 4.236 -2.984 1.00 23.45 C ATOM 1317 O VAL A 78 -7.185 4.543 -3.831 1.00 52.41 O ATOM 1318 CB VAL A 78 -6.864 2.791 -0.995 1.00 51.12 C ATOM 1319 CG1 VAL A 78 -7.038 2.749 0.523 1.00 14.42 C ATOM 1320 CG2 VAL A 78 -8.050 2.129 -1.700 1.00 43.33 C ATOM 0 H VAL A 78 -8.696 4.794 -1.677 1.00 12.44 H new ATOM 0 HA VAL A 78 -5.841 4.706 -0.949 1.00 13.42 H new ATOM 0 HB VAL A 78 -5.966 2.228 -1.249 1.00 51.12 H new ATOM 0 HG11 VAL A 78 -7.170 1.716 0.846 1.00 14.42 H new ATOM 0 HG12 VAL A 78 -6.154 3.169 1.002 1.00 14.42 H new ATOM 0 HG13 VAL A 78 -7.915 3.332 0.805 1.00 14.42 H new ATOM 0 HG21 VAL A 78 -8.163 1.106 -1.340 1.00 43.33 H new ATOM 0 HG22 VAL A 78 -8.959 2.691 -1.488 1.00 43.33 H new ATOM 0 HG23 VAL A 78 -7.874 2.117 -2.776 1.00 43.33 H new ATOM 1330 N ARG A 79 -5.096 3.885 -3.294 1.00 53.31 N ATOM 1331 CA ARG A 79 -4.628 3.735 -4.673 1.00 32.45 C ATOM 1332 C ARG A 79 -4.017 2.339 -4.846 1.00 34.42 C ATOM 1333 O ARG A 79 -2.820 2.142 -4.632 1.00 34.24 O ATOM 1334 CB ARG A 79 -3.582 4.815 -5.012 1.00 12.20 C ATOM 1335 CG ARG A 79 -3.951 6.218 -4.530 1.00 22.30 C ATOM 1336 CD ARG A 79 -2.944 7.266 -4.999 1.00 2.21 C ATOM 1337 NE ARG A 79 -3.019 7.498 -6.442 1.00 50.24 N ATOM 1338 CZ ARG A 79 -1.995 7.776 -7.205 1.00 14.24 C ATOM 1339 NH1 ARG A 79 -0.791 7.788 -6.726 1.00 34.24 N ATOM 1340 NH2 ARG A 79 -2.178 8.024 -8.459 1.00 62.10 N ATOM 0 H ARG A 79 -4.379 3.696 -2.594 1.00 53.31 H new ATOM 0 HA ARG A 79 -5.472 3.854 -5.352 1.00 32.45 H new ATOM 0 HB2 ARG A 79 -2.627 4.531 -4.571 1.00 12.20 H new ATOM 0 HB3 ARG A 79 -3.439 4.840 -6.092 1.00 12.20 H new ATOM 0 HG2 ARG A 79 -4.944 6.479 -4.898 1.00 22.30 H new ATOM 0 HG3 ARG A 79 -4.002 6.226 -3.441 1.00 22.30 H new ATOM 0 HD2 ARG A 79 -3.125 8.203 -4.472 1.00 2.21 H new ATOM 0 HD3 ARG A 79 -1.937 6.943 -4.737 1.00 2.21 H new ATOM 0 HE ARG A 79 -3.936 7.438 -6.884 1.00 50.24 H new ATOM 0 HH11 ARG A 79 -0.632 7.579 -5.740 1.00 34.24 H new ATOM 0 HH12 ARG A 79 -0.002 8.007 -7.335 1.00 34.24 H new ATOM 0 HH21 ARG A 79 -3.119 8.003 -8.851 1.00 62.10 H new ATOM 0 HH22 ARG A 79 -1.381 8.241 -9.057 1.00 62.10 H new ATOM 1354 N THR A 80 -4.843 1.362 -5.195 1.00 51.34 N ATOM 1355 CA THR A 80 -4.402 -0.037 -5.236 1.00 45.42 C ATOM 1356 C THR A 80 -3.954 -0.462 -6.642 1.00 4.01 C ATOM 1357 O THR A 80 -4.762 -0.533 -7.570 1.00 52.41 O ATOM 1358 CB THR A 80 -5.518 -0.994 -4.748 1.00 55.44 C ATOM 1359 OG1 THR A 80 -6.129 -0.471 -3.556 1.00 2.10 O ATOM 1360 CG2 THR A 80 -4.961 -2.384 -4.452 1.00 12.33 C ATOM 0 H THR A 80 -5.819 1.505 -5.454 1.00 51.34 H new ATOM 0 HA THR A 80 -3.546 -0.106 -4.564 1.00 45.42 H new ATOM 0 HB THR A 80 -6.260 -1.074 -5.543 1.00 55.44 H new ATOM 0 HG1 THR A 80 -6.834 -1.081 -3.255 1.00 2.10 H new ATOM 0 HG21 THR A 80 -5.767 -3.034 -4.111 1.00 12.33 H new ATOM 0 HG22 THR A 80 -4.518 -2.799 -5.357 1.00 12.33 H new ATOM 0 HG23 THR A 80 -4.199 -2.313 -3.675 1.00 12.33 H new ATOM 1368 N ARG A 81 -2.660 -0.744 -6.787 1.00 0.21 N ATOM 1369 CA ARG A 81 -2.084 -1.200 -8.059 1.00 34.51 C ATOM 1370 C ARG A 81 -1.442 -2.587 -7.903 1.00 44.14 C ATOM 1371 O ARG A 81 -0.959 -2.939 -6.826 1.00 43.41 O ATOM 1372 CB ARG A 81 -1.031 -0.193 -8.553 1.00 13.53 C ATOM 1373 CG ARG A 81 -1.580 1.209 -8.803 1.00 71.11 C ATOM 1374 CD ARG A 81 -2.652 1.210 -9.887 1.00 53.20 C ATOM 1375 NE ARG A 81 -3.170 2.552 -10.153 1.00 63.41 N ATOM 1376 CZ ARG A 81 -3.995 2.844 -11.122 1.00 23.43 C ATOM 1377 NH1 ARG A 81 -4.419 1.921 -11.925 1.00 34.31 N ATOM 1378 NH2 ARG A 81 -4.398 4.062 -11.282 1.00 22.21 N ATOM 0 H ARG A 81 -1.980 -0.664 -6.031 1.00 0.21 H new ATOM 0 HA ARG A 81 -2.888 -1.270 -8.791 1.00 34.51 H new ATOM 0 HB2 ARG A 81 -0.229 -0.132 -7.817 1.00 13.53 H new ATOM 0 HB3 ARG A 81 -0.589 -0.569 -9.476 1.00 13.53 H new ATOM 0 HG2 ARG A 81 -1.998 1.607 -7.878 1.00 71.11 H new ATOM 0 HG3 ARG A 81 -0.766 1.872 -9.096 1.00 71.11 H new ATOM 0 HD2 ARG A 81 -2.238 0.794 -10.805 1.00 53.20 H new ATOM 0 HD3 ARG A 81 -3.473 0.559 -9.584 1.00 53.20 H new ATOM 0 HE ARG A 81 -2.867 3.310 -9.541 1.00 63.41 H new ATOM 0 HH11 ARG A 81 -4.109 0.957 -11.803 1.00 34.31 H new ATOM 0 HH12 ARG A 81 -5.063 2.158 -12.679 1.00 34.31 H new ATOM 0 HH21 ARG A 81 -4.071 4.794 -10.651 1.00 22.21 H new ATOM 0 HH22 ARG A 81 -5.042 4.291 -12.039 1.00 22.21 H new ATOM 1392 N LYS A 82 -1.442 -3.381 -8.973 1.00 55.15 N ATOM 1393 CA LYS A 82 -0.837 -4.718 -8.931 1.00 62.31 C ATOM 1394 C LYS A 82 0.617 -4.700 -9.435 1.00 32.31 C ATOM 1395 O LYS A 82 0.907 -4.209 -10.531 1.00 33.30 O ATOM 1396 CB LYS A 82 -1.655 -5.717 -9.762 1.00 75.03 C ATOM 1397 CG LYS A 82 -1.244 -7.173 -9.541 1.00 24.44 C ATOM 1398 CD LYS A 82 -1.954 -8.127 -10.498 1.00 65.00 C ATOM 1399 CE LYS A 82 -1.464 -7.959 -11.933 1.00 14.24 C ATOM 1400 NZ LYS A 82 -2.096 -8.937 -12.854 1.00 21.12 N ATOM 0 H LYS A 82 -1.849 -3.128 -9.873 1.00 55.15 H new ATOM 0 HA LYS A 82 -0.837 -5.034 -7.888 1.00 62.31 H new ATOM 0 HB2 LYS A 82 -2.711 -5.604 -9.516 1.00 75.03 H new ATOM 0 HB3 LYS A 82 -1.547 -5.473 -10.819 1.00 75.03 H new ATOM 0 HG2 LYS A 82 -0.166 -7.268 -9.671 1.00 24.44 H new ATOM 0 HG3 LYS A 82 -1.468 -7.459 -8.513 1.00 24.44 H new ATOM 0 HD2 LYS A 82 -1.789 -9.155 -10.176 1.00 65.00 H new ATOM 0 HD3 LYS A 82 -3.029 -7.949 -10.458 1.00 65.00 H new ATOM 0 HE2 LYS A 82 -1.681 -6.947 -12.274 1.00 14.24 H new ATOM 0 HE3 LYS A 82 -0.381 -8.080 -11.963 1.00 14.24 H new ATOM 0 HZ1 LYS A 82 -1.736 -8.789 -13.818 1.00 21.12 H new ATOM 0 HZ2 LYS A 82 -1.868 -9.903 -12.544 1.00 21.12 H new ATOM 0 HZ3 LYS A 82 -3.128 -8.805 -12.846 1.00 21.12 H new ATOM 1414 N VAL A 83 1.527 -5.246 -8.633 1.00 62.21 N ATOM 1415 CA VAL A 83 2.940 -5.340 -9.005 1.00 63.40 C ATOM 1416 C VAL A 83 3.414 -6.804 -9.040 1.00 72.35 C ATOM 1417 O VAL A 83 3.118 -7.586 -8.139 1.00 21.34 O ATOM 1418 CB VAL A 83 3.832 -4.529 -8.024 1.00 55.42 C ATOM 1419 CG1 VAL A 83 3.445 -3.050 -8.038 1.00 75.52 C ATOM 1420 CG2 VAL A 83 3.749 -5.091 -6.602 1.00 4.14 C ATOM 0 H VAL A 83 1.311 -5.633 -7.714 1.00 62.21 H new ATOM 0 HA VAL A 83 3.036 -4.917 -10.005 1.00 63.40 H new ATOM 0 HB VAL A 83 4.864 -4.621 -8.362 1.00 55.42 H new ATOM 0 HG11 VAL A 83 4.082 -2.501 -7.344 1.00 75.52 H new ATOM 0 HG12 VAL A 83 3.574 -2.650 -9.044 1.00 75.52 H new ATOM 0 HG13 VAL A 83 2.403 -2.944 -7.736 1.00 75.52 H new ATOM 0 HG21 VAL A 83 4.384 -4.502 -5.940 1.00 4.14 H new ATOM 0 HG22 VAL A 83 2.718 -5.044 -6.252 1.00 4.14 H new ATOM 0 HG23 VAL A 83 4.086 -6.128 -6.600 1.00 4.14 H new ATOM 1430 N THR A 84 4.143 -7.176 -10.091 1.00 60.11 N ATOM 1431 CA THR A 84 4.720 -8.530 -10.193 1.00 41.45 C ATOM 1432 C THR A 84 6.254 -8.482 -10.210 1.00 23.12 C ATOM 1433 O THR A 84 6.922 -9.509 -10.345 1.00 41.41 O ATOM 1434 CB THR A 84 4.233 -9.269 -11.463 1.00 45.14 C ATOM 1435 OG1 THR A 84 4.669 -8.567 -12.639 1.00 73.30 O ATOM 1436 CG2 THR A 84 2.712 -9.398 -11.480 1.00 62.34 C ATOM 0 H THR A 84 4.351 -6.568 -10.883 1.00 60.11 H new ATOM 0 HA THR A 84 4.381 -9.075 -9.312 1.00 41.45 H new ATOM 0 HB THR A 84 4.663 -10.271 -11.453 1.00 45.14 H new ATOM 0 HG1 THR A 84 4.358 -9.042 -13.438 1.00 73.30 H new ATOM 0 HG21 THR A 84 2.401 -9.921 -12.384 1.00 62.34 H new ATOM 0 HG22 THR A 84 2.385 -9.960 -10.605 1.00 62.34 H new ATOM 0 HG23 THR A 84 2.262 -8.405 -11.463 1.00 62.34 H new ATOM 1444 N SER A 85 6.805 -7.280 -10.072 1.00 75.24 N ATOM 1445 CA SER A 85 8.260 -7.076 -10.061 1.00 44.15 C ATOM 1446 C SER A 85 8.632 -5.891 -9.154 1.00 20.11 C ATOM 1447 O SER A 85 7.859 -4.941 -9.024 1.00 22.12 O ATOM 1448 CB SER A 85 8.784 -6.836 -11.488 1.00 5.12 C ATOM 1449 OG SER A 85 8.585 -7.980 -12.313 1.00 42.44 O ATOM 0 H SER A 85 6.265 -6.422 -9.965 1.00 75.24 H new ATOM 0 HA SER A 85 8.727 -7.978 -9.666 1.00 44.15 H new ATOM 0 HB2 SER A 85 8.274 -5.977 -11.925 1.00 5.12 H new ATOM 0 HB3 SER A 85 9.846 -6.592 -11.451 1.00 5.12 H new ATOM 0 HG SER A 85 8.926 -7.797 -13.213 1.00 42.44 H new ATOM 1455 N PRO A 86 9.823 -5.924 -8.518 1.00 11.12 N ATOM 1456 CA PRO A 86 10.241 -4.876 -7.565 1.00 13.41 C ATOM 1457 C PRO A 86 10.316 -3.480 -8.205 1.00 15.34 C ATOM 1458 O PRO A 86 9.937 -2.484 -7.584 1.00 13.51 O ATOM 1459 CB PRO A 86 11.632 -5.345 -7.097 1.00 23.23 C ATOM 1460 CG PRO A 86 12.097 -6.289 -8.157 1.00 71.32 C ATOM 1461 CD PRO A 86 10.855 -6.966 -8.671 1.00 75.14 C ATOM 0 HA PRO A 86 9.524 -4.762 -6.752 1.00 13.41 H new ATOM 0 HB2 PRO A 86 12.317 -4.504 -6.989 1.00 23.23 H new ATOM 0 HB3 PRO A 86 11.577 -5.837 -6.126 1.00 23.23 H new ATOM 0 HG2 PRO A 86 12.613 -5.757 -8.957 1.00 71.32 H new ATOM 0 HG3 PRO A 86 12.801 -7.016 -7.752 1.00 71.32 H new ATOM 0 HD2 PRO A 86 10.965 -7.276 -9.710 1.00 75.14 H new ATOM 0 HD3 PRO A 86 10.615 -7.860 -8.095 1.00 75.14 H new ATOM 1469 N ASP A 87 10.788 -3.419 -9.450 1.00 32.52 N ATOM 1470 CA ASP A 87 10.879 -2.156 -10.194 1.00 30.10 C ATOM 1471 C ASP A 87 9.520 -1.438 -10.263 1.00 53.12 C ATOM 1472 O ASP A 87 9.453 -0.208 -10.319 1.00 51.42 O ATOM 1473 CB ASP A 87 11.405 -2.430 -11.602 1.00 72.13 C ATOM 1474 CG ASP A 87 12.677 -3.255 -11.572 1.00 15.51 C ATOM 1475 OD1 ASP A 87 12.575 -4.501 -11.513 1.00 22.44 O ATOM 1476 OD2 ASP A 87 13.777 -2.670 -11.585 1.00 1.14 O ATOM 0 H ASP A 87 11.116 -4.233 -9.970 1.00 32.52 H new ATOM 0 HA ASP A 87 11.569 -1.498 -9.666 1.00 30.10 H new ATOM 0 HB2 ASP A 87 10.644 -2.955 -12.180 1.00 72.13 H new ATOM 0 HB3 ASP A 87 11.596 -1.485 -12.110 1.00 72.13 H new ATOM 1481 N GLU A 88 8.441 -2.216 -10.260 1.00 3.15 N ATOM 1482 CA GLU A 88 7.084 -1.664 -10.215 1.00 32.03 C ATOM 1483 C GLU A 88 6.828 -0.933 -8.891 1.00 52.30 C ATOM 1484 O GLU A 88 6.540 0.265 -8.882 1.00 24.52 O ATOM 1485 CB GLU A 88 6.053 -2.783 -10.415 1.00 14.22 C ATOM 1486 CG GLU A 88 5.920 -3.254 -11.858 1.00 71.25 C ATOM 1487 CD GLU A 88 5.226 -2.224 -12.733 1.00 62.42 C ATOM 1488 OE1 GLU A 88 3.977 -2.260 -12.814 1.00 44.41 O ATOM 1489 OE2 GLU A 88 5.921 -1.371 -13.332 1.00 74.23 O ATOM 0 H GLU A 88 8.477 -3.235 -10.288 1.00 3.15 H new ATOM 0 HA GLU A 88 6.984 -0.940 -11.023 1.00 32.03 H new ATOM 0 HB2 GLU A 88 6.329 -3.633 -9.790 1.00 14.22 H new ATOM 0 HB3 GLU A 88 5.081 -2.434 -10.067 1.00 14.22 H new ATOM 0 HG2 GLU A 88 6.910 -3.465 -12.263 1.00 71.25 H new ATOM 0 HG3 GLU A 88 5.359 -4.188 -11.884 1.00 71.25 H new ATOM 1496 N ALA A 89 6.954 -1.656 -7.779 1.00 21.35 N ATOM 1497 CA ALA A 89 6.758 -1.067 -6.447 1.00 23.11 C ATOM 1498 C ALA A 89 7.631 0.185 -6.256 1.00 51.34 C ATOM 1499 O ALA A 89 7.172 1.203 -5.738 1.00 25.32 O ATOM 1500 CB ALA A 89 7.062 -2.098 -5.367 1.00 74.21 C ATOM 0 H ALA A 89 7.190 -2.648 -7.770 1.00 21.35 H new ATOM 0 HA ALA A 89 5.715 -0.762 -6.362 1.00 23.11 H new ATOM 0 HB1 ALA A 89 6.913 -1.650 -4.384 1.00 74.21 H new ATOM 0 HB2 ALA A 89 6.395 -2.952 -5.481 1.00 74.21 H new ATOM 0 HB3 ALA A 89 8.096 -2.430 -5.462 1.00 74.21 H new ATOM 1506 N LYS A 90 8.882 0.098 -6.708 1.00 21.15 N ATOM 1507 CA LYS A 90 9.814 1.232 -6.665 1.00 63.11 C ATOM 1508 C LYS A 90 9.235 2.469 -7.377 1.00 60.43 C ATOM 1509 O LYS A 90 9.188 3.567 -6.805 1.00 62.23 O ATOM 1510 CB LYS A 90 11.154 0.830 -7.308 1.00 54.10 C ATOM 1511 CG LYS A 90 11.893 -0.279 -6.557 1.00 10.22 C ATOM 1512 CD LYS A 90 13.052 -0.850 -7.373 1.00 22.24 C ATOM 1513 CE LYS A 90 14.153 0.177 -7.622 1.00 4.15 C ATOM 1514 NZ LYS A 90 14.924 0.491 -6.389 1.00 0.23 N ATOM 0 H LYS A 90 9.278 -0.751 -7.111 1.00 21.15 H new ATOM 0 HA LYS A 90 9.975 1.497 -5.620 1.00 63.11 H new ATOM 0 HB2 LYS A 90 10.971 0.503 -8.332 1.00 54.10 H new ATOM 0 HB3 LYS A 90 11.797 1.708 -7.364 1.00 54.10 H new ATOM 0 HG2 LYS A 90 12.273 0.113 -5.613 1.00 10.22 H new ATOM 0 HG3 LYS A 90 11.194 -1.079 -6.312 1.00 10.22 H new ATOM 0 HD2 LYS A 90 13.472 -1.709 -6.850 1.00 22.24 H new ATOM 0 HD3 LYS A 90 12.675 -1.213 -8.329 1.00 22.24 H new ATOM 0 HE2 LYS A 90 14.833 -0.201 -8.386 1.00 4.15 H new ATOM 0 HE3 LYS A 90 13.710 1.093 -8.014 1.00 4.15 H new ATOM 0 HZ1 LYS A 90 15.722 1.113 -6.628 1.00 0.23 H new ATOM 0 HZ2 LYS A 90 14.304 0.970 -5.705 1.00 0.23 H new ATOM 0 HZ3 LYS A 90 15.285 -0.390 -5.972 1.00 0.23 H new ATOM 1528 N ARG A 91 8.778 2.289 -8.617 1.00 42.23 N ATOM 1529 CA ARG A 91 8.211 3.397 -9.387 1.00 71.34 C ATOM 1530 C ARG A 91 6.936 3.949 -8.733 1.00 31.55 C ATOM 1531 O ARG A 91 6.829 5.151 -8.497 1.00 2.42 O ATOM 1532 CB ARG A 91 7.889 2.976 -10.826 1.00 62.31 C ATOM 1533 CG ARG A 91 7.219 4.098 -11.618 1.00 73.24 C ATOM 1534 CD ARG A 91 6.639 3.635 -12.946 1.00 12.53 C ATOM 1535 NE ARG A 91 5.809 4.682 -13.542 1.00 44.12 N ATOM 1536 CZ ARG A 91 5.051 4.524 -14.591 1.00 74.13 C ATOM 1537 NH1 ARG A 91 5.009 3.394 -15.217 1.00 44.14 N ATOM 1538 NH2 ARG A 91 4.326 5.511 -15.009 1.00 21.31 N ATOM 0 H ARG A 91 8.789 1.394 -9.106 1.00 42.23 H new ATOM 0 HA ARG A 91 8.970 4.179 -9.403 1.00 71.34 H new ATOM 0 HB2 ARG A 91 8.808 2.676 -11.330 1.00 62.31 H new ATOM 0 HB3 ARG A 91 7.235 2.104 -10.810 1.00 62.31 H new ATOM 0 HG2 ARG A 91 6.423 4.534 -11.014 1.00 73.24 H new ATOM 0 HG3 ARG A 91 7.947 4.887 -11.803 1.00 73.24 H new ATOM 0 HD2 ARG A 91 7.447 3.372 -13.629 1.00 12.53 H new ATOM 0 HD3 ARG A 91 6.044 2.735 -12.794 1.00 12.53 H new ATOM 0 HE ARG A 91 5.824 5.603 -13.105 1.00 44.12 H new ATOM 0 HH11 ARG A 91 5.574 2.610 -14.892 1.00 44.14 H new ATOM 0 HH12 ARG A 91 4.411 3.287 -16.036 1.00 44.14 H new ATOM 0 HH21 ARG A 91 4.350 6.405 -14.519 1.00 21.31 H new ATOM 0 HH22 ARG A 91 3.731 5.395 -15.829 1.00 21.31 H new ATOM 1552 N TRP A 92 5.973 3.070 -8.444 1.00 33.10 N ATOM 1553 CA TRP A 92 4.672 3.492 -7.905 1.00 23.42 C ATOM 1554 C TRP A 92 4.820 4.335 -6.630 1.00 32.13 C ATOM 1555 O TRP A 92 4.072 5.294 -6.425 1.00 34.21 O ATOM 1556 CB TRP A 92 3.766 2.277 -7.645 1.00 43.54 C ATOM 1557 CG TRP A 92 3.254 1.636 -8.906 1.00 32.41 C ATOM 1558 CD1 TRP A 92 3.635 0.437 -9.437 1.00 74.43 C ATOM 1559 CD2 TRP A 92 2.271 2.174 -9.798 1.00 42.34 C ATOM 1560 NE1 TRP A 92 2.946 0.198 -10.601 1.00 12.14 N ATOM 1561 CE2 TRP A 92 2.101 1.248 -10.841 1.00 12.34 C ATOM 1562 CE3 TRP A 92 1.511 3.351 -9.808 1.00 72.50 C ATOM 1563 CZ2 TRP A 92 1.208 1.463 -11.890 1.00 74.40 C ATOM 1564 CZ3 TRP A 92 0.626 3.562 -10.847 1.00 52.11 C ATOM 1565 CH2 TRP A 92 0.479 2.622 -11.875 1.00 64.42 C ATOM 0 H TRP A 92 6.067 2.063 -8.573 1.00 33.10 H new ATOM 0 HA TRP A 92 4.204 4.123 -8.661 1.00 23.42 H new ATOM 0 HB2 TRP A 92 4.320 1.536 -7.068 1.00 43.54 H new ATOM 0 HB3 TRP A 92 2.919 2.588 -7.034 1.00 43.54 H new ATOM 0 HD1 TRP A 92 4.370 -0.226 -9.005 1.00 74.43 H new ATOM 0 HE1 TRP A 92 3.047 -0.628 -11.191 1.00 12.14 H new ATOM 0 HE3 TRP A 92 1.615 4.080 -9.018 1.00 72.50 H new ATOM 0 HZ2 TRP A 92 1.095 0.741 -12.686 1.00 74.40 H new ATOM 0 HZ3 TRP A 92 0.037 4.467 -10.867 1.00 52.11 H new ATOM 0 HH2 TRP A 92 -0.224 2.815 -12.672 1.00 64.42 H new ATOM 1576 N ILE A 93 5.787 3.988 -5.779 1.00 44.42 N ATOM 1577 CA ILE A 93 6.068 4.787 -4.581 1.00 53.42 C ATOM 1578 C ILE A 93 6.549 6.198 -4.959 1.00 65.31 C ATOM 1579 O ILE A 93 6.102 7.191 -4.376 1.00 4.51 O ATOM 1580 CB ILE A 93 7.112 4.100 -3.664 1.00 31.51 C ATOM 1581 CG1 ILE A 93 6.557 2.761 -3.151 1.00 23.23 C ATOM 1582 CG2 ILE A 93 7.500 5.014 -2.495 1.00 72.52 C ATOM 1583 CD1 ILE A 93 7.527 1.996 -2.280 1.00 35.23 C ATOM 0 H ILE A 93 6.384 3.169 -5.893 1.00 44.42 H new ATOM 0 HA ILE A 93 5.133 4.870 -4.027 1.00 53.42 H new ATOM 0 HB ILE A 93 8.013 3.906 -4.246 1.00 31.51 H new ATOM 0 HG12 ILE A 93 5.644 2.949 -2.585 1.00 23.23 H new ATOM 0 HG13 ILE A 93 6.281 2.141 -4.004 1.00 23.23 H new ATOM 0 HG21 ILE A 93 8.234 4.509 -1.866 1.00 72.52 H new ATOM 0 HG22 ILE A 93 7.929 5.938 -2.883 1.00 72.52 H new ATOM 0 HG23 ILE A 93 6.614 5.245 -1.904 1.00 72.52 H new ATOM 0 HD11 ILE A 93 7.067 1.063 -1.955 1.00 35.23 H new ATOM 0 HD12 ILE A 93 8.431 1.776 -2.848 1.00 35.23 H new ATOM 0 HD13 ILE A 93 7.784 2.596 -1.407 1.00 35.23 H new ATOM 1595 N LYS A 94 7.444 6.289 -5.946 1.00 61.44 N ATOM 1596 CA LYS A 94 7.890 7.595 -6.451 1.00 31.42 C ATOM 1597 C LYS A 94 6.712 8.389 -7.042 1.00 33.34 C ATOM 1598 O LYS A 94 6.463 9.525 -6.648 1.00 12.11 O ATOM 1599 CB LYS A 94 8.986 7.433 -7.512 1.00 72.14 C ATOM 1600 CG LYS A 94 9.449 8.765 -8.109 1.00 24.23 C ATOM 1601 CD LYS A 94 10.522 8.585 -9.178 1.00 3.02 C ATOM 1602 CE LYS A 94 10.921 9.921 -9.798 1.00 33.40 C ATOM 1603 NZ LYS A 94 12.007 9.765 -10.799 1.00 41.20 N ATOM 0 H LYS A 94 7.871 5.486 -6.408 1.00 61.44 H new ATOM 0 HA LYS A 94 8.300 8.147 -5.605 1.00 31.42 H new ATOM 0 HB2 LYS A 94 9.841 6.925 -7.067 1.00 72.14 H new ATOM 0 HB3 LYS A 94 8.616 6.792 -8.313 1.00 72.14 H new ATOM 0 HG2 LYS A 94 8.593 9.282 -8.542 1.00 24.23 H new ATOM 0 HG3 LYS A 94 9.837 9.401 -7.313 1.00 24.23 H new ATOM 0 HD2 LYS A 94 11.399 8.110 -8.739 1.00 3.02 H new ATOM 0 HD3 LYS A 94 10.154 7.917 -9.956 1.00 3.02 H new ATOM 0 HE2 LYS A 94 10.051 10.375 -10.274 1.00 33.40 H new ATOM 0 HE3 LYS A 94 11.247 10.603 -9.012 1.00 33.40 H new ATOM 0 HZ1 LYS A 94 12.249 10.695 -11.197 1.00 41.20 H new ATOM 0 HZ2 LYS A 94 12.846 9.356 -10.340 1.00 41.20 H new ATOM 0 HZ3 LYS A 94 11.688 9.135 -11.562 1.00 41.20 H new ATOM 1617 N GLU A 95 5.991 7.773 -7.983 1.00 14.53 N ATOM 1618 CA GLU A 95 4.808 8.392 -8.608 1.00 23.43 C ATOM 1619 C GLU A 95 3.848 8.943 -7.539 1.00 42.01 C ATOM 1620 O GLU A 95 3.366 10.072 -7.632 1.00 10.41 O ATOM 1621 CB GLU A 95 4.069 7.354 -9.474 1.00 12.42 C ATOM 1622 CG GLU A 95 4.931 6.687 -10.548 1.00 42.43 C ATOM 1623 CD GLU A 95 5.120 7.534 -11.800 1.00 4.05 C ATOM 1624 OE1 GLU A 95 6.068 8.341 -11.856 1.00 14.31 O ATOM 1625 OE2 GLU A 95 4.325 7.376 -12.751 1.00 63.55 O ATOM 0 H GLU A 95 6.204 6.839 -8.334 1.00 14.53 H new ATOM 0 HA GLU A 95 5.146 9.218 -9.233 1.00 23.43 H new ATOM 0 HB2 GLU A 95 3.662 6.581 -8.822 1.00 12.42 H new ATOM 0 HB3 GLU A 95 3.222 7.841 -9.958 1.00 12.42 H new ATOM 0 HG2 GLU A 95 5.909 6.458 -10.125 1.00 42.43 H new ATOM 0 HG3 GLU A 95 4.475 5.738 -10.829 1.00 42.43 H new ATOM 1632 N PHE A 96 3.588 8.129 -6.518 1.00 52.31 N ATOM 1633 CA PHE A 96 2.721 8.514 -5.400 1.00 33.21 C ATOM 1634 C PHE A 96 3.282 9.730 -4.637 1.00 13.51 C ATOM 1635 O PHE A 96 2.547 10.668 -4.318 1.00 74.14 O ATOM 1636 CB PHE A 96 2.561 7.317 -4.453 1.00 52.25 C ATOM 1637 CG PHE A 96 1.638 7.557 -3.282 1.00 51.12 C ATOM 1638 CD1 PHE A 96 0.296 7.846 -3.487 1.00 24.34 C ATOM 1639 CD2 PHE A 96 2.110 7.484 -1.978 1.00 73.00 C ATOM 1640 CE1 PHE A 96 -0.553 8.059 -2.419 1.00 11.21 C ATOM 1641 CE2 PHE A 96 1.262 7.695 -0.907 1.00 60.51 C ATOM 1642 CZ PHE A 96 -0.068 7.982 -1.128 1.00 34.31 C ATOM 0 H PHE A 96 3.970 7.186 -6.440 1.00 52.31 H new ATOM 0 HA PHE A 96 1.749 8.804 -5.799 1.00 33.21 H new ATOM 0 HB2 PHE A 96 2.188 6.467 -5.024 1.00 52.25 H new ATOM 0 HB3 PHE A 96 3.544 7.038 -4.072 1.00 52.25 H new ATOM 0 HD1 PHE A 96 -0.089 7.905 -4.494 1.00 24.34 H new ATOM 0 HD2 PHE A 96 3.151 7.260 -1.799 1.00 73.00 H new ATOM 0 HE1 PHE A 96 -1.595 8.285 -2.593 1.00 11.21 H new ATOM 0 HE2 PHE A 96 1.641 7.635 0.102 1.00 60.51 H new ATOM 0 HZ PHE A 96 -0.731 8.147 -0.292 1.00 34.31 H new ATOM 1652 N SER A 97 4.586 9.707 -4.357 1.00 64.41 N ATOM 1653 CA SER A 97 5.261 10.812 -3.654 1.00 71.45 C ATOM 1654 C SER A 97 5.297 12.086 -4.516 1.00 71.44 C ATOM 1655 O SER A 97 5.299 13.204 -3.999 1.00 71.22 O ATOM 1656 CB SER A 97 6.693 10.402 -3.272 1.00 21.31 C ATOM 1657 OG SER A 97 7.335 11.396 -2.485 1.00 62.10 O ATOM 0 H SER A 97 5.203 8.934 -4.606 1.00 64.41 H new ATOM 0 HA SER A 97 4.692 11.028 -2.750 1.00 71.45 H new ATOM 0 HB2 SER A 97 6.667 9.462 -2.720 1.00 21.31 H new ATOM 0 HB3 SER A 97 7.274 10.224 -4.177 1.00 21.31 H new ATOM 0 HG SER A 97 8.306 11.269 -2.526 1.00 62.10 H new ATOM 1663 N GLU A 98 5.329 11.904 -5.834 1.00 40.31 N ATOM 1664 CA GLU A 98 5.308 13.027 -6.781 1.00 45.11 C ATOM 1665 C GLU A 98 3.917 13.670 -6.863 1.00 21.13 C ATOM 1666 O GLU A 98 3.787 14.861 -7.150 1.00 62.53 O ATOM 1667 CB GLU A 98 5.751 12.552 -8.174 1.00 30.32 C ATOM 1668 CG GLU A 98 7.219 12.137 -8.251 1.00 75.11 C ATOM 1669 CD GLU A 98 8.177 13.320 -8.224 1.00 64.01 C ATOM 1670 OE1 GLU A 98 8.370 13.922 -7.147 1.00 61.52 O ATOM 1671 OE2 GLU A 98 8.751 13.651 -9.284 1.00 25.24 O ATOM 0 H GLU A 98 5.370 10.986 -6.277 1.00 40.31 H new ATOM 0 HA GLU A 98 6.005 13.782 -6.417 1.00 45.11 H new ATOM 0 HB2 GLU A 98 5.129 11.708 -8.474 1.00 30.32 H new ATOM 0 HB3 GLU A 98 5.572 13.351 -8.893 1.00 30.32 H new ATOM 0 HG2 GLU A 98 7.447 11.474 -7.417 1.00 75.11 H new ATOM 0 HG3 GLU A 98 7.381 11.567 -9.165 1.00 75.11 H new