USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=24 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 -146:sc= -0.328 (180deg=-2.41!) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.00981 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00251 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -0.0115 (180deg=-0.144) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -115:sc= -0.0577 (180deg=-1.75!) USER MOD Single : A 21 MET CE :methyl -138:sc= -0.272 (180deg=-1.38) USER MOD Single : A 24 LYS NZ :NH3+ -175:sc=-0.00275 (180deg=-0.0507) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 40:sc= 0.362 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 39 LYS NZ :NH3+ -112:sc= 0.127 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 79:sc= 0.706 USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= 0.409 (180deg=-0.89) USER MOD Single : A 49 SER OG : rot -99:sc= 0.701 USER MOD Single : A 50 GLN : amide:sc= -0.0105 X(o=-0.011,f=-0.4) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0447 X(o=-0.045,f=-0.045) USER MOD Single : A 66 LYS NZ :NH3+ -125:sc= 1.24 (180deg=0.647) USER MOD Single : A 68 LYS NZ :NH3+ -134:sc= 1.21 (180deg=0.116) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -108:sc= -0.915 (180deg=-3.26!) USER MOD Single : A 74 MET CE :methyl -172:sc= -0.645 (180deg=-0.839) 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+ -176:sc= 0.96 (180deg=0.943) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -6:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.574 16.907 3.529 1.00 0.00 N ATOM 2 CA MET A 1 -0.508 15.885 3.487 1.00 52.33 C ATOM 3 C MET A 1 0.029 14.517 3.936 1.00 23.22 C ATOM 4 O MET A 1 1.144 14.141 3.582 1.00 41.02 O ATOM 5 CB MET A 1 -1.095 15.803 2.068 1.00 64.44 C ATOM 6 CG MET A 1 -2.248 14.817 1.924 1.00 10.02 C ATOM 7 SD MET A 1 -3.119 14.992 0.355 1.00 21.01 S ATOM 8 CE MET A 1 -4.424 13.786 0.555 1.00 34.24 C ATOM 0 H1 MET A 1 0.416 17.610 2.779 1.00 0.00 H new ATOM 0 H2 MET A 1 0.568 17.381 4.455 1.00 0.00 H new ATOM 0 H3 MET A 1 1.494 16.445 3.382 1.00 0.00 H new ATOM 0 HA MET A 1 -1.301 16.179 4.175 1.00 52.33 H new ATOM 0 HB2 MET A 1 -1.440 16.794 1.772 1.00 64.44 H new ATOM 0 HB3 MET A 1 -0.302 15.521 1.375 1.00 64.44 H new ATOM 0 HG2 MET A 1 -1.865 13.800 2.011 1.00 10.02 H new ATOM 0 HG3 MET A 1 -2.951 14.964 2.744 1.00 10.02 H new ATOM 0 HE1 MET A 1 -4.651 13.333 -0.410 1.00 34.24 H new ATOM 0 HE2 MET A 1 -4.101 13.013 1.252 1.00 34.24 H new ATOM 0 HE3 MET A 1 -5.316 14.276 0.945 1.00 34.24 H new ATOM 20 N LEU A 2 -0.761 13.781 4.719 1.00 32.34 N ATOM 21 CA LEU A 2 -0.323 12.482 5.248 1.00 60.22 C ATOM 22 C LEU A 2 -0.414 11.382 4.177 1.00 12.34 C ATOM 23 O LEU A 2 -1.466 11.167 3.575 1.00 11.52 O ATOM 24 CB LEU A 2 -1.148 12.080 6.482 1.00 53.13 C ATOM 25 CG LEU A 2 -1.126 13.073 7.667 1.00 63.20 C ATOM 26 CD1 LEU A 2 -2.193 14.153 7.512 1.00 30.01 C ATOM 27 CD2 LEU A 2 -1.293 12.336 8.994 1.00 70.54 C ATOM 0 H LEU A 2 -1.702 14.057 5.001 1.00 32.34 H new ATOM 0 HA LEU A 2 0.720 12.590 5.544 1.00 60.22 H new ATOM 0 HB2 LEU A 2 -2.183 11.939 6.172 1.00 53.13 H new ATOM 0 HB3 LEU A 2 -0.787 11.114 6.836 1.00 53.13 H new ATOM 0 HG LEU A 2 -0.154 13.566 7.666 1.00 63.20 H new ATOM 0 HD11 LEU A 2 -2.149 14.833 8.363 1.00 30.01 H new ATOM 0 HD12 LEU A 2 -2.016 14.710 6.592 1.00 30.01 H new ATOM 0 HD13 LEU A 2 -3.178 13.688 7.470 1.00 30.01 H new ATOM 0 HD21 LEU A 2 -1.275 13.054 9.814 1.00 70.54 H new ATOM 0 HD22 LEU A 2 -2.245 11.805 8.998 1.00 70.54 H new ATOM 0 HD23 LEU A 2 -0.479 11.622 9.119 1.00 70.54 H new ATOM 39 N LEU A 3 0.693 10.683 3.947 1.00 13.23 N ATOM 40 CA LEU A 3 0.759 9.644 2.912 1.00 22.44 C ATOM 41 C LEU A 3 1.426 8.363 3.448 1.00 22.45 C ATOM 42 O LEU A 3 2.546 8.404 3.966 1.00 72.00 O ATOM 43 CB LEU A 3 1.523 10.185 1.693 1.00 31.45 C ATOM 44 CG LEU A 3 0.866 11.393 0.995 1.00 21.10 C ATOM 45 CD1 LEU A 3 1.799 12.000 -0.047 1.00 42.11 C ATOM 46 CD2 LEU A 3 -0.459 10.988 0.357 1.00 22.42 C ATOM 0 H LEU A 3 1.563 10.814 4.463 1.00 13.23 H new ATOM 0 HA LEU A 3 -0.256 9.382 2.614 1.00 22.44 H new ATOM 0 HB2 LEU A 3 2.527 10.469 2.009 1.00 31.45 H new ATOM 0 HB3 LEU A 3 1.633 9.380 0.966 1.00 31.45 H new ATOM 0 HG LEU A 3 0.669 12.152 1.752 1.00 21.10 H new ATOM 0 HD11 LEU A 3 1.309 12.850 -0.523 1.00 42.11 H new ATOM 0 HD12 LEU A 3 2.717 12.334 0.437 1.00 42.11 H new ATOM 0 HD13 LEU A 3 2.039 11.250 -0.801 1.00 42.11 H new ATOM 0 HD21 LEU A 3 -0.908 11.853 -0.131 1.00 22.42 H new ATOM 0 HD22 LEU A 3 -0.283 10.206 -0.382 1.00 22.42 H new ATOM 0 HD23 LEU A 3 -1.134 10.615 1.127 1.00 22.42 H new ATOM 58 N TYR A 4 0.728 7.230 3.329 1.00 11.31 N ATOM 59 CA TYR A 4 1.211 5.947 3.870 1.00 3.03 C ATOM 60 C TYR A 4 1.164 4.832 2.814 1.00 51.43 C ATOM 61 O TYR A 4 0.379 4.894 1.865 1.00 33.12 O ATOM 62 CB TYR A 4 0.376 5.551 5.098 1.00 43.21 C ATOM 63 CG TYR A 4 0.491 6.536 6.250 1.00 34.31 C ATOM 64 CD1 TYR A 4 -0.323 7.662 6.319 1.00 12.45 C ATOM 65 CD2 TYR A 4 1.427 6.346 7.259 1.00 53.21 C ATOM 66 CE1 TYR A 4 -0.204 8.566 7.356 1.00 14.52 C ATOM 67 CE2 TYR A 4 1.548 7.244 8.302 1.00 53.13 C ATOM 68 CZ TYR A 4 0.731 8.354 8.345 1.00 11.32 C ATOM 69 OH TYR A 4 0.861 9.261 9.373 1.00 24.32 O ATOM 0 H TYR A 4 -0.177 7.171 2.862 1.00 11.31 H new ATOM 0 HA TYR A 4 2.252 6.077 4.165 1.00 3.03 H new ATOM 0 HB2 TYR A 4 -0.670 5.467 4.805 1.00 43.21 H new ATOM 0 HB3 TYR A 4 0.691 4.565 5.440 1.00 43.21 H new ATOM 0 HD1 TYR A 4 -1.060 7.832 5.549 1.00 12.45 H new ATOM 0 HD2 TYR A 4 2.072 5.480 7.227 1.00 53.21 H new ATOM 0 HE1 TYR A 4 -0.842 9.437 7.392 1.00 14.52 H new ATOM 0 HE2 TYR A 4 2.279 7.077 9.080 1.00 53.13 H new ATOM 0 HH TYR A 4 1.564 8.962 9.986 1.00 24.32 H new ATOM 79 N VAL A 5 2.003 3.807 2.988 1.00 40.30 N ATOM 80 CA VAL A 5 2.107 2.713 2.008 1.00 5.21 C ATOM 81 C VAL A 5 1.918 1.327 2.658 1.00 33.32 C ATOM 82 O VAL A 5 2.558 1.002 3.659 1.00 14.22 O ATOM 83 CB VAL A 5 3.482 2.742 1.283 1.00 12.51 C ATOM 84 CG1 VAL A 5 3.584 1.622 0.247 1.00 63.02 C ATOM 85 CG2 VAL A 5 3.729 4.105 0.633 1.00 44.12 C ATOM 0 H VAL A 5 2.620 3.708 3.794 1.00 40.30 H new ATOM 0 HA VAL A 5 1.305 2.872 1.288 1.00 5.21 H new ATOM 0 HB VAL A 5 4.256 2.577 2.033 1.00 12.51 H new ATOM 0 HG11 VAL A 5 4.556 1.668 -0.244 1.00 63.02 H new ATOM 0 HG12 VAL A 5 3.472 0.657 0.742 1.00 63.02 H new ATOM 0 HG13 VAL A 5 2.796 1.742 -0.497 1.00 63.02 H new ATOM 0 HG21 VAL A 5 4.697 4.099 0.132 1.00 44.12 H new ATOM 0 HG22 VAL A 5 2.945 4.308 -0.096 1.00 44.12 H new ATOM 0 HG23 VAL A 5 3.721 4.880 1.399 1.00 44.12 H new ATOM 95 N LEU A 6 1.036 0.519 2.071 1.00 41.13 N ATOM 96 CA LEU A 6 0.822 -0.872 2.497 1.00 63.50 C ATOM 97 C LEU A 6 1.223 -1.842 1.375 1.00 30.23 C ATOM 98 O LEU A 6 0.692 -1.769 0.266 1.00 3.42 O ATOM 99 CB LEU A 6 -0.652 -1.098 2.863 1.00 53.44 C ATOM 100 CG LEU A 6 -1.196 -0.206 3.989 1.00 64.40 C ATOM 101 CD1 LEU A 6 -2.662 -0.520 4.277 1.00 31.42 C ATOM 102 CD2 LEU A 6 -0.352 -0.359 5.251 1.00 51.23 C ATOM 0 H LEU A 6 0.449 0.805 1.288 1.00 41.13 H new ATOM 0 HA LEU A 6 1.442 -1.060 3.373 1.00 63.50 H new ATOM 0 HB2 LEU A 6 -1.259 -0.939 1.971 1.00 53.44 H new ATOM 0 HB3 LEU A 6 -0.781 -2.140 3.154 1.00 53.44 H new ATOM 0 HG LEU A 6 -1.134 0.831 3.658 1.00 64.40 H new ATOM 0 HD11 LEU A 6 -3.022 0.126 5.078 1.00 31.42 H new ATOM 0 HD12 LEU A 6 -3.254 -0.348 3.378 1.00 31.42 H new ATOM 0 HD13 LEU A 6 -2.758 -1.562 4.580 1.00 31.42 H new ATOM 0 HD21 LEU A 6 -0.753 0.281 6.037 1.00 51.23 H new ATOM 0 HD22 LEU A 6 -0.376 -1.398 5.581 1.00 51.23 H new ATOM 0 HD23 LEU A 6 0.677 -0.070 5.038 1.00 51.23 H new ATOM 114 N ILE A 7 2.149 -2.755 1.659 1.00 33.22 N ATOM 115 CA ILE A 7 2.624 -3.701 0.641 1.00 62.35 C ATOM 116 C ILE A 7 2.223 -5.153 0.957 1.00 72.12 C ATOM 117 O ILE A 7 2.551 -5.692 2.015 1.00 22.51 O ATOM 118 CB ILE A 7 4.162 -3.609 0.456 1.00 31.53 C ATOM 119 CG1 ILE A 7 4.637 -4.610 -0.611 1.00 61.14 C ATOM 120 CG2 ILE A 7 4.889 -3.838 1.783 1.00 3.23 C ATOM 121 CD1 ILE A 7 6.125 -4.567 -0.873 1.00 64.12 C ATOM 0 H ILE A 7 2.584 -2.863 2.575 1.00 33.22 H new ATOM 0 HA ILE A 7 2.137 -3.414 -0.291 1.00 62.35 H new ATOM 0 HB ILE A 7 4.405 -2.603 0.114 1.00 31.53 H new ATOM 0 HG12 ILE A 7 4.362 -5.617 -0.298 1.00 61.14 H new ATOM 0 HG13 ILE A 7 4.108 -4.411 -1.543 1.00 61.14 H new ATOM 0 HG21 ILE A 7 5.965 -3.768 1.625 1.00 3.23 H new ATOM 0 HG22 ILE A 7 4.578 -3.081 2.503 1.00 3.23 H new ATOM 0 HG23 ILE A 7 4.642 -4.828 2.167 1.00 3.23 H new ATOM 0 HD11 ILE A 7 6.381 -5.301 -1.637 1.00 64.12 H new ATOM 0 HD12 ILE A 7 6.405 -3.572 -1.218 1.00 64.12 H new ATOM 0 HD13 ILE A 7 6.663 -4.797 0.047 1.00 64.12 H new ATOM 133 N ILE A 8 1.500 -5.771 0.027 1.00 20.55 N ATOM 134 CA ILE A 8 1.104 -7.178 0.135 1.00 3.30 C ATOM 135 C ILE A 8 1.904 -8.030 -0.865 1.00 70.35 C ATOM 136 O ILE A 8 1.630 -8.008 -2.068 1.00 62.42 O ATOM 137 CB ILE A 8 -0.409 -7.349 -0.170 1.00 21.43 C ATOM 138 CG1 ILE A 8 -1.242 -6.358 0.661 1.00 34.35 C ATOM 139 CG2 ILE A 8 -0.851 -8.790 0.101 1.00 30.34 C ATOM 140 CD1 ILE A 8 -2.716 -6.357 0.318 1.00 51.22 C ATOM 0 H ILE A 8 1.171 -5.314 -0.823 1.00 20.55 H new ATOM 0 HA ILE A 8 1.308 -7.506 1.154 1.00 3.30 H new ATOM 0 HB ILE A 8 -0.576 -7.133 -1.225 1.00 21.43 H new ATOM 0 HG12 ILE A 8 -1.125 -6.597 1.718 1.00 34.35 H new ATOM 0 HG13 ILE A 8 -0.845 -5.353 0.516 1.00 34.35 H new ATOM 0 HG21 ILE A 8 -1.914 -8.892 -0.118 1.00 30.34 H new ATOM 0 HG22 ILE A 8 -0.283 -9.470 -0.534 1.00 30.34 H new ATOM 0 HG23 ILE A 8 -0.671 -9.035 1.148 1.00 30.34 H new ATOM 0 HD11 ILE A 8 -3.235 -5.633 0.946 1.00 51.22 H new ATOM 0 HD12 ILE A 8 -2.845 -6.087 -0.730 1.00 51.22 H new ATOM 0 HD13 ILE A 8 -3.130 -7.350 0.491 1.00 51.22 H new ATOM 152 N SER A 9 2.888 -8.777 -0.371 1.00 71.41 N ATOM 153 CA SER A 9 3.755 -9.578 -1.250 1.00 21.04 C ATOM 154 C SER A 9 4.472 -10.699 -0.492 1.00 52.42 C ATOM 155 O SER A 9 4.735 -10.588 0.707 1.00 70.34 O ATOM 156 CB SER A 9 4.803 -8.687 -1.939 1.00 54.32 C ATOM 157 OG SER A 9 5.673 -9.454 -2.762 1.00 23.44 O ATOM 0 H SER A 9 3.109 -8.849 0.622 1.00 71.41 H new ATOM 0 HA SER A 9 3.105 -10.032 -1.998 1.00 21.04 H new ATOM 0 HB2 SER A 9 4.300 -7.931 -2.543 1.00 54.32 H new ATOM 0 HB3 SER A 9 5.385 -8.157 -1.185 1.00 54.32 H new ATOM 0 HG SER A 9 6.327 -8.861 -3.188 1.00 23.44 H new ATOM 163 N ASN A 10 4.786 -11.777 -1.207 1.00 10.32 N ATOM 164 CA ASN A 10 5.548 -12.902 -0.647 1.00 4.01 C ATOM 165 C ASN A 10 7.014 -12.865 -1.110 1.00 32.52 C ATOM 166 O ASN A 10 7.896 -13.456 -0.479 1.00 21.34 O ATOM 167 CB ASN A 10 4.902 -14.231 -1.056 1.00 63.02 C ATOM 168 CG ASN A 10 3.490 -14.380 -0.515 1.00 32.42 C ATOM 169 OD1 ASN A 10 3.157 -13.862 0.546 1.00 44.12 O ATOM 170 ND2 ASN A 10 2.644 -15.083 -1.239 1.00 35.34 N ATOM 0 H ASN A 10 4.524 -11.900 -2.185 1.00 10.32 H new ATOM 0 HA ASN A 10 5.533 -12.814 0.439 1.00 4.01 H new ATOM 0 HB2 ASN A 10 4.881 -14.302 -2.143 1.00 63.02 H new ATOM 0 HB3 ASN A 10 5.515 -15.056 -0.695 1.00 63.02 H new ATOM 0 HD21 ASN A 10 1.683 -15.209 -0.922 1.00 35.34 H new ATOM 0 HD22 ASN A 10 2.950 -15.502 -2.117 1.00 35.34 H new ATOM 177 N ASP A 11 7.268 -12.179 -2.224 1.00 40.21 N ATOM 178 CA ASP A 11 8.633 -12.016 -2.733 1.00 33.53 C ATOM 179 C ASP A 11 9.397 -10.949 -1.936 1.00 20.11 C ATOM 180 O ASP A 11 9.027 -9.771 -1.936 1.00 23.31 O ATOM 181 CB ASP A 11 8.616 -11.656 -4.223 1.00 24.24 C ATOM 182 CG ASP A 11 10.019 -11.469 -4.777 1.00 13.12 C ATOM 183 OD1 ASP A 11 10.762 -12.468 -4.875 1.00 44.21 O ATOM 184 OD2 ASP A 11 10.394 -10.323 -5.093 1.00 65.44 O ATOM 0 H ASP A 11 6.550 -11.728 -2.791 1.00 40.21 H new ATOM 0 HA ASP A 11 9.150 -12.968 -2.610 1.00 33.53 H new ATOM 0 HB2 ASP A 11 8.107 -12.442 -4.781 1.00 24.24 H new ATOM 0 HB3 ASP A 11 8.043 -10.740 -4.369 1.00 24.24 H new ATOM 189 N LYS A 12 10.469 -11.366 -1.267 1.00 42.43 N ATOM 190 CA LYS A 12 11.247 -10.463 -0.412 1.00 24.42 C ATOM 191 C LYS A 12 11.945 -9.360 -1.217 1.00 53.43 C ATOM 192 O LYS A 12 12.025 -8.227 -0.762 1.00 33.31 O ATOM 193 CB LYS A 12 12.275 -11.252 0.411 1.00 45.41 C ATOM 194 CG LYS A 12 11.648 -12.187 1.441 1.00 32.45 C ATOM 195 CD LYS A 12 10.833 -11.427 2.491 1.00 32.42 C ATOM 196 CE LYS A 12 11.711 -10.549 3.380 1.00 3.41 C ATOM 197 NZ LYS A 12 12.656 -11.354 4.200 1.00 74.02 N ATOM 0 H LYS A 12 10.822 -12.323 -1.298 1.00 42.43 H new ATOM 0 HA LYS A 12 10.544 -9.977 0.264 1.00 24.42 H new ATOM 0 HB2 LYS A 12 12.898 -11.837 -0.266 1.00 45.41 H new ATOM 0 HB3 LYS A 12 12.933 -10.550 0.923 1.00 45.41 H new ATOM 0 HG2 LYS A 12 11.004 -12.905 0.933 1.00 32.45 H new ATOM 0 HG3 LYS A 12 12.433 -12.758 1.936 1.00 32.45 H new ATOM 0 HD2 LYS A 12 10.089 -10.806 1.991 1.00 32.42 H new ATOM 0 HD3 LYS A 12 10.289 -12.139 3.111 1.00 32.42 H new ATOM 0 HE2 LYS A 12 12.273 -9.852 2.759 1.00 3.41 H new ATOM 0 HE3 LYS A 12 11.079 -9.952 4.037 1.00 3.41 H new ATOM 0 HZ1 LYS A 12 13.086 -10.749 4.928 1.00 74.02 H new ATOM 0 HZ2 LYS A 12 12.142 -12.134 4.657 1.00 74.02 H new ATOM 0 HZ3 LYS A 12 13.402 -11.743 3.588 1.00 74.02 H new ATOM 211 N LYS A 13 12.442 -9.685 -2.411 1.00 72.22 N ATOM 212 CA LYS A 13 13.118 -8.690 -3.261 1.00 41.13 C ATOM 213 C LYS A 13 12.209 -7.485 -3.552 1.00 20.20 C ATOM 214 O LYS A 13 12.637 -6.334 -3.458 1.00 32.45 O ATOM 215 CB LYS A 13 13.579 -9.327 -4.580 1.00 73.11 C ATOM 216 CG LYS A 13 14.717 -10.331 -4.420 1.00 50.53 C ATOM 217 CD LYS A 13 15.989 -9.679 -3.874 1.00 62.43 C ATOM 218 CE LYS A 13 16.495 -8.563 -4.783 1.00 4.44 C ATOM 219 NZ LYS A 13 17.786 -7.995 -4.307 1.00 32.45 N ATOM 0 H LYS A 13 12.393 -10.621 -2.814 1.00 72.22 H new ATOM 0 HA LYS A 13 13.990 -8.334 -2.713 1.00 41.13 H new ATOM 0 HB2 LYS A 13 12.730 -9.827 -5.046 1.00 73.11 H new ATOM 0 HB3 LYS A 13 13.898 -8.538 -5.261 1.00 73.11 H new ATOM 0 HG2 LYS A 13 14.403 -11.130 -3.748 1.00 50.53 H new ATOM 0 HG3 LYS A 13 14.932 -10.791 -5.384 1.00 50.53 H new ATOM 0 HD2 LYS A 13 15.792 -9.276 -2.881 1.00 62.43 H new ATOM 0 HD3 LYS A 13 16.765 -10.436 -3.763 1.00 62.43 H new ATOM 0 HE2 LYS A 13 16.620 -8.949 -5.795 1.00 4.44 H new ATOM 0 HE3 LYS A 13 15.748 -7.771 -4.834 1.00 4.44 H new ATOM 0 HZ1 LYS A 13 18.093 -7.240 -4.954 1.00 32.45 H new ATOM 0 HZ2 LYS A 13 17.662 -7.603 -3.352 1.00 32.45 H new ATOM 0 HZ3 LYS A 13 18.507 -8.744 -4.283 1.00 32.45 H new ATOM 233 N LEU A 14 10.956 -7.763 -3.902 1.00 54.53 N ATOM 234 CA LEU A 14 9.968 -6.710 -4.151 1.00 71.14 C ATOM 235 C LEU A 14 9.706 -5.897 -2.868 1.00 55.13 C ATOM 236 O LEU A 14 9.602 -4.670 -2.907 1.00 33.41 O ATOM 237 CB LEU A 14 8.670 -7.345 -4.689 1.00 3.14 C ATOM 238 CG LEU A 14 7.635 -6.377 -5.307 1.00 12.33 C ATOM 239 CD1 LEU A 14 6.703 -7.127 -6.256 1.00 11.31 C ATOM 240 CD2 LEU A 14 6.816 -5.670 -4.227 1.00 72.21 C ATOM 0 H LEU A 14 10.597 -8.710 -4.021 1.00 54.53 H new ATOM 0 HA LEU A 14 10.355 -6.019 -4.900 1.00 71.14 H new ATOM 0 HB2 LEU A 14 8.939 -8.085 -5.443 1.00 3.14 H new ATOM 0 HB3 LEU A 14 8.189 -7.883 -3.872 1.00 3.14 H new ATOM 0 HG LEU A 14 8.185 -5.621 -5.867 1.00 12.33 H new ATOM 0 HD11 LEU A 14 5.981 -6.431 -6.682 1.00 11.31 H new ATOM 0 HD12 LEU A 14 7.287 -7.580 -7.057 1.00 11.31 H new ATOM 0 HD13 LEU A 14 6.175 -7.907 -5.707 1.00 11.31 H new ATOM 0 HD21 LEU A 14 6.098 -4.997 -4.697 1.00 72.21 H new ATOM 0 HD22 LEU A 14 6.283 -6.411 -3.631 1.00 72.21 H new ATOM 0 HD23 LEU A 14 7.482 -5.097 -3.582 1.00 72.21 H new ATOM 252 N ILE A 15 9.615 -6.592 -1.736 1.00 40.41 N ATOM 253 CA ILE A 15 9.413 -5.937 -0.436 1.00 41.43 C ATOM 254 C ILE A 15 10.600 -5.030 -0.064 1.00 60.43 C ATOM 255 O ILE A 15 10.419 -3.886 0.355 1.00 1.14 O ATOM 256 CB ILE A 15 9.197 -6.983 0.691 1.00 74.22 C ATOM 257 CG1 ILE A 15 7.962 -7.853 0.385 1.00 21.34 C ATOM 258 CG2 ILE A 15 9.054 -6.298 2.054 1.00 72.45 C ATOM 259 CD1 ILE A 15 7.718 -8.959 1.395 1.00 44.24 C ATOM 0 H ILE A 15 9.677 -7.609 -1.688 1.00 40.41 H new ATOM 0 HA ILE A 15 8.519 -5.321 -0.532 1.00 41.43 H new ATOM 0 HB ILE A 15 10.074 -7.629 0.731 1.00 74.22 H new ATOM 0 HG12 ILE A 15 7.081 -7.213 0.344 1.00 21.34 H new ATOM 0 HG13 ILE A 15 8.080 -8.298 -0.603 1.00 21.34 H new ATOM 0 HG21 ILE A 15 8.904 -7.052 2.826 1.00 72.45 H new ATOM 0 HG22 ILE A 15 9.958 -5.730 2.272 1.00 72.45 H new ATOM 0 HG23 ILE A 15 8.198 -5.623 2.034 1.00 72.45 H new ATOM 0 HD11 ILE A 15 6.832 -9.525 1.108 1.00 44.24 H new ATOM 0 HD12 ILE A 15 8.581 -9.625 1.421 1.00 44.24 H new ATOM 0 HD13 ILE A 15 7.566 -8.523 2.382 1.00 44.24 H new ATOM 271 N GLU A 16 11.812 -5.550 -0.228 1.00 41.22 N ATOM 272 CA GLU A 16 13.032 -4.813 0.104 1.00 4.23 C ATOM 273 C GLU A 16 13.189 -3.571 -0.780 1.00 24.33 C ATOM 274 O GLU A 16 13.411 -2.470 -0.279 1.00 2.55 O ATOM 275 CB GLU A 16 14.258 -5.728 -0.033 1.00 20.24 C ATOM 276 CG GLU A 16 14.231 -6.939 0.899 1.00 70.24 C ATOM 277 CD GLU A 16 14.234 -6.559 2.373 1.00 21.03 C ATOM 278 OE1 GLU A 16 13.154 -6.259 2.923 1.00 61.44 O ATOM 279 OE2 GLU A 16 15.323 -6.551 2.988 1.00 41.52 O ATOM 0 H GLU A 16 11.979 -6.488 -0.592 1.00 41.22 H new ATOM 0 HA GLU A 16 12.954 -4.478 1.138 1.00 4.23 H new ATOM 0 HB2 GLU A 16 14.327 -6.076 -1.064 1.00 20.24 H new ATOM 0 HB3 GLU A 16 15.158 -5.147 0.168 1.00 20.24 H new ATOM 0 HG2 GLU A 16 13.343 -7.534 0.685 1.00 70.24 H new ATOM 0 HG3 GLU A 16 15.095 -7.569 0.691 1.00 70.24 H new ATOM 286 N GLU A 17 13.064 -3.749 -2.097 1.00 2.51 N ATOM 287 CA GLU A 17 13.109 -2.621 -3.033 1.00 33.22 C ATOM 288 C GLU A 17 12.050 -1.565 -2.679 1.00 21.14 C ATOM 289 O GLU A 17 12.304 -0.361 -2.757 1.00 54.53 O ATOM 290 CB GLU A 17 12.902 -3.102 -4.476 1.00 5.30 C ATOM 291 CG GLU A 17 14.067 -3.909 -5.041 1.00 44.43 C ATOM 292 CD GLU A 17 15.389 -3.150 -5.005 1.00 35.24 C ATOM 293 OE1 GLU A 17 15.557 -2.182 -5.780 1.00 11.03 O ATOM 294 OE2 GLU A 17 16.270 -3.516 -4.199 1.00 32.45 O ATOM 0 H GLU A 17 12.931 -4.659 -2.539 1.00 2.51 H new ATOM 0 HA GLU A 17 14.095 -2.165 -2.951 1.00 33.22 H new ATOM 0 HB2 GLU A 17 11.999 -3.711 -4.518 1.00 5.30 H new ATOM 0 HB3 GLU A 17 12.732 -2.235 -5.115 1.00 5.30 H new ATOM 0 HG2 GLU A 17 14.170 -4.834 -4.474 1.00 44.43 H new ATOM 0 HG3 GLU A 17 13.843 -4.189 -6.070 1.00 44.43 H new ATOM 301 N ALA A 18 10.865 -2.030 -2.285 1.00 4.34 N ATOM 302 CA ALA A 18 9.787 -1.140 -1.847 1.00 43.21 C ATOM 303 C ALA A 18 10.198 -0.317 -0.614 1.00 75.31 C ATOM 304 O ALA A 18 10.074 0.910 -0.606 1.00 44.24 O ATOM 305 CB ALA A 18 8.531 -1.952 -1.549 1.00 65.42 C ATOM 0 H ALA A 18 10.625 -3.021 -2.260 1.00 4.34 H new ATOM 0 HA ALA A 18 9.579 -0.439 -2.656 1.00 43.21 H new ATOM 0 HB1 ALA A 18 7.734 -1.283 -1.224 1.00 65.42 H new ATOM 0 HB2 ALA A 18 8.217 -2.480 -2.449 1.00 65.42 H new ATOM 0 HB3 ALA A 18 8.743 -2.674 -0.760 1.00 65.42 H new ATOM 311 N ARG A 19 10.696 -0.997 0.421 1.00 11.22 N ATOM 312 CA ARG A 19 11.138 -0.322 1.649 1.00 71.22 C ATOM 313 C ARG A 19 12.291 0.651 1.358 1.00 42.24 C ATOM 314 O ARG A 19 12.314 1.775 1.860 1.00 4.24 O ATOM 315 CB ARG A 19 11.568 -1.347 2.711 1.00 31.24 C ATOM 316 CG ARG A 19 10.479 -2.355 3.076 1.00 74.11 C ATOM 317 CD ARG A 19 10.836 -3.163 4.323 1.00 5.33 C ATOM 318 NE ARG A 19 12.087 -3.909 4.183 1.00 42.03 N ATOM 319 CZ ARG A 19 13.098 -3.801 5.003 1.00 75.23 C ATOM 320 NH1 ARG A 19 13.086 -2.925 5.957 1.00 63.43 N ATOM 321 NH2 ARG A 19 14.130 -4.561 4.859 1.00 33.44 N ATOM 0 H ARG A 19 10.804 -2.011 0.436 1.00 11.22 H new ATOM 0 HA ARG A 19 10.294 0.249 2.036 1.00 71.22 H new ATOM 0 HB2 ARG A 19 12.442 -1.887 2.347 1.00 31.24 H new ATOM 0 HB3 ARG A 19 11.874 -0.815 3.612 1.00 31.24 H new ATOM 0 HG2 ARG A 19 9.540 -1.828 3.243 1.00 74.11 H new ATOM 0 HG3 ARG A 19 10.319 -3.034 2.238 1.00 74.11 H new ATOM 0 HD2 ARG A 19 10.915 -2.489 5.176 1.00 5.33 H new ATOM 0 HD3 ARG A 19 10.027 -3.860 4.542 1.00 5.33 H new ATOM 0 HE ARG A 19 12.175 -4.553 3.397 1.00 42.03 H new ATOM 0 HH11 ARG A 19 12.281 -2.310 6.074 1.00 63.43 H new ATOM 0 HH12 ARG A 19 13.882 -2.850 6.591 1.00 63.43 H new ATOM 0 HH21 ARG A 19 14.157 -5.247 4.104 1.00 33.44 H new ATOM 0 HH22 ARG A 19 14.919 -4.476 5.500 1.00 33.44 H new ATOM 335 N LYS A 20 13.236 0.208 0.530 1.00 62.34 N ATOM 336 CA LYS A 20 14.364 1.043 0.103 1.00 22.30 C ATOM 337 C LYS A 20 13.879 2.351 -0.548 1.00 0.31 C ATOM 338 O LYS A 20 14.441 3.418 -0.303 1.00 11.12 O ATOM 339 CB LYS A 20 15.263 0.255 -0.868 1.00 62.54 C ATOM 340 CG LYS A 20 16.047 -0.865 -0.182 1.00 22.11 C ATOM 341 CD LYS A 20 16.674 -1.862 -1.166 1.00 64.04 C ATOM 342 CE LYS A 20 17.604 -1.198 -2.182 1.00 2.40 C ATOM 343 NZ LYS A 20 16.882 -0.779 -3.414 1.00 22.42 N ATOM 0 H LYS A 20 13.244 -0.733 0.137 1.00 62.34 H new ATOM 0 HA LYS A 20 14.944 1.311 0.986 1.00 22.30 H new ATOM 0 HB2 LYS A 20 14.647 -0.172 -1.659 1.00 62.54 H new ATOM 0 HB3 LYS A 20 15.963 0.941 -1.345 1.00 62.54 H new ATOM 0 HG2 LYS A 20 16.835 -0.425 0.429 1.00 22.11 H new ATOM 0 HG3 LYS A 20 15.382 -1.403 0.494 1.00 22.11 H new ATOM 0 HD2 LYS A 20 17.233 -2.612 -0.607 1.00 64.04 H new ATOM 0 HD3 LYS A 20 15.880 -2.387 -1.698 1.00 64.04 H new ATOM 0 HE2 LYS A 20 18.076 -0.328 -1.726 1.00 2.40 H new ATOM 0 HE3 LYS A 20 18.402 -1.891 -2.448 1.00 2.40 H new ATOM 0 HZ1 LYS A 20 17.233 -1.327 -4.225 1.00 22.42 H new ATOM 0 HZ2 LYS A 20 15.863 -0.951 -3.295 1.00 22.42 H new ATOM 0 HZ3 LYS A 20 17.045 0.234 -3.584 1.00 22.42 H new ATOM 357 N MET A 21 12.828 2.263 -1.361 1.00 65.24 N ATOM 358 CA MET A 21 12.216 3.452 -1.973 1.00 0.42 C ATOM 359 C MET A 21 11.492 4.316 -0.930 1.00 25.23 C ATOM 360 O MET A 21 11.639 5.541 -0.916 1.00 40.34 O ATOM 361 CB MET A 21 11.237 3.038 -3.081 1.00 14.24 C ATOM 362 CG MET A 21 11.927 2.619 -4.369 1.00 32.45 C ATOM 363 SD MET A 21 12.777 3.997 -5.169 1.00 11.43 S ATOM 364 CE MET A 21 11.399 5.109 -5.467 1.00 33.45 C ATOM 0 H MET A 21 12.379 1.383 -1.614 1.00 65.24 H new ATOM 0 HA MET A 21 13.019 4.049 -2.406 1.00 0.42 H new ATOM 0 HB2 MET A 21 10.621 2.213 -2.722 1.00 14.24 H new ATOM 0 HB3 MET A 21 10.565 3.870 -3.291 1.00 14.24 H new ATOM 0 HG2 MET A 21 12.645 1.828 -4.153 1.00 32.45 H new ATOM 0 HG3 MET A 21 11.190 2.202 -5.055 1.00 32.45 H new ATOM 0 HE1 MET A 21 11.492 5.546 -6.461 1.00 33.45 H new ATOM 0 HE2 MET A 21 10.463 4.554 -5.401 1.00 33.45 H new ATOM 0 HE3 MET A 21 11.404 5.903 -4.720 1.00 33.45 H new ATOM 374 N ALA A 22 10.719 3.672 -0.055 1.00 13.42 N ATOM 375 CA ALA A 22 9.987 4.377 1.004 1.00 52.34 C ATOM 376 C ALA A 22 10.926 5.243 1.860 1.00 43.55 C ATOM 377 O ALA A 22 10.545 6.319 2.322 1.00 12.34 O ATOM 378 CB ALA A 22 9.238 3.384 1.883 1.00 21.22 C ATOM 0 H ALA A 22 10.582 2.661 -0.057 1.00 13.42 H new ATOM 0 HA ALA A 22 9.267 5.040 0.524 1.00 52.34 H new ATOM 0 HB1 ALA A 22 8.700 3.922 2.663 1.00 21.22 H new ATOM 0 HB2 ALA A 22 8.529 2.823 1.275 1.00 21.22 H new ATOM 0 HB3 ALA A 22 9.948 2.695 2.341 1.00 21.22 H new ATOM 384 N GLU A 23 12.152 4.760 2.053 1.00 51.45 N ATOM 385 CA GLU A 23 13.200 5.520 2.747 1.00 22.15 C ATOM 386 C GLU A 23 13.425 6.898 2.097 1.00 42.41 C ATOM 387 O GLU A 23 13.457 7.921 2.780 1.00 31.04 O ATOM 388 CB GLU A 23 14.511 4.726 2.723 1.00 71.31 C ATOM 389 CG GLU A 23 14.459 3.405 3.483 1.00 14.15 C ATOM 390 CD GLU A 23 14.509 3.587 4.992 1.00 34.11 C ATOM 391 OE1 GLU A 23 15.627 3.674 5.543 1.00 14.41 O ATOM 392 OE2 GLU A 23 13.437 3.639 5.633 1.00 32.51 O ATOM 0 H GLU A 23 12.450 3.837 1.737 1.00 51.45 H new ATOM 0 HA GLU A 23 12.875 5.679 3.775 1.00 22.15 H new ATOM 0 HB2 GLU A 23 14.781 4.525 1.686 1.00 71.31 H new ATOM 0 HB3 GLU A 23 15.304 5.344 3.145 1.00 71.31 H new ATOM 0 HG2 GLU A 23 13.545 2.874 3.216 1.00 14.15 H new ATOM 0 HG3 GLU A 23 15.294 2.779 3.170 1.00 14.15 H new ATOM 399 N LYS A 24 13.584 6.914 0.772 1.00 33.41 N ATOM 400 CA LYS A 24 13.807 8.168 0.033 1.00 34.52 C ATOM 401 C LYS A 24 12.510 8.981 -0.080 1.00 0.42 C ATOM 402 O LYS A 24 12.536 10.209 -0.152 1.00 43.03 O ATOM 403 CB LYS A 24 14.375 7.891 -1.374 1.00 10.14 C ATOM 404 CG LYS A 24 15.805 7.342 -1.388 1.00 62.11 C ATOM 405 CD LYS A 24 15.881 5.899 -0.898 1.00 11.25 C ATOM 406 CE LYS A 24 17.321 5.415 -0.756 1.00 70.14 C ATOM 407 NZ LYS A 24 18.077 5.504 -2.033 1.00 33.51 N ATOM 0 H LYS A 24 13.563 6.079 0.187 1.00 33.41 H new ATOM 0 HA LYS A 24 14.537 8.751 0.595 1.00 34.52 H new ATOM 0 HB2 LYS A 24 13.722 7.181 -1.882 1.00 10.14 H new ATOM 0 HB3 LYS A 24 14.349 8.816 -1.950 1.00 10.14 H new ATOM 0 HG2 LYS A 24 16.203 7.400 -2.401 1.00 62.11 H new ATOM 0 HG3 LYS A 24 16.438 7.969 -0.760 1.00 62.11 H new ATOM 0 HD2 LYS A 24 15.375 5.816 0.064 1.00 11.25 H new ATOM 0 HD3 LYS A 24 15.349 5.252 -1.595 1.00 11.25 H new ATOM 0 HE2 LYS A 24 17.828 6.008 0.005 1.00 70.14 H new ATOM 0 HE3 LYS A 24 17.322 4.382 -0.408 1.00 70.14 H new ATOM 0 HZ1 LYS A 24 19.021 5.086 -1.907 1.00 33.51 H new ATOM 0 HZ2 LYS A 24 17.565 4.986 -2.776 1.00 33.51 H new ATOM 0 HZ3 LYS A 24 18.174 6.502 -2.310 1.00 33.51 H new ATOM 421 N ALA A 25 11.378 8.285 -0.090 1.00 44.23 N ATOM 422 CA ALA A 25 10.069 8.936 -0.171 1.00 2.22 C ATOM 423 C ALA A 25 9.609 9.466 1.199 1.00 25.42 C ATOM 424 O ALA A 25 8.692 10.283 1.277 1.00 30.34 O ATOM 425 CB ALA A 25 9.042 7.965 -0.741 1.00 64.50 C ATOM 0 H ALA A 25 11.338 7.267 -0.043 1.00 44.23 H new ATOM 0 HA ALA A 25 10.161 9.795 -0.836 1.00 2.22 H new ATOM 0 HB1 ALA A 25 8.070 8.456 -0.799 1.00 64.50 H new ATOM 0 HB2 ALA A 25 9.351 7.653 -1.739 1.00 64.50 H new ATOM 0 HB3 ALA A 25 8.969 7.091 -0.094 1.00 64.50 H new ATOM 431 N ASN A 26 10.258 8.992 2.272 1.00 43.32 N ATOM 432 CA ASN A 26 9.917 9.394 3.648 1.00 71.01 C ATOM 433 C ASN A 26 8.471 9.004 4.011 1.00 31.22 C ATOM 434 O ASN A 26 7.812 9.669 4.813 1.00 12.53 O ATOM 435 CB ASN A 26 10.135 10.904 3.835 1.00 15.12 C ATOM 436 CG ASN A 26 11.601 11.287 3.725 1.00 21.42 C ATOM 437 OD1 ASN A 26 12.317 11.338 4.719 1.00 64.03 O ATOM 438 ND2 ASN A 26 12.062 11.544 2.518 1.00 12.41 N ATOM 0 H ASN A 26 11.028 8.325 2.214 1.00 43.32 H new ATOM 0 HA ASN A 26 10.581 8.858 4.326 1.00 71.01 H new ATOM 0 HB2 ASN A 26 9.561 11.448 3.085 1.00 15.12 H new ATOM 0 HB3 ASN A 26 9.754 11.207 4.810 1.00 15.12 H new ATOM 0 HD21 ASN A 26 13.042 11.795 2.389 1.00 12.41 H new ATOM 0 HD22 ASN A 26 11.439 11.492 1.712 1.00 12.41 H new ATOM 445 N LEU A 27 8.003 7.898 3.435 1.00 71.42 N ATOM 446 CA LEU A 27 6.640 7.409 3.672 1.00 44.32 C ATOM 447 C LEU A 27 6.648 6.156 4.562 1.00 21.12 C ATOM 448 O LEU A 27 7.451 5.246 4.359 1.00 62.31 O ATOM 449 CB LEU A 27 5.954 7.089 2.334 1.00 32.02 C ATOM 450 CG LEU A 27 5.863 8.261 1.342 1.00 72.30 C ATOM 451 CD1 LEU A 27 5.168 7.830 0.053 1.00 62.00 C ATOM 452 CD2 LEU A 27 5.146 9.452 1.975 1.00 21.54 C ATOM 0 H LEU A 27 8.549 7.319 2.797 1.00 71.42 H new ATOM 0 HA LEU A 27 6.085 8.194 4.187 1.00 44.32 H new ATOM 0 HB2 LEU A 27 6.493 6.271 1.855 1.00 32.02 H new ATOM 0 HB3 LEU A 27 4.946 6.730 2.539 1.00 32.02 H new ATOM 0 HG LEU A 27 6.877 8.571 1.090 1.00 72.30 H new ATOM 0 HD11 LEU A 27 5.116 8.676 -0.633 1.00 62.00 H new ATOM 0 HD12 LEU A 27 5.732 7.021 -0.411 1.00 62.00 H new ATOM 0 HD13 LEU A 27 4.160 7.485 0.281 1.00 62.00 H new ATOM 0 HD21 LEU A 27 5.093 10.269 1.256 1.00 21.54 H new ATOM 0 HD22 LEU A 27 4.137 9.158 2.264 1.00 21.54 H new ATOM 0 HD23 LEU A 27 5.695 9.780 2.857 1.00 21.54 H new ATOM 464 N GLU A 28 5.749 6.115 5.545 1.00 61.43 N ATOM 465 CA GLU A 28 5.631 4.957 6.442 1.00 51.13 C ATOM 466 C GLU A 28 5.094 3.725 5.695 1.00 35.21 C ATOM 467 O GLU A 28 3.906 3.641 5.372 1.00 52.23 O ATOM 468 CB GLU A 28 4.720 5.283 7.639 1.00 72.02 C ATOM 469 CG GLU A 28 5.326 6.243 8.661 1.00 25.22 C ATOM 470 CD GLU A 28 5.692 7.596 8.073 1.00 40.11 C ATOM 471 OE1 GLU A 28 4.781 8.420 7.852 1.00 31.40 O ATOM 472 OE2 GLU A 28 6.895 7.840 7.835 1.00 31.14 O ATOM 0 H GLU A 28 5.090 6.868 5.743 1.00 61.43 H new ATOM 0 HA GLU A 28 6.630 4.727 6.812 1.00 51.13 H new ATOM 0 HB2 GLU A 28 3.791 5.712 7.264 1.00 72.02 H new ATOM 0 HB3 GLU A 28 4.460 4.353 8.144 1.00 72.02 H new ATOM 0 HG2 GLU A 28 4.618 6.389 9.476 1.00 25.22 H new ATOM 0 HG3 GLU A 28 6.218 5.788 9.091 1.00 25.22 H new ATOM 479 N LEU A 29 5.983 2.780 5.415 1.00 61.44 N ATOM 480 CA LEU A 29 5.618 1.540 4.724 1.00 42.42 C ATOM 481 C LEU A 29 5.355 0.407 5.729 1.00 1.32 C ATOM 482 O LEU A 29 6.157 0.156 6.629 1.00 22.22 O ATOM 483 CB LEU A 29 6.730 1.156 3.726 1.00 22.33 C ATOM 484 CG LEU A 29 6.469 -0.094 2.855 1.00 2.41 C ATOM 485 CD1 LEU A 29 7.238 0.002 1.538 1.00 4.50 C ATOM 486 CD2 LEU A 29 6.856 -1.376 3.594 1.00 72.32 C ATOM 0 H LEU A 29 6.972 2.846 5.657 1.00 61.44 H new ATOM 0 HA LEU A 29 4.693 1.702 4.170 1.00 42.42 H new ATOM 0 HB2 LEU A 29 6.903 2.004 3.064 1.00 22.33 H new ATOM 0 HB3 LEU A 29 7.651 0.996 4.286 1.00 22.33 H new ATOM 0 HG LEU A 29 5.401 -0.132 2.642 1.00 2.41 H new ATOM 0 HD11 LEU A 29 7.043 -0.886 0.937 1.00 4.50 H new ATOM 0 HD12 LEU A 29 6.915 0.888 0.992 1.00 4.50 H new ATOM 0 HD13 LEU A 29 8.306 0.073 1.745 1.00 4.50 H new ATOM 0 HD21 LEU A 29 6.661 -2.237 2.955 1.00 72.32 H new ATOM 0 HD22 LEU A 29 7.916 -1.345 3.847 1.00 72.32 H new ATOM 0 HD23 LEU A 29 6.268 -1.461 4.508 1.00 72.32 H new ATOM 498 N ARG A 30 4.216 -0.264 5.579 1.00 2.31 N ATOM 499 CA ARG A 30 3.856 -1.409 6.422 1.00 74.43 C ATOM 500 C ARG A 30 3.760 -2.689 5.577 1.00 21.22 C ATOM 501 O ARG A 30 3.155 -2.688 4.500 1.00 31.35 O ATOM 502 CB ARG A 30 2.511 -1.150 7.115 1.00 2.10 C ATOM 503 CG ARG A 30 2.464 0.113 7.978 1.00 20.21 C ATOM 504 CD ARG A 30 3.156 -0.067 9.331 1.00 45.31 C ATOM 505 NE ARG A 30 4.612 -0.172 9.224 1.00 74.04 N ATOM 506 CZ ARG A 30 5.399 -0.427 10.239 1.00 45.11 C ATOM 507 NH1 ARG A 30 4.904 -0.657 11.414 1.00 63.22 N ATOM 508 NH2 ARG A 30 6.684 -0.465 10.074 1.00 12.22 N ATOM 0 H ARG A 30 3.516 -0.033 4.873 1.00 2.31 H new ATOM 0 HA ARG A 30 4.632 -1.539 7.176 1.00 74.43 H new ATOM 0 HB2 ARG A 30 1.734 -1.082 6.354 1.00 2.10 H new ATOM 0 HB3 ARG A 30 2.270 -2.009 7.741 1.00 2.10 H new ATOM 0 HG2 ARG A 30 2.938 0.934 7.439 1.00 20.21 H new ATOM 0 HG3 ARG A 30 1.425 0.397 8.142 1.00 20.21 H new ATOM 0 HD2 ARG A 30 2.905 0.776 9.975 1.00 45.31 H new ATOM 0 HD3 ARG A 30 2.768 -0.964 9.814 1.00 45.31 H new ATOM 0 HE ARG A 30 5.038 -0.039 8.307 1.00 74.04 H new ATOM 0 HH11 ARG A 30 3.894 -0.640 11.554 1.00 63.22 H new ATOM 0 HH12 ARG A 30 5.525 -0.855 12.199 1.00 63.22 H new ATOM 0 HH21 ARG A 30 7.085 -0.296 9.151 1.00 12.22 H new ATOM 0 HH22 ARG A 30 7.294 -0.664 10.867 1.00 12.22 H new ATOM 522 N THR A 31 4.352 -3.778 6.060 1.00 65.13 N ATOM 523 CA THR A 31 4.311 -5.061 5.343 1.00 2.32 C ATOM 524 C THR A 31 3.080 -5.886 5.738 1.00 32.35 C ATOM 525 O THR A 31 2.958 -6.341 6.878 1.00 11.32 O ATOM 526 CB THR A 31 5.584 -5.906 5.599 1.00 51.21 C ATOM 527 OG1 THR A 31 5.785 -6.100 7.009 1.00 30.10 O ATOM 528 CG2 THR A 31 6.816 -5.236 4.996 1.00 21.22 C ATOM 0 H THR A 31 4.865 -3.804 6.941 1.00 65.13 H new ATOM 0 HA THR A 31 4.256 -4.815 4.282 1.00 2.32 H new ATOM 0 HB THR A 31 5.441 -6.874 5.119 1.00 51.21 H new ATOM 0 HG1 THR A 31 4.921 -6.260 7.444 1.00 30.10 H new ATOM 0 HG21 THR A 31 7.696 -5.850 5.190 1.00 21.22 H new ATOM 0 HG22 THR A 31 6.680 -5.126 3.920 1.00 21.22 H new ATOM 0 HG23 THR A 31 6.953 -4.253 5.447 1.00 21.22 H new ATOM 536 N VAL A 32 2.178 -6.091 4.781 1.00 3.42 N ATOM 537 CA VAL A 32 0.932 -6.823 5.019 1.00 22.43 C ATOM 538 C VAL A 32 1.080 -8.314 4.677 1.00 55.11 C ATOM 539 O VAL A 32 1.465 -8.672 3.563 1.00 64.41 O ATOM 540 CB VAL A 32 -0.225 -6.225 4.181 1.00 42.23 C ATOM 541 CG1 VAL A 32 -1.533 -6.962 4.453 1.00 60.33 C ATOM 542 CG2 VAL A 32 -0.375 -4.727 4.449 1.00 50.23 C ATOM 0 H VAL A 32 2.287 -5.757 3.823 1.00 3.42 H new ATOM 0 HA VAL A 32 0.703 -6.726 6.080 1.00 22.43 H new ATOM 0 HB VAL A 32 0.020 -6.355 3.127 1.00 42.23 H new ATOM 0 HG11 VAL A 32 -2.330 -6.523 3.852 1.00 60.33 H new ATOM 0 HG12 VAL A 32 -1.419 -8.014 4.191 1.00 60.33 H new ATOM 0 HG13 VAL A 32 -1.786 -6.876 5.510 1.00 60.33 H new ATOM 0 HG21 VAL A 32 -1.194 -4.330 3.849 1.00 50.23 H new ATOM 0 HG22 VAL A 32 -0.588 -4.566 5.506 1.00 50.23 H new ATOM 0 HG23 VAL A 32 0.550 -4.215 4.184 1.00 50.23 H new ATOM 552 N LYS A 33 0.777 -9.180 5.642 1.00 31.41 N ATOM 553 CA LYS A 33 0.899 -10.631 5.447 1.00 11.05 C ATOM 554 C LYS A 33 -0.473 -11.324 5.321 1.00 55.11 C ATOM 555 O LYS A 33 -0.565 -12.439 4.806 1.00 44.03 O ATOM 556 CB LYS A 33 1.719 -11.240 6.596 1.00 3.10 C ATOM 557 CG LYS A 33 3.105 -10.612 6.739 1.00 1.33 C ATOM 558 CD LYS A 33 3.943 -11.277 7.830 1.00 34.14 C ATOM 559 CE LYS A 33 5.309 -10.605 7.971 1.00 42.23 C ATOM 560 NZ LYS A 33 6.174 -11.278 8.979 1.00 62.33 N ATOM 0 H LYS A 33 0.445 -8.907 6.567 1.00 31.41 H new ATOM 0 HA LYS A 33 1.418 -10.799 4.503 1.00 11.05 H new ATOM 0 HB2 LYS A 33 1.172 -11.116 7.531 1.00 3.10 H new ATOM 0 HB3 LYS A 33 1.827 -12.312 6.429 1.00 3.10 H new ATOM 0 HG2 LYS A 33 3.632 -10.683 5.787 1.00 1.33 H new ATOM 0 HG3 LYS A 33 2.997 -9.551 6.965 1.00 1.33 H new ATOM 0 HD2 LYS A 33 3.411 -11.227 8.780 1.00 34.14 H new ATOM 0 HD3 LYS A 33 4.078 -12.333 7.595 1.00 34.14 H new ATOM 0 HE2 LYS A 33 5.813 -10.608 7.005 1.00 42.23 H new ATOM 0 HE3 LYS A 33 5.170 -9.562 8.255 1.00 42.23 H new ATOM 0 HZ1 LYS A 33 7.088 -10.785 9.037 1.00 62.33 H new ATOM 0 HZ2 LYS A 33 5.708 -11.253 9.908 1.00 62.33 H new ATOM 0 HZ3 LYS A 33 6.331 -12.267 8.697 1.00 62.33 H new ATOM 574 N THR A 34 -1.537 -10.667 5.795 1.00 51.22 N ATOM 575 CA THR A 34 -2.905 -11.210 5.685 1.00 21.25 C ATOM 576 C THR A 34 -3.904 -10.109 5.301 1.00 0.52 C ATOM 577 O THR A 34 -3.632 -8.921 5.486 1.00 60.42 O ATOM 578 CB THR A 34 -3.403 -11.839 7.009 1.00 11.50 C ATOM 579 OG1 THR A 34 -3.691 -10.806 7.964 1.00 73.10 O ATOM 580 CG2 THR A 34 -2.379 -12.805 7.597 1.00 62.43 C ATOM 0 H THR A 34 -1.483 -9.760 6.258 1.00 51.22 H new ATOM 0 HA THR A 34 -2.854 -11.979 4.915 1.00 21.25 H new ATOM 0 HB THR A 34 -4.309 -12.402 6.786 1.00 11.50 H new ATOM 0 HG1 THR A 34 -4.007 -11.211 8.799 1.00 73.10 H new ATOM 0 HG21 THR A 34 -2.766 -13.225 8.525 1.00 62.43 H new ATOM 0 HG22 THR A 34 -2.188 -13.609 6.887 1.00 62.43 H new ATOM 0 HG23 THR A 34 -1.450 -12.272 7.800 1.00 62.43 H new ATOM 588 N GLU A 35 -5.072 -10.509 4.789 1.00 22.54 N ATOM 589 CA GLU A 35 -6.145 -9.555 4.467 1.00 42.22 C ATOM 590 C GLU A 35 -6.571 -8.772 5.721 1.00 54.14 C ATOM 591 O GLU A 35 -6.887 -7.582 5.654 1.00 43.45 O ATOM 592 CB GLU A 35 -7.361 -10.292 3.878 1.00 31.32 C ATOM 593 CG GLU A 35 -8.439 -9.368 3.312 1.00 1.40 C ATOM 594 CD GLU A 35 -9.725 -10.103 2.969 1.00 34.51 C ATOM 595 OE1 GLU A 35 -9.711 -10.923 2.034 1.00 34.01 O ATOM 596 OE2 GLU A 35 -10.759 -9.861 3.633 1.00 62.35 O ATOM 0 H GLU A 35 -5.301 -11.482 4.588 1.00 22.54 H new ATOM 0 HA GLU A 35 -5.761 -8.853 3.727 1.00 42.22 H new ATOM 0 HB2 GLU A 35 -7.019 -10.960 3.087 1.00 31.32 H new ATOM 0 HB3 GLU A 35 -7.804 -10.917 4.654 1.00 31.32 H new ATOM 0 HG2 GLU A 35 -8.656 -8.584 4.037 1.00 1.40 H new ATOM 0 HG3 GLU A 35 -8.057 -8.877 2.417 1.00 1.40 H new ATOM 603 N ASP A 36 -6.555 -9.454 6.868 1.00 64.41 N ATOM 604 CA ASP A 36 -6.908 -8.838 8.148 1.00 4.44 C ATOM 605 C ASP A 36 -5.933 -7.707 8.512 1.00 73.42 C ATOM 606 O ASP A 36 -6.349 -6.659 8.999 1.00 22.21 O ATOM 607 CB ASP A 36 -6.934 -9.898 9.256 1.00 62.42 C ATOM 608 CG ASP A 36 -7.384 -9.328 10.589 1.00 32.41 C ATOM 609 OD1 ASP A 36 -8.587 -9.023 10.736 1.00 50.54 O ATOM 610 OD2 ASP A 36 -6.542 -9.168 11.495 1.00 32.13 O ATOM 0 H ASP A 36 -6.300 -10.439 6.936 1.00 64.41 H new ATOM 0 HA ASP A 36 -7.902 -8.402 8.050 1.00 4.44 H new ATOM 0 HB2 ASP A 36 -7.603 -10.708 8.965 1.00 62.42 H new ATOM 0 HB3 ASP A 36 -5.939 -10.330 9.365 1.00 62.42 H new ATOM 615 N GLU A 37 -4.638 -7.926 8.270 1.00 70.24 N ATOM 616 CA GLU A 37 -3.621 -6.889 8.492 1.00 61.42 C ATOM 617 C GLU A 37 -3.881 -5.665 7.605 1.00 0.32 C ATOM 618 O GLU A 37 -3.775 -4.522 8.055 1.00 65.20 O ATOM 619 CB GLU A 37 -2.215 -7.442 8.210 1.00 12.31 C ATOM 620 CG GLU A 37 -1.786 -8.558 9.154 1.00 11.23 C ATOM 621 CD GLU A 37 -1.725 -8.112 10.608 1.00 70.42 C ATOM 622 OE1 GLU A 37 -0.752 -7.420 10.981 1.00 71.25 O ATOM 623 OE2 GLU A 37 -2.636 -8.462 11.385 1.00 32.31 O ATOM 0 H GLU A 37 -4.267 -8.810 7.921 1.00 70.24 H new ATOM 0 HA GLU A 37 -3.682 -6.583 9.536 1.00 61.42 H new ATOM 0 HB2 GLU A 37 -2.181 -7.814 7.186 1.00 12.31 H new ATOM 0 HB3 GLU A 37 -1.495 -6.626 8.277 1.00 12.31 H new ATOM 0 HG2 GLU A 37 -2.483 -9.391 9.064 1.00 11.23 H new ATOM 0 HG3 GLU A 37 -0.806 -8.927 8.851 1.00 11.23 H new ATOM 630 N LEU A 38 -4.221 -5.917 6.341 1.00 24.40 N ATOM 631 CA LEU A 38 -4.570 -4.847 5.400 1.00 54.23 C ATOM 632 C LEU A 38 -5.729 -4.007 5.969 1.00 13.24 C ATOM 633 O LEU A 38 -5.652 -2.780 6.036 1.00 71.50 O ATOM 634 CB LEU A 38 -4.939 -5.465 4.032 1.00 55.15 C ATOM 635 CG LEU A 38 -4.998 -4.508 2.819 1.00 53.21 C ATOM 636 CD1 LEU A 38 -6.254 -3.643 2.836 1.00 44.53 C ATOM 637 CD2 LEU A 38 -3.744 -3.637 2.756 1.00 63.25 C ATOM 0 H LEU A 38 -4.263 -6.855 5.942 1.00 24.40 H new ATOM 0 HA LEU A 38 -3.716 -4.185 5.257 1.00 54.23 H new ATOM 0 HB2 LEU A 38 -4.216 -6.249 3.809 1.00 55.15 H new ATOM 0 HB3 LEU A 38 -5.912 -5.947 4.130 1.00 55.15 H new ATOM 0 HG LEU A 38 -5.040 -5.125 1.921 1.00 53.21 H new ATOM 0 HD11 LEU A 38 -6.255 -2.986 1.966 1.00 44.53 H new ATOM 0 HD12 LEU A 38 -7.136 -4.282 2.809 1.00 44.53 H new ATOM 0 HD13 LEU A 38 -6.269 -3.042 3.745 1.00 44.53 H new ATOM 0 HD21 LEU A 38 -3.806 -2.971 1.895 1.00 63.25 H new ATOM 0 HD22 LEU A 38 -3.666 -3.045 3.668 1.00 63.25 H new ATOM 0 HD23 LEU A 38 -2.864 -4.273 2.660 1.00 63.25 H new ATOM 649 N LYS A 39 -6.791 -4.694 6.395 1.00 52.34 N ATOM 650 CA LYS A 39 -7.933 -4.044 7.051 1.00 62.43 C ATOM 651 C LYS A 39 -7.487 -3.254 8.293 1.00 13.14 C ATOM 652 O LYS A 39 -7.820 -2.079 8.454 1.00 14.14 O ATOM 653 CB LYS A 39 -8.963 -5.101 7.472 1.00 74.22 C ATOM 654 CG LYS A 39 -10.217 -4.515 8.118 1.00 5.33 C ATOM 655 CD LYS A 39 -11.011 -5.566 8.889 1.00 2.25 C ATOM 656 CE LYS A 39 -10.236 -6.083 10.097 1.00 20.23 C ATOM 657 NZ LYS A 39 -11.030 -7.055 10.896 1.00 43.23 N ATOM 0 H LYS A 39 -6.886 -5.705 6.298 1.00 52.34 H new ATOM 0 HA LYS A 39 -8.378 -3.350 6.338 1.00 62.43 H new ATOM 0 HB2 LYS A 39 -9.254 -5.681 6.596 1.00 74.22 H new ATOM 0 HB3 LYS A 39 -8.495 -5.793 8.172 1.00 74.22 H new ATOM 0 HG2 LYS A 39 -9.933 -3.708 8.794 1.00 5.33 H new ATOM 0 HG3 LYS A 39 -10.850 -4.077 7.347 1.00 5.33 H new ATOM 0 HD2 LYS A 39 -11.957 -5.137 9.220 1.00 2.25 H new ATOM 0 HD3 LYS A 39 -11.252 -6.398 8.227 1.00 2.25 H new ATOM 0 HE2 LYS A 39 -9.315 -6.558 9.760 1.00 20.23 H new ATOM 0 HE3 LYS A 39 -9.949 -5.243 10.730 1.00 20.23 H new ATOM 0 HZ1 LYS A 39 -11.263 -6.637 11.819 1.00 43.23 H new ATOM 0 HZ2 LYS A 39 -11.908 -7.286 10.389 1.00 43.23 H new ATOM 0 HZ3 LYS A 39 -10.474 -7.922 11.039 1.00 43.23 H new ATOM 671 N LYS A 40 -6.729 -3.923 9.159 1.00 14.51 N ATOM 672 CA LYS A 40 -6.229 -3.338 10.410 1.00 3.35 C ATOM 673 C LYS A 40 -5.513 -2.001 10.172 1.00 31.54 C ATOM 674 O LYS A 40 -5.813 -0.995 10.822 1.00 52.24 O ATOM 675 CB LYS A 40 -5.273 -4.336 11.088 1.00 13.24 C ATOM 676 CG LYS A 40 -4.524 -3.782 12.298 1.00 73.32 C ATOM 677 CD LYS A 40 -5.473 -3.283 13.386 1.00 2.20 C ATOM 678 CE LYS A 40 -4.710 -2.694 14.562 1.00 42.10 C ATOM 679 NZ LYS A 40 -5.619 -2.081 15.562 1.00 31.52 N ATOM 0 H LYS A 40 -6.441 -4.891 9.016 1.00 14.51 H new ATOM 0 HA LYS A 40 -7.083 -3.137 11.057 1.00 3.35 H new ATOM 0 HB2 LYS A 40 -5.844 -5.210 11.401 1.00 13.24 H new ATOM 0 HB3 LYS A 40 -4.545 -4.678 10.352 1.00 13.24 H new ATOM 0 HG2 LYS A 40 -3.878 -4.558 12.710 1.00 73.32 H new ATOM 0 HG3 LYS A 40 -3.877 -2.964 11.980 1.00 73.32 H new ATOM 0 HD2 LYS A 40 -6.141 -2.529 12.970 1.00 2.20 H new ATOM 0 HD3 LYS A 40 -6.098 -4.107 13.732 1.00 2.20 H new ATOM 0 HE2 LYS A 40 -4.120 -3.476 15.040 1.00 42.10 H new ATOM 0 HE3 LYS A 40 -4.009 -1.942 14.200 1.00 42.10 H new ATOM 0 HZ1 LYS A 40 -5.059 -1.691 16.347 1.00 31.52 H new ATOM 0 HZ2 LYS A 40 -6.164 -1.318 15.113 1.00 31.52 H new ATOM 0 HZ3 LYS A 40 -6.271 -2.804 15.927 1.00 31.52 H new ATOM 693 N TYR A 41 -4.572 -1.995 9.238 1.00 21.15 N ATOM 694 CA TYR A 41 -3.803 -0.790 8.937 1.00 4.43 C ATOM 695 C TYR A 41 -4.700 0.307 8.343 1.00 74.43 C ATOM 696 O TYR A 41 -4.529 1.485 8.649 1.00 71.33 O ATOM 697 CB TYR A 41 -2.640 -1.122 7.998 1.00 35.35 C ATOM 698 CG TYR A 41 -1.707 -2.193 8.547 1.00 64.35 C ATOM 699 CD1 TYR A 41 -1.530 -2.351 9.918 1.00 73.34 C ATOM 700 CD2 TYR A 41 -1.013 -3.050 7.698 1.00 33.44 C ATOM 701 CE1 TYR A 41 -0.693 -3.326 10.424 1.00 65.14 C ATOM 702 CE2 TYR A 41 -0.173 -4.028 8.198 1.00 34.40 C ATOM 703 CZ TYR A 41 -0.018 -4.163 9.562 1.00 1.20 C ATOM 704 OH TYR A 41 0.816 -5.136 10.066 1.00 52.21 O ATOM 0 H TYR A 41 -4.321 -2.808 8.675 1.00 21.15 H new ATOM 0 HA TYR A 41 -3.391 -0.405 9.870 1.00 4.43 H new ATOM 0 HB2 TYR A 41 -3.040 -1.455 7.040 1.00 35.35 H new ATOM 0 HB3 TYR A 41 -2.067 -0.215 7.806 1.00 35.35 H new ATOM 0 HD1 TYR A 41 -2.057 -1.699 10.599 1.00 73.34 H new ATOM 0 HD2 TYR A 41 -1.133 -2.949 6.629 1.00 33.44 H new ATOM 0 HE1 TYR A 41 -0.568 -3.432 11.491 1.00 65.14 H new ATOM 0 HE2 TYR A 41 0.359 -4.683 7.524 1.00 34.40 H new ATOM 0 HH TYR A 41 0.282 -5.899 10.372 1.00 52.21 H new ATOM 714 N LEU A 42 -5.668 -0.083 7.512 1.00 15.52 N ATOM 715 CA LEU A 42 -6.653 0.871 6.986 1.00 41.33 C ATOM 716 C LEU A 42 -7.467 1.515 8.121 1.00 41.10 C ATOM 717 O LEU A 42 -7.686 2.728 8.130 1.00 12.11 O ATOM 718 CB LEU A 42 -7.598 0.189 5.986 1.00 42.23 C ATOM 719 CG LEU A 42 -6.975 -0.193 4.634 1.00 0.34 C ATOM 720 CD1 LEU A 42 -8.026 -0.814 3.715 1.00 72.45 C ATOM 721 CD2 LEU A 42 -6.334 1.026 3.972 1.00 32.21 C ATOM 0 H LEU A 42 -5.793 -1.043 7.190 1.00 15.52 H new ATOM 0 HA LEU A 42 -6.102 1.656 6.469 1.00 41.33 H new ATOM 0 HB2 LEU A 42 -7.997 -0.713 6.449 1.00 42.23 H new ATOM 0 HB3 LEU A 42 -8.442 0.853 5.801 1.00 42.23 H new ATOM 0 HG LEU A 42 -6.195 -0.933 4.813 1.00 0.34 H new ATOM 0 HD11 LEU A 42 -7.566 -1.078 2.763 1.00 72.45 H new ATOM 0 HD12 LEU A 42 -8.434 -1.711 4.182 1.00 72.45 H new ATOM 0 HD13 LEU A 42 -8.829 -0.097 3.544 1.00 72.45 H new ATOM 0 HD21 LEU A 42 -5.899 0.734 3.016 1.00 32.21 H new ATOM 0 HD22 LEU A 42 -7.092 1.791 3.807 1.00 32.21 H new ATOM 0 HD23 LEU A 42 -5.553 1.423 4.620 1.00 32.21 H new ATOM 733 N GLU A 43 -7.910 0.699 9.083 1.00 42.20 N ATOM 734 CA GLU A 43 -8.644 1.211 10.246 1.00 24.53 C ATOM 735 C GLU A 43 -7.757 2.126 11.102 1.00 64.42 C ATOM 736 O GLU A 43 -8.236 3.092 11.700 1.00 25.43 O ATOM 737 CB GLU A 43 -9.207 0.062 11.098 1.00 4.10 C ATOM 738 CG GLU A 43 -10.243 -0.793 10.370 1.00 43.42 C ATOM 739 CD GLU A 43 -10.993 -1.742 11.297 1.00 30.50 C ATOM 740 OE1 GLU A 43 -10.505 -2.864 11.541 1.00 22.42 O ATOM 741 OE2 GLU A 43 -12.082 -1.363 11.788 1.00 62.22 O ATOM 0 H GLU A 43 -7.775 -0.312 9.081 1.00 42.20 H new ATOM 0 HA GLU A 43 -9.481 1.799 9.870 1.00 24.53 H new ATOM 0 HB2 GLU A 43 -8.384 -0.576 11.420 1.00 4.10 H new ATOM 0 HB3 GLU A 43 -9.660 0.477 11.998 1.00 4.10 H new ATOM 0 HG2 GLU A 43 -10.959 -0.140 9.872 1.00 43.42 H new ATOM 0 HG3 GLU A 43 -9.745 -1.372 9.592 1.00 43.42 H new ATOM 748 N GLU A 44 -6.463 1.824 11.144 1.00 23.11 N ATOM 749 CA GLU A 44 -5.491 2.677 11.832 1.00 34.30 C ATOM 750 C GLU A 44 -5.342 4.032 11.119 1.00 12.12 C ATOM 751 O GLU A 44 -5.296 5.084 11.757 1.00 42.13 O ATOM 752 CB GLU A 44 -4.135 1.959 11.919 1.00 24.21 C ATOM 753 CG GLU A 44 -3.051 2.759 12.634 1.00 4.10 C ATOM 754 CD GLU A 44 -1.806 1.933 12.924 1.00 4.13 C ATOM 755 OE1 GLU A 44 -0.958 1.779 12.018 1.00 60.33 O ATOM 756 OE2 GLU A 44 -1.676 1.429 14.064 1.00 34.50 O ATOM 0 H GLU A 44 -6.059 0.994 10.710 1.00 23.11 H new ATOM 0 HA GLU A 44 -5.854 2.871 12.841 1.00 34.30 H new ATOM 0 HB2 GLU A 44 -4.271 1.009 12.436 1.00 24.21 H new ATOM 0 HB3 GLU A 44 -3.794 1.726 10.910 1.00 24.21 H new ATOM 0 HG2 GLU A 44 -2.777 3.619 12.023 1.00 4.10 H new ATOM 0 HG3 GLU A 44 -3.450 3.148 13.571 1.00 4.10 H new ATOM 763 N PHE A 45 -5.293 4.005 9.789 1.00 63.23 N ATOM 764 CA PHE A 45 -5.183 5.234 8.992 1.00 54.54 C ATOM 765 C PHE A 45 -6.483 6.057 9.022 1.00 51.22 C ATOM 766 O PHE A 45 -6.473 7.260 8.756 1.00 3.14 O ATOM 767 CB PHE A 45 -4.792 4.898 7.546 1.00 51.14 C ATOM 768 CG PHE A 45 -3.459 4.200 7.429 1.00 71.22 C ATOM 769 CD1 PHE A 45 -2.404 4.535 8.270 1.00 32.55 C ATOM 770 CD2 PHE A 45 -3.262 3.205 6.483 1.00 33.52 C ATOM 771 CE1 PHE A 45 -1.185 3.893 8.168 1.00 24.44 C ATOM 772 CE2 PHE A 45 -2.044 2.561 6.378 1.00 62.14 C ATOM 773 CZ PHE A 45 -1.005 2.904 7.221 1.00 24.41 C ATOM 0 H PHE A 45 -5.327 3.148 9.237 1.00 63.23 H new ATOM 0 HA PHE A 45 -4.400 5.847 9.439 1.00 54.54 H new ATOM 0 HB2 PHE A 45 -5.564 4.266 7.107 1.00 51.14 H new ATOM 0 HB3 PHE A 45 -4.764 5.818 6.963 1.00 51.14 H new ATOM 0 HD1 PHE A 45 -2.539 5.307 9.013 1.00 32.55 H new ATOM 0 HD2 PHE A 45 -4.070 2.930 5.821 1.00 33.52 H new ATOM 0 HE1 PHE A 45 -0.374 4.164 8.828 1.00 24.44 H new ATOM 0 HE2 PHE A 45 -1.904 1.789 5.636 1.00 62.14 H new ATOM 0 HZ PHE A 45 -0.053 2.400 7.140 1.00 24.41 H new ATOM 783 N ARG A 46 -7.601 5.405 9.352 1.00 20.23 N ATOM 784 CA ARG A 46 -8.883 6.106 9.525 1.00 75.05 C ATOM 785 C ARG A 46 -8.819 7.112 10.688 1.00 14.34 C ATOM 786 O ARG A 46 -9.655 8.013 10.791 1.00 44.53 O ATOM 787 CB ARG A 46 -10.028 5.100 9.737 1.00 65.41 C ATOM 788 CG ARG A 46 -10.413 4.340 8.468 1.00 65.13 C ATOM 789 CD ARG A 46 -11.445 3.244 8.724 1.00 51.54 C ATOM 790 NE ARG A 46 -12.682 3.755 9.308 1.00 21.33 N ATOM 791 CZ ARG A 46 -13.702 3.006 9.627 1.00 14.13 C ATOM 792 NH1 ARG A 46 -13.673 1.724 9.430 1.00 21.31 N ATOM 793 NH2 ARG A 46 -14.754 3.544 10.146 1.00 24.32 N ATOM 0 H ARG A 46 -7.648 4.398 9.505 1.00 20.23 H new ATOM 0 HA ARG A 46 -9.082 6.667 8.612 1.00 75.05 H new ATOM 0 HB2 ARG A 46 -9.735 4.384 10.505 1.00 65.41 H new ATOM 0 HB3 ARG A 46 -10.903 5.631 10.113 1.00 65.41 H new ATOM 0 HG2 ARG A 46 -10.810 5.043 7.736 1.00 65.13 H new ATOM 0 HG3 ARG A 46 -9.519 3.896 8.031 1.00 65.13 H new ATOM 0 HD2 ARG A 46 -11.673 2.740 7.785 1.00 51.54 H new ATOM 0 HD3 ARG A 46 -11.016 2.496 9.391 1.00 51.54 H new ATOM 0 HE ARG A 46 -12.753 4.758 9.477 1.00 21.33 H new ATOM 0 HH11 ARG A 46 -12.846 1.289 9.021 1.00 21.31 H new ATOM 0 HH12 ARG A 46 -14.477 1.151 9.684 1.00 21.31 H new ATOM 0 HH21 ARG A 46 -14.786 4.551 10.305 1.00 24.32 H new ATOM 0 HH22 ARG A 46 -15.553 2.962 10.397 1.00 24.32 H new ATOM 807 N LYS A 47 -7.821 6.952 11.560 1.00 42.34 N ATOM 808 CA LYS A 47 -7.567 7.913 12.640 1.00 34.23 C ATOM 809 C LYS A 47 -7.232 9.304 12.072 1.00 4.30 C ATOM 810 O LYS A 47 -7.879 10.297 12.410 1.00 35.32 O ATOM 811 CB LYS A 47 -6.425 7.402 13.532 1.00 60.34 C ATOM 812 CG LYS A 47 -6.794 6.167 14.351 1.00 61.01 C ATOM 813 CD LYS A 47 -5.573 5.459 14.953 1.00 72.44 C ATOM 814 CE LYS A 47 -4.710 6.377 15.819 1.00 53.55 C ATOM 815 NZ LYS A 47 -3.747 7.178 15.013 1.00 52.33 N ATOM 0 H LYS A 47 -7.173 6.164 11.540 1.00 42.34 H new ATOM 0 HA LYS A 47 -8.471 8.009 13.242 1.00 34.23 H new ATOM 0 HB2 LYS A 47 -5.563 7.169 12.907 1.00 60.34 H new ATOM 0 HB3 LYS A 47 -6.120 8.199 14.210 1.00 60.34 H new ATOM 0 HG2 LYS A 47 -7.470 6.460 15.154 1.00 61.01 H new ATOM 0 HG3 LYS A 47 -7.337 5.466 13.717 1.00 61.01 H new ATOM 0 HD2 LYS A 47 -5.911 4.615 15.554 1.00 72.44 H new ATOM 0 HD3 LYS A 47 -4.963 5.052 14.147 1.00 72.44 H new ATOM 0 HE2 LYS A 47 -5.355 7.050 16.384 1.00 53.55 H new ATOM 0 HE3 LYS A 47 -4.161 5.777 16.545 1.00 53.55 H new ATOM 0 HZ1 LYS A 47 -2.840 7.242 15.518 1.00 52.33 H new ATOM 0 HZ2 LYS A 47 -3.598 6.718 14.092 1.00 52.33 H new ATOM 0 HZ3 LYS A 47 -4.129 8.134 14.865 1.00 52.33 H new ATOM 829 N GLU A 48 -6.229 9.368 11.195 1.00 63.11 N ATOM 830 CA GLU A 48 -5.848 10.626 10.537 1.00 43.30 C ATOM 831 C GLU A 48 -6.552 10.786 9.178 1.00 20.21 C ATOM 832 O GLU A 48 -5.993 11.358 8.242 1.00 24.15 O ATOM 833 CB GLU A 48 -4.326 10.692 10.335 1.00 2.25 C ATOM 834 CG GLU A 48 -3.517 10.825 11.624 1.00 24.01 C ATOM 835 CD GLU A 48 -3.465 9.551 12.452 1.00 50.15 C ATOM 836 OE1 GLU A 48 -2.837 8.572 11.998 1.00 43.35 O ATOM 837 OE2 GLU A 48 -4.018 9.535 13.573 1.00 11.50 O ATOM 0 H GLU A 48 -5.663 8.565 10.921 1.00 63.11 H new ATOM 0 HA GLU A 48 -6.163 11.441 11.189 1.00 43.30 H new ATOM 0 HB2 GLU A 48 -4.003 9.793 9.811 1.00 2.25 H new ATOM 0 HB3 GLU A 48 -4.095 11.538 9.688 1.00 2.25 H new ATOM 0 HG2 GLU A 48 -2.500 11.126 11.374 1.00 24.01 H new ATOM 0 HG3 GLU A 48 -3.946 11.623 12.230 1.00 24.01 H new ATOM 844 N SER A 49 -7.807 10.340 9.093 1.00 41.04 N ATOM 845 CA SER A 49 -8.568 10.351 7.826 1.00 65.45 C ATOM 846 C SER A 49 -8.928 11.772 7.337 1.00 3.52 C ATOM 847 O SER A 49 -9.777 11.933 6.459 1.00 63.34 O ATOM 848 CB SER A 49 -9.854 9.524 7.982 1.00 42.15 C ATOM 849 OG SER A 49 -10.659 10.017 9.044 1.00 12.15 O ATOM 0 H SER A 49 -8.326 9.964 9.886 1.00 41.04 H new ATOM 0 HA SER A 49 -7.916 9.911 7.071 1.00 65.45 H new ATOM 0 HB2 SER A 49 -10.421 9.550 7.051 1.00 42.15 H new ATOM 0 HB3 SER A 49 -9.598 8.481 8.171 1.00 42.15 H new ATOM 0 HG SER A 49 -10.511 9.473 9.846 1.00 12.15 H new ATOM 855 N GLN A 50 -8.268 12.795 7.884 1.00 72.31 N ATOM 856 CA GLN A 50 -8.504 14.183 7.468 1.00 24.34 C ATOM 857 C GLN A 50 -7.830 14.479 6.116 1.00 73.40 C ATOM 858 O GLN A 50 -8.497 14.784 5.129 1.00 70.20 O ATOM 859 CB GLN A 50 -7.976 15.158 8.537 1.00 53.25 C ATOM 860 CG GLN A 50 -8.519 14.901 9.944 1.00 61.03 C ATOM 861 CD GLN A 50 -10.038 14.988 10.030 1.00 32.44 C ATOM 862 OE1 GLN A 50 -10.681 15.713 9.279 1.00 1.45 O ATOM 863 NE2 GLN A 50 -10.622 14.260 10.963 1.00 12.30 N ATOM 0 H GLN A 50 -7.566 12.690 8.616 1.00 72.31 H new ATOM 0 HA GLN A 50 -9.579 14.320 7.355 1.00 24.34 H new ATOM 0 HB2 GLN A 50 -6.888 15.097 8.563 1.00 53.25 H new ATOM 0 HB3 GLN A 50 -8.231 16.176 8.242 1.00 53.25 H new ATOM 0 HG2 GLN A 50 -8.200 13.913 10.274 1.00 61.03 H new ATOM 0 HG3 GLN A 50 -8.081 15.624 10.632 1.00 61.03 H new ATOM 0 HE21 GLN A 50 -10.060 13.666 11.573 1.00 12.30 H new ATOM 0 HE22 GLN A 50 -11.635 14.291 11.074 1.00 12.30 H new ATOM 872 N ASN A 51 -6.497 14.380 6.082 1.00 4.12 N ATOM 873 CA ASN A 51 -5.721 14.629 4.855 1.00 33.34 C ATOM 874 C ASN A 51 -4.766 13.458 4.576 1.00 33.43 C ATOM 875 O ASN A 51 -3.571 13.550 4.859 1.00 12.01 O ATOM 876 CB ASN A 51 -4.891 15.918 4.986 1.00 42.13 C ATOM 877 CG ASN A 51 -5.704 17.104 5.459 1.00 22.55 C ATOM 878 OD1 ASN A 51 -6.317 17.815 4.667 1.00 61.33 O ATOM 879 ND2 ASN A 51 -5.688 17.352 6.756 1.00 72.31 N ATOM 0 H ASN A 51 -5.928 14.129 6.891 1.00 4.12 H new ATOM 0 HA ASN A 51 -6.429 14.733 4.033 1.00 33.34 H new ATOM 0 HB2 ASN A 51 -4.072 15.746 5.684 1.00 42.13 H new ATOM 0 HB3 ASN A 51 -4.443 16.154 4.021 1.00 42.13 H new ATOM 0 HD21 ASN A 51 -6.195 18.155 7.128 1.00 72.31 H new ATOM 0 HD22 ASN A 51 -5.168 16.741 7.386 1.00 72.31 H new ATOM 886 N ILE A 52 -5.277 12.363 4.023 1.00 23.21 N ATOM 887 CA ILE A 52 -4.467 11.149 3.887 1.00 31.01 C ATOM 888 C ILE A 52 -4.789 10.340 2.618 1.00 1.12 C ATOM 889 O ILE A 52 -5.922 10.336 2.131 1.00 74.24 O ATOM 890 CB ILE A 52 -4.644 10.239 5.132 1.00 4.52 C ATOM 891 CG1 ILE A 52 -3.682 9.037 5.084 1.00 62.14 C ATOM 892 CG2 ILE A 52 -6.092 9.766 5.254 1.00 15.15 C ATOM 893 CD1 ILE A 52 -3.793 8.120 6.282 1.00 24.40 C ATOM 0 H ILE A 52 -6.230 12.286 3.667 1.00 23.21 H new ATOM 0 HA ILE A 52 -3.433 11.484 3.804 1.00 31.01 H new ATOM 0 HB ILE A 52 -4.399 10.829 6.015 1.00 4.52 H new ATOM 0 HG12 ILE A 52 -3.878 8.462 4.179 1.00 62.14 H new ATOM 0 HG13 ILE A 52 -2.658 9.405 5.013 1.00 62.14 H new ATOM 0 HG21 ILE A 52 -6.194 9.130 6.133 1.00 15.15 H new ATOM 0 HG22 ILE A 52 -6.750 10.630 5.353 1.00 15.15 H new ATOM 0 HG23 ILE A 52 -6.366 9.201 4.363 1.00 15.15 H new ATOM 0 HD11 ILE A 52 -3.086 7.297 6.177 1.00 24.40 H new ATOM 0 HD12 ILE A 52 -3.568 8.679 7.190 1.00 24.40 H new ATOM 0 HD13 ILE A 52 -4.806 7.722 6.343 1.00 24.40 H new ATOM 905 N LYS A 53 -3.762 9.683 2.074 1.00 43.22 N ATOM 906 CA LYS A 53 -3.934 8.681 1.016 1.00 75.33 C ATOM 907 C LYS A 53 -3.192 7.393 1.392 1.00 52.10 C ATOM 908 O LYS A 53 -2.080 7.441 1.925 1.00 22.53 O ATOM 909 CB LYS A 53 -3.399 9.175 -0.337 1.00 61.33 C ATOM 910 CG LYS A 53 -4.013 10.477 -0.834 1.00 44.22 C ATOM 911 CD LYS A 53 -3.632 10.762 -2.290 1.00 11.35 C ATOM 912 CE LYS A 53 -4.131 9.669 -3.234 1.00 63.24 C ATOM 913 NZ LYS A 53 -3.773 9.935 -4.655 1.00 74.50 N ATOM 0 H LYS A 53 -2.791 9.829 2.352 1.00 43.22 H new ATOM 0 HA LYS A 53 -5.004 8.496 0.919 1.00 75.33 H new ATOM 0 HB2 LYS A 53 -2.320 9.306 -0.258 1.00 61.33 H new ATOM 0 HB3 LYS A 53 -3.572 8.400 -1.084 1.00 61.33 H new ATOM 0 HG2 LYS A 53 -5.098 10.425 -0.745 1.00 44.22 H new ATOM 0 HG3 LYS A 53 -3.680 11.301 -0.203 1.00 44.22 H new ATOM 0 HD2 LYS A 53 -4.050 11.722 -2.593 1.00 11.35 H new ATOM 0 HD3 LYS A 53 -2.548 10.846 -2.372 1.00 11.35 H new ATOM 0 HE2 LYS A 53 -3.710 8.711 -2.930 1.00 63.24 H new ATOM 0 HE3 LYS A 53 -5.214 9.584 -3.145 1.00 63.24 H new ATOM 0 HZ1 LYS A 53 -4.134 9.165 -5.254 1.00 74.50 H new ATOM 0 HZ2 LYS A 53 -4.196 10.836 -4.957 1.00 74.50 H new ATOM 0 HZ3 LYS A 53 -2.739 9.990 -4.748 1.00 74.50 H new ATOM 927 N VAL A 54 -3.802 6.245 1.117 1.00 50.11 N ATOM 928 CA VAL A 54 -3.162 4.952 1.389 1.00 12.03 C ATOM 929 C VAL A 54 -2.778 4.233 0.086 1.00 33.22 C ATOM 930 O VAL A 54 -3.644 3.853 -0.701 1.00 23.12 O ATOM 931 CB VAL A 54 -4.083 4.028 2.226 1.00 41.41 C ATOM 932 CG1 VAL A 54 -3.377 2.714 2.568 1.00 23.15 C ATOM 933 CG2 VAL A 54 -4.558 4.739 3.491 1.00 64.41 C ATOM 0 H VAL A 54 -4.734 6.178 0.708 1.00 50.11 H new ATOM 0 HA VAL A 54 -2.258 5.164 1.960 1.00 12.03 H new ATOM 0 HB VAL A 54 -4.959 3.789 1.623 1.00 41.41 H new ATOM 0 HG11 VAL A 54 -4.045 2.084 3.155 1.00 23.15 H new ATOM 0 HG12 VAL A 54 -3.106 2.196 1.648 1.00 23.15 H new ATOM 0 HG13 VAL A 54 -2.476 2.924 3.145 1.00 23.15 H new ATOM 0 HG21 VAL A 54 -5.203 4.072 4.063 1.00 64.41 H new ATOM 0 HG22 VAL A 54 -3.696 5.018 4.097 1.00 64.41 H new ATOM 0 HG23 VAL A 54 -5.115 5.635 3.217 1.00 64.41 H new ATOM 943 N LEU A 55 -1.480 4.042 -0.132 1.00 31.40 N ATOM 944 CA LEU A 55 -0.981 3.342 -1.323 1.00 52.10 C ATOM 945 C LEU A 55 -0.850 1.837 -1.059 1.00 1.11 C ATOM 946 O LEU A 55 0.027 1.409 -0.313 1.00 1.14 O ATOM 947 CB LEU A 55 0.383 3.907 -1.737 1.00 52.44 C ATOM 948 CG LEU A 55 1.019 3.254 -2.977 1.00 40.12 C ATOM 949 CD1 LEU A 55 0.253 3.621 -4.247 1.00 52.54 C ATOM 950 CD2 LEU A 55 2.494 3.637 -3.094 1.00 60.52 C ATOM 0 H LEU A 55 -0.747 4.362 0.501 1.00 31.40 H new ATOM 0 HA LEU A 55 -1.699 3.496 -2.129 1.00 52.10 H new ATOM 0 HB2 LEU A 55 0.273 4.975 -1.926 1.00 52.44 H new ATOM 0 HB3 LEU A 55 1.071 3.801 -0.898 1.00 52.44 H new ATOM 0 HG LEU A 55 0.959 2.172 -2.856 1.00 40.12 H new ATOM 0 HD11 LEU A 55 0.725 3.146 -5.107 1.00 52.54 H new ATOM 0 HD12 LEU A 55 -0.778 3.277 -4.162 1.00 52.54 H new ATOM 0 HD13 LEU A 55 0.264 4.703 -4.379 1.00 52.54 H new ATOM 0 HD21 LEU A 55 2.924 3.164 -3.977 1.00 60.52 H new ATOM 0 HD22 LEU A 55 2.583 4.720 -3.182 1.00 60.52 H new ATOM 0 HD23 LEU A 55 3.029 3.300 -2.206 1.00 60.52 H new ATOM 962 N ILE A 56 -1.713 1.038 -1.675 1.00 33.22 N ATOM 963 CA ILE A 56 -1.702 -0.414 -1.462 1.00 14.21 C ATOM 964 C ILE A 56 -1.121 -1.162 -2.674 1.00 54.00 C ATOM 965 O ILE A 56 -1.718 -1.176 -3.750 1.00 32.31 O ATOM 966 CB ILE A 56 -3.129 -0.949 -1.169 1.00 24.23 C ATOM 967 CG1 ILE A 56 -3.754 -0.196 0.021 1.00 2.10 C ATOM 968 CG2 ILE A 56 -3.091 -2.453 -0.893 1.00 71.44 C ATOM 969 CD1 ILE A 56 -5.174 -0.622 0.342 1.00 34.13 C ATOM 0 H ILE A 56 -2.429 1.364 -2.325 1.00 33.22 H new ATOM 0 HA ILE A 56 -1.064 -0.598 -0.598 1.00 14.21 H new ATOM 0 HB ILE A 56 -3.749 -0.777 -2.049 1.00 24.23 H new ATOM 0 HG12 ILE A 56 -3.131 -0.349 0.902 1.00 2.10 H new ATOM 0 HG13 ILE A 56 -3.746 0.873 -0.193 1.00 2.10 H new ATOM 0 HG21 ILE A 56 -4.100 -2.811 -0.690 1.00 71.44 H new ATOM 0 HG22 ILE A 56 -2.690 -2.973 -1.763 1.00 71.44 H new ATOM 0 HG23 ILE A 56 -2.456 -2.648 -0.029 1.00 71.44 H new ATOM 0 HD11 ILE A 56 -5.543 -0.047 1.191 1.00 34.13 H new ATOM 0 HD12 ILE A 56 -5.812 -0.443 -0.523 1.00 34.13 H new ATOM 0 HD13 ILE A 56 -5.188 -1.683 0.590 1.00 34.13 H new ATOM 981 N LEU A 57 0.049 -1.775 -2.495 1.00 71.52 N ATOM 982 CA LEU A 57 0.672 -2.592 -3.549 1.00 64.40 C ATOM 983 C LEU A 57 0.318 -4.072 -3.359 1.00 51.22 C ATOM 984 O LEU A 57 0.707 -4.690 -2.372 1.00 34.40 O ATOM 985 CB LEU A 57 2.206 -2.421 -3.551 1.00 30.34 C ATOM 986 CG LEU A 57 2.741 -1.126 -4.195 1.00 64.34 C ATOM 987 CD1 LEU A 57 2.312 -1.026 -5.657 1.00 71.03 C ATOM 988 CD2 LEU A 57 2.291 0.105 -3.416 1.00 31.03 C ATOM 0 H LEU A 57 0.589 -1.724 -1.631 1.00 71.52 H new ATOM 0 HA LEU A 57 0.283 -2.250 -4.508 1.00 64.40 H new ATOM 0 HB2 LEU A 57 2.558 -2.463 -2.520 1.00 30.34 H new ATOM 0 HB3 LEU A 57 2.646 -3.271 -4.072 1.00 30.34 H new ATOM 0 HG LEU A 57 3.830 -1.165 -4.161 1.00 64.34 H new ATOM 0 HD11 LEU A 57 2.702 -0.104 -6.088 1.00 71.03 H new ATOM 0 HD12 LEU A 57 2.704 -1.880 -6.210 1.00 71.03 H new ATOM 0 HD13 LEU A 57 1.224 -1.023 -5.717 1.00 71.03 H new ATOM 0 HD21 LEU A 57 2.684 1.002 -3.894 1.00 31.03 H new ATOM 0 HD22 LEU A 57 1.202 0.149 -3.402 1.00 31.03 H new ATOM 0 HD23 LEU A 57 2.665 0.046 -2.394 1.00 31.03 H new ATOM 1000 N VAL A 58 -0.412 -4.640 -4.308 1.00 70.13 N ATOM 1001 CA VAL A 58 -0.865 -6.031 -4.202 1.00 5.10 C ATOM 1002 C VAL A 58 -0.094 -6.969 -5.147 1.00 74.41 C ATOM 1003 O VAL A 58 0.207 -6.615 -6.288 1.00 75.11 O ATOM 1004 CB VAL A 58 -2.377 -6.142 -4.488 1.00 11.11 C ATOM 1005 CG1 VAL A 58 -3.177 -5.313 -3.483 1.00 33.25 C ATOM 1006 CG2 VAL A 58 -2.688 -5.712 -5.918 1.00 55.41 C ATOM 0 H VAL A 58 -0.706 -4.165 -5.161 1.00 70.13 H new ATOM 0 HA VAL A 58 -0.665 -6.345 -3.177 1.00 5.10 H new ATOM 0 HB VAL A 58 -2.671 -7.186 -4.378 1.00 11.11 H new ATOM 0 HG11 VAL A 58 -4.241 -5.404 -3.701 1.00 33.25 H new ATOM 0 HG12 VAL A 58 -2.981 -5.676 -2.474 1.00 33.25 H new ATOM 0 HG13 VAL A 58 -2.880 -4.267 -3.556 1.00 33.25 H new ATOM 0 HG21 VAL A 58 -3.759 -5.798 -6.099 1.00 55.41 H new ATOM 0 HG22 VAL A 58 -2.377 -4.677 -6.062 1.00 55.41 H new ATOM 0 HG23 VAL A 58 -2.150 -6.353 -6.616 1.00 55.41 H new ATOM 1016 N SER A 59 0.213 -8.170 -4.662 1.00 11.44 N ATOM 1017 CA SER A 59 0.969 -9.163 -5.442 1.00 72.21 C ATOM 1018 C SER A 59 0.082 -9.954 -6.425 1.00 43.44 C ATOM 1019 O SER A 59 0.584 -10.518 -7.401 1.00 44.05 O ATOM 1020 CB SER A 59 1.685 -10.137 -4.493 1.00 24.14 C ATOM 1021 OG SER A 59 2.424 -11.124 -5.202 1.00 15.30 O ATOM 0 H SER A 59 -0.049 -8.486 -3.728 1.00 11.44 H new ATOM 0 HA SER A 59 1.697 -8.612 -6.038 1.00 72.21 H new ATOM 0 HB2 SER A 59 2.357 -9.580 -3.841 1.00 24.14 H new ATOM 0 HB3 SER A 59 0.951 -10.625 -3.852 1.00 24.14 H new ATOM 0 HG SER A 59 2.866 -11.723 -4.564 1.00 15.30 H new ATOM 1027 N ASN A 60 -1.231 -10.011 -6.171 1.00 24.21 N ATOM 1028 CA ASN A 60 -2.157 -10.767 -7.039 1.00 30.53 C ATOM 1029 C ASN A 60 -3.478 -10.013 -7.278 1.00 23.22 C ATOM 1030 O ASN A 60 -3.814 -9.074 -6.553 1.00 43.52 O ATOM 1031 CB ASN A 60 -2.467 -12.146 -6.437 1.00 52.41 C ATOM 1032 CG ASN A 60 -1.224 -12.995 -6.236 1.00 64.12 C ATOM 1033 OD1 ASN A 60 -0.769 -13.678 -7.147 1.00 15.43 O ATOM 1034 ND2 ASN A 60 -0.680 -12.976 -5.036 1.00 54.32 N ATOM 0 H ASN A 60 -1.678 -9.549 -5.380 1.00 24.21 H new ATOM 0 HA ASN A 60 -1.653 -10.888 -7.998 1.00 30.53 H new ATOM 0 HB2 ASN A 60 -2.970 -12.014 -5.479 1.00 52.41 H new ATOM 0 HB3 ASN A 60 -3.161 -12.675 -7.091 1.00 52.41 H new ATOM 0 HD21 ASN A 60 0.146 -13.542 -4.842 1.00 54.32 H new ATOM 0 HD22 ASN A 60 -1.085 -12.396 -4.301 1.00 54.32 H new ATOM 1041 N ASP A 61 -4.229 -10.450 -8.293 1.00 61.13 N ATOM 1042 CA ASP A 61 -5.521 -9.840 -8.640 1.00 64.31 C ATOM 1043 C ASP A 61 -6.549 -9.982 -7.500 1.00 4.22 C ATOM 1044 O ASP A 61 -7.347 -9.074 -7.256 1.00 33.15 O ATOM 1045 CB ASP A 61 -6.066 -10.479 -9.923 1.00 11.52 C ATOM 1046 CG ASP A 61 -6.300 -11.971 -9.764 1.00 64.01 C ATOM 1047 OD1 ASP A 61 -5.313 -12.734 -9.770 1.00 52.52 O ATOM 1048 OD2 ASP A 61 -7.468 -12.387 -9.611 1.00 21.50 O ATOM 0 H ASP A 61 -3.964 -11.230 -8.894 1.00 61.13 H new ATOM 0 HA ASP A 61 -5.355 -8.775 -8.800 1.00 64.31 H new ATOM 0 HB2 ASP A 61 -7.002 -9.993 -10.200 1.00 11.52 H new ATOM 0 HB3 ASP A 61 -5.364 -10.308 -10.739 1.00 11.52 H new ATOM 1053 N GLU A 62 -6.537 -11.131 -6.821 1.00 13.41 N ATOM 1054 CA GLU A 62 -7.415 -11.351 -5.667 1.00 70.22 C ATOM 1055 C GLU A 62 -7.114 -10.328 -4.563 1.00 71.42 C ATOM 1056 O GLU A 62 -8.018 -9.672 -4.042 1.00 53.42 O ATOM 1057 CB GLU A 62 -7.237 -12.778 -5.124 1.00 10.53 C ATOM 1058 CG GLU A 62 -8.197 -13.128 -3.990 1.00 3.15 C ATOM 1059 CD GLU A 62 -8.006 -14.545 -3.466 1.00 63.02 C ATOM 1060 OE1 GLU A 62 -8.279 -15.502 -4.216 1.00 31.15 O ATOM 1061 OE2 GLU A 62 -7.582 -14.706 -2.301 1.00 42.04 O ATOM 0 H GLU A 62 -5.933 -11.921 -7.048 1.00 13.41 H new ATOM 0 HA GLU A 62 -8.448 -11.224 -5.991 1.00 70.22 H new ATOM 0 HB2 GLU A 62 -7.378 -13.488 -5.939 1.00 10.53 H new ATOM 0 HB3 GLU A 62 -6.213 -12.898 -4.771 1.00 10.53 H new ATOM 0 HG2 GLU A 62 -8.057 -12.422 -3.172 1.00 3.15 H new ATOM 0 HG3 GLU A 62 -9.223 -13.011 -4.340 1.00 3.15 H new ATOM 1068 N GLU A 63 -5.831 -10.190 -4.237 1.00 71.13 N ATOM 1069 CA GLU A 63 -5.370 -9.214 -3.239 1.00 61.22 C ATOM 1070 C GLU A 63 -5.834 -7.797 -3.616 1.00 3.00 C ATOM 1071 O GLU A 63 -6.270 -7.020 -2.765 1.00 72.00 O ATOM 1072 CB GLU A 63 -3.834 -9.252 -3.142 1.00 54.44 C ATOM 1073 CG GLU A 63 -3.238 -10.659 -3.089 1.00 1.51 C ATOM 1074 CD GLU A 63 -3.592 -11.432 -1.825 1.00 32.45 C ATOM 1075 OE1 GLU A 63 -4.763 -11.830 -1.666 1.00 33.30 O ATOM 1076 OE2 GLU A 63 -2.686 -11.666 -0.999 1.00 23.13 O ATOM 0 H GLU A 63 -5.082 -10.745 -4.651 1.00 71.13 H new ATOM 0 HA GLU A 63 -5.800 -9.475 -2.272 1.00 61.22 H new ATOM 0 HB2 GLU A 63 -3.415 -8.725 -3.999 1.00 54.44 H new ATOM 0 HB3 GLU A 63 -3.525 -8.706 -2.251 1.00 54.44 H new ATOM 0 HG2 GLU A 63 -3.583 -11.222 -3.956 1.00 1.51 H new ATOM 0 HG3 GLU A 63 -2.153 -10.587 -3.167 1.00 1.51 H new ATOM 1083 N LEU A 64 -5.732 -7.482 -4.910 1.00 5.55 N ATOM 1084 CA LEU A 64 -6.192 -6.199 -5.459 1.00 70.31 C ATOM 1085 C LEU A 64 -7.654 -5.924 -5.092 1.00 63.22 C ATOM 1086 O LEU A 64 -7.981 -4.882 -4.518 1.00 53.20 O ATOM 1087 CB LEU A 64 -6.044 -6.217 -6.990 1.00 51.03 C ATOM 1088 CG LEU A 64 -6.457 -4.929 -7.726 1.00 31.32 C ATOM 1089 CD1 LEU A 64 -5.549 -3.766 -7.339 1.00 21.12 C ATOM 1090 CD2 LEU A 64 -6.442 -5.151 -9.238 1.00 62.03 C ATOM 0 H LEU A 64 -5.329 -8.107 -5.608 1.00 5.55 H new ATOM 0 HA LEU A 64 -5.580 -5.406 -5.029 1.00 70.31 H new ATOM 0 HB2 LEU A 64 -5.003 -6.431 -7.231 1.00 51.03 H new ATOM 0 HB3 LEU A 64 -6.639 -7.042 -7.382 1.00 51.03 H new ATOM 0 HG LEU A 64 -7.473 -4.674 -7.426 1.00 31.32 H new ATOM 0 HD11 LEU A 64 -5.861 -2.868 -7.872 1.00 21.12 H new ATOM 0 HD12 LEU A 64 -5.617 -3.593 -6.265 1.00 21.12 H new ATOM 0 HD13 LEU A 64 -4.519 -4.005 -7.603 1.00 21.12 H new ATOM 0 HD21 LEU A 64 -6.736 -4.231 -9.744 1.00 62.03 H new ATOM 0 HD22 LEU A 64 -5.438 -5.434 -9.554 1.00 62.03 H new ATOM 0 HD23 LEU A 64 -7.141 -5.946 -9.496 1.00 62.03 H new ATOM 1102 N ASP A 65 -8.524 -6.874 -5.420 1.00 63.34 N ATOM 1103 CA ASP A 65 -9.961 -6.702 -5.228 1.00 31.10 C ATOM 1104 C ASP A 65 -10.341 -6.668 -3.734 1.00 54.12 C ATOM 1105 O ASP A 65 -11.108 -5.808 -3.306 1.00 60.42 O ATOM 1106 CB ASP A 65 -10.720 -7.808 -5.963 1.00 13.10 C ATOM 1107 CG ASP A 65 -12.209 -7.521 -6.077 1.00 72.11 C ATOM 1108 OD1 ASP A 65 -12.579 -6.368 -6.384 1.00 21.40 O ATOM 1109 OD2 ASP A 65 -13.015 -8.454 -5.881 1.00 51.41 O ATOM 0 H ASP A 65 -8.259 -7.773 -5.821 1.00 63.34 H new ATOM 0 HA ASP A 65 -10.246 -5.737 -5.648 1.00 31.10 H new ATOM 0 HB2 ASP A 65 -10.300 -7.930 -6.961 1.00 13.10 H new ATOM 0 HB3 ASP A 65 -10.575 -8.753 -5.439 1.00 13.10 H new ATOM 1114 N LYS A 66 -9.787 -7.581 -2.940 1.00 51.54 N ATOM 1115 CA LYS A 66 -10.092 -7.625 -1.503 1.00 60.24 C ATOM 1116 C LYS A 66 -9.652 -6.333 -0.795 1.00 0.45 C ATOM 1117 O LYS A 66 -10.314 -5.864 0.137 1.00 74.34 O ATOM 1118 CB LYS A 66 -9.427 -8.842 -0.839 1.00 43.00 C ATOM 1119 CG LYS A 66 -9.771 -10.177 -1.501 1.00 54.02 C ATOM 1120 CD LYS A 66 -11.274 -10.357 -1.697 1.00 20.04 C ATOM 1121 CE LYS A 66 -12.033 -10.443 -0.378 1.00 53.44 C ATOM 1122 NZ LYS A 66 -11.670 -11.656 0.399 1.00 63.14 N ATOM 0 H LYS A 66 -9.131 -8.295 -3.258 1.00 51.54 H new ATOM 0 HA LYS A 66 -11.174 -7.717 -1.403 1.00 60.24 H new ATOM 0 HB2 LYS A 66 -8.346 -8.707 -0.857 1.00 43.00 H new ATOM 0 HB3 LYS A 66 -9.726 -8.880 0.209 1.00 43.00 H new ATOM 0 HG2 LYS A 66 -9.271 -10.240 -2.467 1.00 54.02 H new ATOM 0 HG3 LYS A 66 -9.386 -10.993 -0.889 1.00 54.02 H new ATOM 0 HD2 LYS A 66 -11.663 -9.523 -2.281 1.00 20.04 H new ATOM 0 HD3 LYS A 66 -11.455 -11.263 -2.275 1.00 20.04 H new ATOM 0 HE2 LYS A 66 -11.824 -9.555 0.219 1.00 53.44 H new ATOM 0 HE3 LYS A 66 -13.105 -10.448 -0.577 1.00 53.44 H new ATOM 0 HZ1 LYS A 66 -12.530 -12.196 0.622 1.00 63.14 H new ATOM 0 HZ2 LYS A 66 -11.025 -12.248 -0.163 1.00 63.14 H new ATOM 0 HZ3 LYS A 66 -11.200 -11.374 1.283 1.00 63.14 H new ATOM 1136 N ALA A 67 -8.536 -5.760 -1.245 1.00 32.10 N ATOM 1137 CA ALA A 67 -8.041 -4.492 -0.699 1.00 53.13 C ATOM 1138 C ALA A 67 -9.009 -3.335 -0.997 1.00 72.21 C ATOM 1139 O ALA A 67 -9.412 -2.599 -0.093 1.00 3.52 O ATOM 1140 CB ALA A 67 -6.655 -4.184 -1.255 1.00 33.13 C ATOM 0 H ALA A 67 -7.956 -6.152 -1.987 1.00 32.10 H new ATOM 0 HA ALA A 67 -7.973 -4.597 0.384 1.00 53.13 H new ATOM 0 HB1 ALA A 67 -6.299 -3.240 -0.842 1.00 33.13 H new ATOM 0 HB2 ALA A 67 -5.967 -4.983 -0.980 1.00 33.13 H new ATOM 0 HB3 ALA A 67 -6.707 -4.108 -2.341 1.00 33.13 H new ATOM 1146 N LYS A 68 -9.385 -3.181 -2.271 1.00 2.34 N ATOM 1147 CA LYS A 68 -10.326 -2.125 -2.674 1.00 5.02 C ATOM 1148 C LYS A 68 -11.716 -2.332 -2.048 1.00 43.51 C ATOM 1149 O LYS A 68 -12.430 -1.363 -1.799 1.00 33.41 O ATOM 1150 CB LYS A 68 -10.430 -2.029 -4.209 1.00 61.22 C ATOM 1151 CG LYS A 68 -10.693 -3.360 -4.896 1.00 33.45 C ATOM 1152 CD LYS A 68 -10.784 -3.231 -6.418 1.00 23.20 C ATOM 1153 CE LYS A 68 -12.147 -2.728 -6.872 1.00 14.44 C ATOM 1154 NZ LYS A 68 -13.228 -3.705 -6.564 1.00 44.32 N ATOM 0 H LYS A 68 -9.056 -3.768 -3.037 1.00 2.34 H new ATOM 0 HA LYS A 68 -9.931 -1.181 -2.298 1.00 5.02 H new ATOM 0 HB2 LYS A 68 -11.230 -1.335 -4.466 1.00 61.22 H new ATOM 0 HB3 LYS A 68 -9.504 -1.607 -4.600 1.00 61.22 H new ATOM 0 HG2 LYS A 68 -9.896 -4.059 -4.642 1.00 33.45 H new ATOM 0 HG3 LYS A 68 -11.622 -3.783 -4.515 1.00 33.45 H new ATOM 0 HD2 LYS A 68 -10.011 -2.548 -6.770 1.00 23.20 H new ATOM 0 HD3 LYS A 68 -10.585 -4.200 -6.876 1.00 23.20 H new ATOM 0 HE2 LYS A 68 -12.365 -1.778 -6.383 1.00 14.44 H new ATOM 0 HE3 LYS A 68 -12.125 -2.537 -7.945 1.00 14.44 H new ATOM 0 HZ1 LYS A 68 -13.842 -3.817 -7.396 1.00 44.32 H new ATOM 0 HZ2 LYS A 68 -12.806 -4.624 -6.319 1.00 44.32 H new ATOM 0 HZ3 LYS A 68 -13.791 -3.358 -5.762 1.00 44.32 H new ATOM 1168 N GLU A 69 -12.100 -3.585 -1.793 1.00 74.15 N ATOM 1169 CA GLU A 69 -13.361 -3.867 -1.094 1.00 30.21 C ATOM 1170 C GLU A 69 -13.328 -3.315 0.340 1.00 65.01 C ATOM 1171 O GLU A 69 -14.217 -2.568 0.747 1.00 12.41 O ATOM 1172 CB GLU A 69 -13.666 -5.373 -1.067 1.00 51.30 C ATOM 1173 CG GLU A 69 -14.013 -5.961 -2.432 1.00 4.33 C ATOM 1174 CD GLU A 69 -14.562 -7.377 -2.339 1.00 13.11 C ATOM 1175 OE1 GLU A 69 -13.769 -8.335 -2.271 1.00 12.52 O ATOM 1176 OE2 GLU A 69 -15.801 -7.536 -2.332 1.00 42.44 O ATOM 0 H GLU A 69 -11.565 -4.413 -2.055 1.00 74.15 H new ATOM 0 HA GLU A 69 -14.156 -3.367 -1.648 1.00 30.21 H new ATOM 0 HB2 GLU A 69 -12.802 -5.901 -0.665 1.00 51.30 H new ATOM 0 HB3 GLU A 69 -14.496 -5.553 -0.384 1.00 51.30 H new ATOM 0 HG2 GLU A 69 -14.748 -5.322 -2.922 1.00 4.33 H new ATOM 0 HG3 GLU A 69 -13.122 -5.962 -3.060 1.00 4.33 H new ATOM 1183 N LEU A 70 -12.297 -3.686 1.102 1.00 63.04 N ATOM 1184 CA LEU A 70 -12.122 -3.174 2.471 1.00 41.12 C ATOM 1185 C LEU A 70 -12.123 -1.635 2.494 1.00 23.31 C ATOM 1186 O LEU A 70 -12.815 -1.011 3.302 1.00 1.15 O ATOM 1187 CB LEU A 70 -10.814 -3.706 3.080 1.00 51.23 C ATOM 1188 CG LEU A 70 -10.761 -5.228 3.294 1.00 51.43 C ATOM 1189 CD1 LEU A 70 -9.367 -5.667 3.736 1.00 23.52 C ATOM 1190 CD2 LEU A 70 -11.812 -5.666 4.316 1.00 22.02 C ATOM 0 H LEU A 70 -11.571 -4.336 0.800 1.00 63.04 H new ATOM 0 HA LEU A 70 -12.963 -3.526 3.068 1.00 41.12 H new ATOM 0 HB2 LEU A 70 -9.987 -3.418 2.431 1.00 51.23 H new ATOM 0 HB3 LEU A 70 -10.653 -3.215 4.040 1.00 51.23 H new ATOM 0 HG LEU A 70 -10.984 -5.711 2.343 1.00 51.43 H new ATOM 0 HD11 LEU A 70 -9.355 -6.747 3.881 1.00 23.52 H new ATOM 0 HD12 LEU A 70 -8.640 -5.395 2.971 1.00 23.52 H new ATOM 0 HD13 LEU A 70 -9.110 -5.172 4.673 1.00 23.52 H new ATOM 0 HD21 LEU A 70 -11.758 -6.746 4.453 1.00 22.02 H new ATOM 0 HD22 LEU A 70 -11.623 -5.169 5.268 1.00 22.02 H new ATOM 0 HD23 LEU A 70 -12.805 -5.395 3.956 1.00 22.02 H new ATOM 1202 N ALA A 71 -11.351 -1.033 1.591 1.00 63.43 N ATOM 1203 CA ALA A 71 -11.260 0.426 1.488 1.00 54.12 C ATOM 1204 C ALA A 71 -12.621 1.077 1.182 1.00 73.41 C ATOM 1205 O ALA A 71 -13.067 1.967 1.905 1.00 63.43 O ATOM 1206 CB ALA A 71 -10.242 0.801 0.419 1.00 52.51 C ATOM 0 H ALA A 71 -10.775 -1.535 0.915 1.00 63.43 H new ATOM 0 HA ALA A 71 -10.936 0.807 2.457 1.00 54.12 H new ATOM 0 HB1 ALA A 71 -10.176 1.886 0.344 1.00 52.51 H new ATOM 0 HB2 ALA A 71 -9.266 0.396 0.688 1.00 52.51 H new ATOM 0 HB3 ALA A 71 -10.554 0.389 -0.541 1.00 52.51 H new ATOM 1212 N GLN A 72 -13.280 0.624 0.113 1.00 64.40 N ATOM 1213 CA GLN A 72 -14.568 1.197 -0.311 1.00 42.34 C ATOM 1214 C GLN A 72 -15.668 1.004 0.748 1.00 62.31 C ATOM 1215 O GLN A 72 -16.472 1.907 0.987 1.00 64.11 O ATOM 1216 CB GLN A 72 -15.014 0.591 -1.652 1.00 35.13 C ATOM 1217 CG GLN A 72 -14.125 0.974 -2.833 1.00 74.24 C ATOM 1218 CD GLN A 72 -14.664 0.469 -4.160 1.00 62.22 C ATOM 1219 OE1 GLN A 72 -15.412 1.158 -4.848 1.00 63.13 O ATOM 1220 NE2 GLN A 72 -14.307 -0.744 -4.521 1.00 34.12 N ATOM 0 H GLN A 72 -12.946 -0.138 -0.477 1.00 64.40 H new ATOM 0 HA GLN A 72 -14.415 2.269 -0.434 1.00 42.34 H new ATOM 0 HB2 GLN A 72 -15.031 -0.495 -1.560 1.00 35.13 H new ATOM 0 HB3 GLN A 72 -16.035 0.909 -1.861 1.00 35.13 H new ATOM 0 HG2 GLN A 72 -14.029 2.059 -2.874 1.00 74.24 H new ATOM 0 HG3 GLN A 72 -13.124 0.571 -2.675 1.00 74.24 H new ATOM 0 HE21 GLN A 72 -13.684 -1.290 -3.926 1.00 34.12 H new ATOM 0 HE22 GLN A 72 -14.653 -1.138 -5.396 1.00 34.12 H new ATOM 1229 N LYS A 73 -15.702 -0.166 1.384 1.00 41.41 N ATOM 1230 CA LYS A 73 -16.705 -0.441 2.424 1.00 51.42 C ATOM 1231 C LYS A 73 -16.448 0.390 3.696 1.00 1.53 C ATOM 1232 O LYS A 73 -17.350 0.586 4.516 1.00 1.15 O ATOM 1233 CB LYS A 73 -16.749 -1.942 2.752 1.00 73.45 C ATOM 1234 CG LYS A 73 -17.173 -2.808 1.564 1.00 72.01 C ATOM 1235 CD LYS A 73 -17.359 -4.286 1.926 1.00 12.45 C ATOM 1236 CE LYS A 73 -16.061 -4.963 2.368 1.00 12.22 C ATOM 1237 NZ LYS A 73 -15.691 -4.629 3.770 1.00 22.12 N ATOM 0 H LYS A 73 -15.056 -0.935 1.204 1.00 41.41 H new ATOM 0 HA LYS A 73 -17.677 -0.144 2.031 1.00 51.42 H new ATOM 0 HB2 LYS A 73 -15.764 -2.262 3.093 1.00 73.45 H new ATOM 0 HB3 LYS A 73 -17.441 -2.106 3.578 1.00 73.45 H new ATOM 0 HG2 LYS A 73 -18.107 -2.421 1.156 1.00 72.01 H new ATOM 0 HG3 LYS A 73 -16.423 -2.725 0.777 1.00 72.01 H new ATOM 0 HD2 LYS A 73 -18.095 -4.368 2.726 1.00 12.45 H new ATOM 0 HD3 LYS A 73 -17.764 -4.817 1.064 1.00 12.45 H new ATOM 0 HE2 LYS A 73 -16.168 -6.043 2.272 1.00 12.22 H new ATOM 0 HE3 LYS A 73 -15.253 -4.662 1.701 1.00 12.22 H new ATOM 0 HZ1 LYS A 73 -14.871 -3.990 3.770 1.00 22.12 H new ATOM 0 HZ2 LYS A 73 -16.493 -4.163 4.239 1.00 22.12 H new ATOM 0 HZ3 LYS A 73 -15.450 -5.501 4.283 1.00 22.12 H new ATOM 1251 N MET A 74 -15.212 0.872 3.860 1.00 31.04 N ATOM 1252 CA MET A 74 -14.883 1.813 4.940 1.00 72.11 C ATOM 1253 C MET A 74 -14.787 3.260 4.418 1.00 4.42 C ATOM 1254 O MET A 74 -14.524 4.191 5.182 1.00 51.41 O ATOM 1255 CB MET A 74 -13.580 1.401 5.640 1.00 34.32 C ATOM 1256 CG MET A 74 -13.704 0.102 6.427 1.00 43.54 C ATOM 1257 SD MET A 74 -12.211 -0.303 7.358 1.00 2.41 S ATOM 1258 CE MET A 74 -11.053 -0.636 6.031 1.00 1.30 C ATOM 0 H MET A 74 -14.423 0.628 3.261 1.00 31.04 H new ATOM 0 HA MET A 74 -15.693 1.777 5.668 1.00 72.11 H new ATOM 0 HB2 MET A 74 -12.793 1.292 4.893 1.00 34.32 H new ATOM 0 HB3 MET A 74 -13.270 2.199 6.315 1.00 34.32 H new ATOM 0 HG2 MET A 74 -14.545 0.180 7.116 1.00 43.54 H new ATOM 0 HG3 MET A 74 -13.929 -0.713 5.739 1.00 43.54 H new ATOM 0 HE1 MET A 74 -10.129 -1.037 6.447 1.00 1.30 H new ATOM 0 HE2 MET A 74 -11.486 -1.362 5.344 1.00 1.30 H new ATOM 0 HE3 MET A 74 -10.839 0.288 5.495 1.00 1.30 H new ATOM 1268 N GLU A 75 -15.006 3.428 3.110 1.00 30.02 N ATOM 1269 CA GLU A 75 -15.077 4.754 2.466 1.00 35.21 C ATOM 1270 C GLU A 75 -13.746 5.533 2.545 1.00 4.51 C ATOM 1271 O GLU A 75 -13.733 6.765 2.613 1.00 72.11 O ATOM 1272 CB GLU A 75 -16.227 5.573 3.083 1.00 30.11 C ATOM 1273 CG GLU A 75 -17.596 4.912 2.922 1.00 44.41 C ATOM 1274 CD GLU A 75 -18.744 5.785 3.408 1.00 24.11 C ATOM 1275 OE1 GLU A 75 -19.205 6.654 2.632 1.00 73.13 O ATOM 1276 OE2 GLU A 75 -19.199 5.603 4.558 1.00 23.04 O ATOM 0 H GLU A 75 -15.140 2.651 2.463 1.00 30.02 H new ATOM 0 HA GLU A 75 -15.272 4.590 1.406 1.00 35.21 H new ATOM 0 HB2 GLU A 75 -16.027 5.724 4.144 1.00 30.11 H new ATOM 0 HB3 GLU A 75 -16.251 6.559 2.619 1.00 30.11 H new ATOM 0 HG2 GLU A 75 -17.753 4.668 1.871 1.00 44.41 H new ATOM 0 HG3 GLU A 75 -17.605 3.971 3.473 1.00 44.41 H new ATOM 1283 N ILE A 76 -12.630 4.809 2.484 1.00 44.15 N ATOM 1284 CA ILE A 76 -11.295 5.422 2.567 1.00 3.12 C ATOM 1285 C ILE A 76 -10.757 5.823 1.178 1.00 61.11 C ATOM 1286 O ILE A 76 -10.887 5.076 0.206 1.00 12.40 O ATOM 1287 CB ILE A 76 -10.286 4.455 3.232 1.00 72.55 C ATOM 1288 CG1 ILE A 76 -10.845 3.930 4.564 1.00 30.42 C ATOM 1289 CG2 ILE A 76 -8.936 5.146 3.451 1.00 13.24 C ATOM 1290 CD1 ILE A 76 -9.961 2.899 5.231 1.00 40.31 C ATOM 0 H ILE A 76 -12.618 3.795 2.377 1.00 44.15 H new ATOM 0 HA ILE A 76 -11.402 6.321 3.174 1.00 3.12 H new ATOM 0 HB ILE A 76 -10.131 3.608 2.563 1.00 72.55 H new ATOM 0 HG12 ILE A 76 -10.986 4.770 5.245 1.00 30.42 H new ATOM 0 HG13 ILE A 76 -11.828 3.493 4.388 1.00 30.42 H new ATOM 0 HG21 ILE A 76 -8.242 4.448 3.919 1.00 13.24 H new ATOM 0 HG22 ILE A 76 -8.533 5.470 2.491 1.00 13.24 H new ATOM 0 HG23 ILE A 76 -9.072 6.012 4.098 1.00 13.24 H new ATOM 0 HD11 ILE A 76 -10.420 2.575 6.165 1.00 40.31 H new ATOM 0 HD12 ILE A 76 -9.840 2.041 4.570 1.00 40.31 H new ATOM 0 HD13 ILE A 76 -8.985 3.337 5.439 1.00 40.31 H new ATOM 1302 N ASP A 77 -10.153 7.011 1.097 1.00 40.12 N ATOM 1303 CA ASP A 77 -9.506 7.477 -0.134 1.00 60.43 C ATOM 1304 C ASP A 77 -8.145 6.773 -0.344 1.00 24.41 C ATOM 1305 O ASP A 77 -7.112 7.211 0.170 1.00 4.40 O ATOM 1306 CB ASP A 77 -9.321 8.999 -0.077 1.00 64.40 C ATOM 1307 CG ASP A 77 -10.638 9.740 0.107 1.00 1.25 C ATOM 1308 OD1 ASP A 77 -11.219 9.669 1.210 1.00 3.34 O ATOM 1309 OD2 ASP A 77 -11.098 10.403 -0.845 1.00 62.23 O ATOM 0 H ASP A 77 -10.098 7.671 1.873 1.00 40.12 H new ATOM 0 HA ASP A 77 -10.145 7.227 -0.981 1.00 60.43 H new ATOM 0 HB2 ASP A 77 -8.649 9.250 0.744 1.00 64.40 H new ATOM 0 HB3 ASP A 77 -8.842 9.338 -0.996 1.00 64.40 H new ATOM 1314 N VAL A 78 -8.160 5.670 -1.093 1.00 4.11 N ATOM 1315 CA VAL A 78 -6.963 4.835 -1.289 1.00 25.24 C ATOM 1316 C VAL A 78 -6.438 4.868 -2.733 1.00 61.11 C ATOM 1317 O VAL A 78 -7.101 5.358 -3.651 1.00 62.14 O ATOM 1318 CB VAL A 78 -7.235 3.359 -0.901 1.00 61.43 C ATOM 1319 CG1 VAL A 78 -7.607 3.245 0.575 1.00 23.10 C ATOM 1320 CG2 VAL A 78 -8.326 2.758 -1.791 1.00 65.24 C ATOM 0 H VAL A 78 -8.990 5.329 -1.578 1.00 4.11 H new ATOM 0 HA VAL A 78 -6.203 5.262 -0.635 1.00 25.24 H new ATOM 0 HB VAL A 78 -6.319 2.790 -1.060 1.00 61.43 H new ATOM 0 HG11 VAL A 78 -7.793 2.200 0.824 1.00 23.10 H new ATOM 0 HG12 VAL A 78 -6.788 3.623 1.187 1.00 23.10 H new ATOM 0 HG13 VAL A 78 -8.506 3.830 0.770 1.00 23.10 H new ATOM 0 HG21 VAL A 78 -8.501 1.722 -1.502 1.00 65.24 H new ATOM 0 HG22 VAL A 78 -9.247 3.329 -1.673 1.00 65.24 H new ATOM 0 HG23 VAL A 78 -8.007 2.795 -2.833 1.00 65.24 H new ATOM 1330 N ARG A 79 -5.224 4.354 -2.910 1.00 70.23 N ATOM 1331 CA ARG A 79 -4.601 4.210 -4.228 1.00 54.45 C ATOM 1332 C ARG A 79 -3.972 2.808 -4.350 1.00 4.10 C ATOM 1333 O ARG A 79 -2.808 2.602 -4.003 1.00 31.41 O ATOM 1334 CB ARG A 79 -3.534 5.305 -4.426 1.00 40.41 C ATOM 1335 CG ARG A 79 -3.158 5.580 -5.884 1.00 23.00 C ATOM 1336 CD ARG A 79 -4.344 6.126 -6.673 1.00 1.23 C ATOM 1337 NE ARG A 79 -3.963 6.599 -8.003 1.00 43.30 N ATOM 1338 CZ ARG A 79 -4.815 6.952 -8.927 1.00 42.13 C ATOM 1339 NH1 ARG A 79 -6.094 6.889 -8.712 1.00 41.21 N ATOM 1340 NH2 ARG A 79 -4.389 7.372 -10.069 1.00 25.11 N ATOM 0 H ARG A 79 -4.640 4.023 -2.142 1.00 70.23 H new ATOM 0 HA ARG A 79 -5.358 4.323 -5.004 1.00 54.45 H new ATOM 0 HB2 ARG A 79 -3.896 6.230 -3.978 1.00 40.41 H new ATOM 0 HB3 ARG A 79 -2.634 5.018 -3.882 1.00 40.41 H new ATOM 0 HG2 ARG A 79 -2.335 6.294 -5.920 1.00 23.00 H new ATOM 0 HG3 ARG A 79 -2.802 4.660 -6.349 1.00 23.00 H new ATOM 0 HD2 ARG A 79 -5.100 5.347 -6.771 1.00 1.23 H new ATOM 0 HD3 ARG A 79 -4.800 6.945 -6.117 1.00 1.23 H new ATOM 0 HE ARG A 79 -2.969 6.657 -8.223 1.00 43.30 H new ATOM 0 HH11 ARG A 79 -6.444 6.561 -7.812 1.00 41.21 H new ATOM 0 HH12 ARG A 79 -6.748 7.168 -9.443 1.00 41.21 H new ATOM 0 HH21 ARG A 79 -3.387 7.428 -10.250 1.00 25.11 H new ATOM 0 HH22 ARG A 79 -5.054 7.648 -10.791 1.00 25.11 H new ATOM 1354 N THR A 80 -4.759 1.836 -4.808 1.00 35.02 N ATOM 1355 CA THR A 80 -4.315 0.432 -4.852 1.00 11.41 C ATOM 1356 C THR A 80 -3.758 0.050 -6.230 1.00 71.33 C ATOM 1357 O THR A 80 -4.455 0.147 -7.241 1.00 50.41 O ATOM 1358 CB THR A 80 -5.468 -0.541 -4.494 1.00 71.40 C ATOM 1359 OG1 THR A 80 -6.083 -0.140 -3.260 1.00 43.04 O ATOM 1360 CG2 THR A 80 -4.958 -1.974 -4.361 1.00 24.01 C ATOM 0 H THR A 80 -5.706 1.988 -5.155 1.00 35.02 H new ATOM 0 HA THR A 80 -3.521 0.343 -4.110 1.00 11.41 H new ATOM 0 HB THR A 80 -6.200 -0.505 -5.301 1.00 71.40 H new ATOM 0 HG1 THR A 80 -6.811 -0.758 -3.041 1.00 43.04 H new ATOM 0 HG21 THR A 80 -5.788 -2.634 -4.110 1.00 24.01 H new ATOM 0 HG22 THR A 80 -4.515 -2.292 -5.305 1.00 24.01 H new ATOM 0 HG23 THR A 80 -4.206 -2.021 -3.573 1.00 24.01 H new ATOM 1368 N ARG A 81 -2.495 -0.374 -6.266 1.00 41.11 N ATOM 1369 CA ARG A 81 -1.834 -0.788 -7.515 1.00 61.42 C ATOM 1370 C ARG A 81 -1.462 -2.282 -7.473 1.00 74.12 C ATOM 1371 O ARG A 81 -1.238 -2.845 -6.401 1.00 62.21 O ATOM 1372 CB ARG A 81 -0.556 0.035 -7.744 1.00 42.32 C ATOM 1373 CG ARG A 81 -0.757 1.552 -7.800 1.00 50.42 C ATOM 1374 CD ARG A 81 -1.593 1.998 -9.002 1.00 11.32 C ATOM 1375 NE ARG A 81 -3.029 1.863 -8.768 1.00 3.13 N ATOM 1376 CZ ARG A 81 -3.950 2.179 -9.636 1.00 73.44 C ATOM 1377 NH1 ARG A 81 -3.627 2.559 -10.831 1.00 44.33 N ATOM 1378 NH2 ARG A 81 -5.199 2.081 -9.309 1.00 52.52 N ATOM 0 H ARG A 81 -1.900 -0.442 -5.440 1.00 41.11 H new ATOM 0 HA ARG A 81 -2.535 -0.616 -8.331 1.00 61.42 H new ATOM 0 HB2 ARG A 81 0.151 -0.192 -6.946 1.00 42.32 H new ATOM 0 HB3 ARG A 81 -0.097 -0.289 -8.678 1.00 42.32 H new ATOM 0 HG2 ARG A 81 -1.244 1.883 -6.883 1.00 50.42 H new ATOM 0 HG3 ARG A 81 0.216 2.041 -7.839 1.00 50.42 H new ATOM 0 HD2 ARG A 81 -1.363 3.038 -9.235 1.00 11.32 H new ATOM 0 HD3 ARG A 81 -1.313 1.407 -9.874 1.00 11.32 H new ATOM 0 HE ARG A 81 -3.332 1.497 -7.865 1.00 3.13 H new ATOM 0 HH11 ARG A 81 -2.645 2.613 -11.101 1.00 44.33 H new ATOM 0 HH12 ARG A 81 -4.355 2.804 -11.502 1.00 44.33 H new ATOM 0 HH21 ARG A 81 -5.458 1.758 -8.377 1.00 52.52 H new ATOM 0 HH22 ARG A 81 -5.924 2.327 -9.984 1.00 52.52 H new ATOM 1392 N LYS A 82 -1.382 -2.916 -8.643 1.00 3.24 N ATOM 1393 CA LYS A 82 -0.987 -4.331 -8.737 1.00 31.23 C ATOM 1394 C LYS A 82 0.450 -4.463 -9.276 1.00 52.33 C ATOM 1395 O LYS A 82 0.777 -3.903 -10.326 1.00 61.55 O ATOM 1396 CB LYS A 82 -1.956 -5.095 -9.651 1.00 45.44 C ATOM 1397 CG LYS A 82 -1.751 -6.610 -9.648 1.00 24.21 C ATOM 1398 CD LYS A 82 -2.579 -7.301 -10.731 1.00 5.43 C ATOM 1399 CE LYS A 82 -2.090 -6.943 -12.130 1.00 5.52 C ATOM 1400 NZ LYS A 82 -2.941 -7.542 -13.192 1.00 33.05 N ATOM 0 H LYS A 82 -1.584 -2.477 -9.541 1.00 3.24 H new ATOM 0 HA LYS A 82 -1.025 -4.760 -7.736 1.00 31.23 H new ATOM 0 HB2 LYS A 82 -2.978 -4.877 -9.343 1.00 45.44 H new ATOM 0 HB3 LYS A 82 -1.845 -4.726 -10.671 1.00 45.44 H new ATOM 0 HG2 LYS A 82 -0.695 -6.833 -9.801 1.00 24.21 H new ATOM 0 HG3 LYS A 82 -2.024 -7.011 -8.672 1.00 24.21 H new ATOM 0 HD2 LYS A 82 -2.529 -8.381 -10.593 1.00 5.43 H new ATOM 0 HD3 LYS A 82 -3.626 -7.015 -10.627 1.00 5.43 H new ATOM 0 HE2 LYS A 82 -2.080 -5.859 -12.243 1.00 5.52 H new ATOM 0 HE3 LYS A 82 -1.063 -7.286 -12.253 1.00 5.52 H new ATOM 0 HZ1 LYS A 82 -2.572 -7.272 -14.126 1.00 33.05 H new ATOM 0 HZ2 LYS A 82 -2.931 -8.578 -13.102 1.00 33.05 H new ATOM 0 HZ3 LYS A 82 -3.916 -7.195 -13.092 1.00 33.05 H new ATOM 1414 N VAL A 83 1.303 -5.202 -8.561 1.00 51.05 N ATOM 1415 CA VAL A 83 2.709 -5.366 -8.960 1.00 62.02 C ATOM 1416 C VAL A 83 3.216 -6.805 -8.753 1.00 71.13 C ATOM 1417 O VAL A 83 2.888 -7.463 -7.765 1.00 31.24 O ATOM 1418 CB VAL A 83 3.640 -4.396 -8.183 1.00 24.12 C ATOM 1419 CG1 VAL A 83 3.338 -2.945 -8.548 1.00 51.04 C ATOM 1420 CG2 VAL A 83 3.515 -4.609 -6.673 1.00 62.02 C ATOM 0 H VAL A 83 1.049 -5.696 -7.705 1.00 51.05 H new ATOM 0 HA VAL A 83 2.741 -5.133 -10.024 1.00 62.02 H new ATOM 0 HB VAL A 83 4.668 -4.614 -8.472 1.00 24.12 H new ATOM 0 HG11 VAL A 83 4.002 -2.284 -7.991 1.00 51.04 H new ATOM 0 HG12 VAL A 83 3.493 -2.799 -9.617 1.00 51.04 H new ATOM 0 HG13 VAL A 83 2.303 -2.714 -8.297 1.00 51.04 H new ATOM 0 HG21 VAL A 83 4.177 -3.918 -6.152 1.00 62.02 H new ATOM 0 HG22 VAL A 83 2.486 -4.428 -6.364 1.00 62.02 H new ATOM 0 HG23 VAL A 83 3.793 -5.634 -6.426 1.00 62.02 H new ATOM 1430 N THR A 84 4.009 -7.284 -9.708 1.00 32.42 N ATOM 1431 CA THR A 84 4.685 -8.587 -9.598 1.00 50.34 C ATOM 1432 C THR A 84 6.208 -8.420 -9.708 1.00 75.21 C ATOM 1433 O THR A 84 6.977 -9.181 -9.115 1.00 35.44 O ATOM 1434 CB THR A 84 4.208 -9.579 -10.687 1.00 61.30 C ATOM 1435 OG1 THR A 84 4.470 -9.045 -11.993 1.00 50.34 O ATOM 1436 CG2 THR A 84 2.717 -9.877 -10.545 1.00 50.11 C ATOM 0 H THR A 84 4.205 -6.788 -10.578 1.00 32.42 H new ATOM 0 HA THR A 84 4.427 -8.994 -8.620 1.00 50.34 H new ATOM 0 HB THR A 84 4.761 -10.509 -10.558 1.00 61.30 H new ATOM 0 HG1 THR A 84 4.166 -9.681 -12.674 1.00 50.34 H new ATOM 0 HG21 THR A 84 2.410 -10.576 -11.323 1.00 50.11 H new ATOM 0 HG22 THR A 84 2.525 -10.316 -9.566 1.00 50.11 H new ATOM 0 HG23 THR A 84 2.150 -8.952 -10.645 1.00 50.11 H new ATOM 1444 N SER A 85 6.638 -7.423 -10.484 1.00 63.24 N ATOM 1445 CA SER A 85 8.063 -7.071 -10.602 1.00 45.42 C ATOM 1446 C SER A 85 8.440 -5.962 -9.600 1.00 75.42 C ATOM 1447 O SER A 85 7.632 -5.075 -9.313 1.00 5.52 O ATOM 1448 CB SER A 85 8.392 -6.611 -12.032 1.00 62.24 C ATOM 1449 OG SER A 85 8.143 -7.641 -12.977 1.00 55.22 O ATOM 0 H SER A 85 6.018 -6.839 -11.045 1.00 63.24 H new ATOM 0 HA SER A 85 8.646 -7.963 -10.373 1.00 45.42 H new ATOM 0 HB2 SER A 85 7.794 -5.734 -12.281 1.00 62.24 H new ATOM 0 HB3 SER A 85 9.438 -6.309 -12.087 1.00 62.24 H new ATOM 0 HG SER A 85 8.360 -7.319 -13.877 1.00 55.22 H new ATOM 1455 N PRO A 86 9.682 -5.981 -9.067 1.00 53.13 N ATOM 1456 CA PRO A 86 10.116 -5.026 -8.027 1.00 43.20 C ATOM 1457 C PRO A 86 10.168 -3.565 -8.513 1.00 0.01 C ATOM 1458 O PRO A 86 9.686 -2.660 -7.828 1.00 2.23 O ATOM 1459 CB PRO A 86 11.517 -5.530 -7.640 1.00 11.24 C ATOM 1460 CG PRO A 86 11.988 -6.298 -8.828 1.00 23.10 C ATOM 1461 CD PRO A 86 10.758 -6.924 -9.431 1.00 62.42 C ATOM 0 HA PRO A 86 9.412 -4.998 -7.196 1.00 43.20 H new ATOM 0 HB2 PRO A 86 12.187 -4.701 -7.414 1.00 11.24 H new ATOM 0 HB3 PRO A 86 11.479 -6.160 -6.751 1.00 11.24 H new ATOM 0 HG2 PRO A 86 12.484 -5.643 -9.545 1.00 23.10 H new ATOM 0 HG3 PRO A 86 12.712 -7.060 -8.538 1.00 23.10 H new ATOM 0 HD2 PRO A 86 10.850 -7.031 -10.512 1.00 62.42 H new ATOM 0 HD3 PRO A 86 10.574 -7.919 -9.027 1.00 62.42 H new ATOM 1469 N ASP A 87 10.749 -3.333 -9.696 1.00 63.45 N ATOM 1470 CA ASP A 87 10.855 -1.974 -10.248 1.00 71.24 C ATOM 1471 C ASP A 87 9.477 -1.344 -10.503 1.00 13.22 C ATOM 1472 O ASP A 87 9.337 -0.118 -10.482 1.00 3.43 O ATOM 1473 CB ASP A 87 11.699 -1.974 -11.526 1.00 13.45 C ATOM 1474 CG ASP A 87 13.159 -2.279 -11.231 1.00 31.54 C ATOM 1475 OD1 ASP A 87 13.890 -1.358 -10.802 1.00 53.14 O ATOM 1476 OD2 ASP A 87 13.577 -3.443 -11.408 1.00 21.42 O ATOM 0 H ASP A 87 11.151 -4.061 -10.287 1.00 63.45 H new ATOM 0 HA ASP A 87 11.355 -1.359 -9.500 1.00 71.24 H new ATOM 0 HB2 ASP A 87 11.305 -2.714 -12.223 1.00 13.45 H new ATOM 0 HB3 ASP A 87 11.621 -1.003 -12.015 1.00 13.45 H new ATOM 1481 N GLU A 88 8.464 -2.177 -10.729 1.00 13.51 N ATOM 1482 CA GLU A 88 7.088 -1.691 -10.834 1.00 34.32 C ATOM 1483 C GLU A 88 6.643 -1.057 -9.510 1.00 65.40 C ATOM 1484 O GLU A 88 6.198 0.091 -9.480 1.00 21.21 O ATOM 1485 CB GLU A 88 6.138 -2.833 -11.216 1.00 64.53 C ATOM 1486 CG GLU A 88 6.387 -3.406 -12.607 1.00 13.30 C ATOM 1487 CD GLU A 88 6.255 -2.364 -13.709 1.00 61.04 C ATOM 1488 OE1 GLU A 88 5.143 -1.821 -13.888 1.00 61.41 O ATOM 1489 OE2 GLU A 88 7.253 -2.094 -14.404 1.00 11.32 O ATOM 0 H GLU A 88 8.567 -3.185 -10.842 1.00 13.51 H new ATOM 0 HA GLU A 88 7.053 -0.934 -11.617 1.00 34.32 H new ATOM 0 HB2 GLU A 88 6.234 -3.633 -10.482 1.00 64.53 H new ATOM 0 HB3 GLU A 88 5.111 -2.472 -11.161 1.00 64.53 H new ATOM 0 HG2 GLU A 88 7.386 -3.840 -12.642 1.00 13.30 H new ATOM 0 HG3 GLU A 88 5.681 -4.215 -12.793 1.00 13.30 H new ATOM 1496 N ALA A 89 6.789 -1.804 -8.411 1.00 54.15 N ATOM 1497 CA ALA A 89 6.466 -1.290 -7.074 1.00 14.13 C ATOM 1498 C ALA A 89 7.268 -0.016 -6.764 1.00 54.30 C ATOM 1499 O ALA A 89 6.717 0.977 -6.289 1.00 40.11 O ATOM 1500 CB ALA A 89 6.730 -2.359 -6.017 1.00 64.34 C ATOM 0 H ALA A 89 7.128 -2.766 -8.420 1.00 54.15 H new ATOM 0 HA ALA A 89 5.407 -1.033 -7.055 1.00 14.13 H new ATOM 0 HB1 ALA A 89 6.486 -1.964 -5.031 1.00 64.34 H new ATOM 0 HB2 ALA A 89 6.111 -3.233 -6.221 1.00 64.34 H new ATOM 0 HB3 ALA A 89 7.782 -2.645 -6.043 1.00 64.34 H new ATOM 1506 N LYS A 90 8.571 -0.057 -7.050 1.00 65.41 N ATOM 1507 CA LYS A 90 9.455 1.106 -6.883 1.00 52.42 C ATOM 1508 C LYS A 90 8.902 2.344 -7.614 1.00 4.32 C ATOM 1509 O LYS A 90 8.838 3.440 -7.047 1.00 75.11 O ATOM 1510 CB LYS A 90 10.861 0.761 -7.401 1.00 41.54 C ATOM 1511 CG LYS A 90 11.566 -0.324 -6.587 1.00 41.02 C ATOM 1512 CD LYS A 90 12.807 -0.869 -7.295 1.00 34.00 C ATOM 1513 CE LYS A 90 13.812 0.219 -7.638 1.00 44.34 C ATOM 1514 NZ LYS A 90 15.009 -0.344 -8.311 1.00 72.25 N ATOM 0 H LYS A 90 9.044 -0.890 -7.402 1.00 65.41 H new ATOM 0 HA LYS A 90 9.508 1.349 -5.822 1.00 52.42 H new ATOM 0 HB2 LYS A 90 10.786 0.434 -8.438 1.00 41.54 H new ATOM 0 HB3 LYS A 90 11.473 1.663 -7.394 1.00 41.54 H new ATOM 0 HG2 LYS A 90 11.853 0.082 -5.617 1.00 41.02 H new ATOM 0 HG3 LYS A 90 10.871 -1.142 -6.397 1.00 41.02 H new ATOM 0 HD2 LYS A 90 13.286 -1.613 -6.658 1.00 34.00 H new ATOM 0 HD3 LYS A 90 12.504 -1.379 -8.209 1.00 34.00 H new ATOM 0 HE2 LYS A 90 13.343 0.959 -8.286 1.00 44.34 H new ATOM 0 HE3 LYS A 90 14.114 0.738 -6.728 1.00 44.34 H new ATOM 0 HZ1 LYS A 90 15.705 0.412 -8.471 1.00 72.25 H new ATOM 0 HZ2 LYS A 90 15.430 -1.081 -7.710 1.00 72.25 H new ATOM 0 HZ3 LYS A 90 14.731 -0.758 -9.224 1.00 72.25 H new ATOM 1528 N ARG A 91 8.490 2.157 -8.867 1.00 53.20 N ATOM 1529 CA ARG A 91 7.915 3.246 -9.663 1.00 61.32 C ATOM 1530 C ARG A 91 6.590 3.737 -9.063 1.00 53.11 C ATOM 1531 O ARG A 91 6.371 4.941 -8.931 1.00 4.12 O ATOM 1532 CB ARG A 91 7.684 2.795 -11.115 1.00 44.34 C ATOM 1533 CG ARG A 91 7.034 3.869 -11.985 1.00 22.34 C ATOM 1534 CD ARG A 91 6.758 3.384 -13.403 1.00 62.00 C ATOM 1535 NE ARG A 91 6.070 4.407 -14.189 1.00 4.00 N ATOM 1536 CZ ARG A 91 4.832 4.317 -14.593 1.00 72.31 C ATOM 1537 NH1 ARG A 91 4.131 3.255 -14.351 1.00 31.13 N ATOM 1538 NH2 ARG A 91 4.297 5.291 -15.249 1.00 1.42 N ATOM 0 H ARG A 91 8.543 1.263 -9.355 1.00 53.20 H new ATOM 0 HA ARG A 91 8.629 4.069 -9.651 1.00 61.32 H new ATOM 0 HB2 ARG A 91 8.639 2.509 -11.556 1.00 44.34 H new ATOM 0 HB3 ARG A 91 7.054 1.906 -11.116 1.00 44.34 H new ATOM 0 HG2 ARG A 91 6.099 4.187 -11.525 1.00 22.34 H new ATOM 0 HG3 ARG A 91 7.684 4.743 -12.024 1.00 22.34 H new ATOM 0 HD2 ARG A 91 7.697 3.120 -13.889 1.00 62.00 H new ATOM 0 HD3 ARG A 91 6.151 2.479 -13.369 1.00 62.00 H new ATOM 0 HE ARG A 91 6.592 5.247 -14.438 1.00 4.00 H new ATOM 0 HH11 ARG A 91 4.545 2.476 -13.839 1.00 31.13 H new ATOM 0 HH12 ARG A 91 3.165 3.198 -14.672 1.00 31.13 H new ATOM 0 HH21 ARG A 91 4.841 6.130 -15.451 1.00 1.42 H new ATOM 0 HH22 ARG A 91 3.330 5.222 -15.565 1.00 1.42 H new ATOM 1552 N TRP A 92 5.713 2.800 -8.703 1.00 43.42 N ATOM 1553 CA TRP A 92 4.393 3.137 -8.157 1.00 51.41 C ATOM 1554 C TRP A 92 4.482 3.884 -6.820 1.00 11.13 C ATOM 1555 O TRP A 92 3.692 4.794 -6.563 1.00 12.50 O ATOM 1556 CB TRP A 92 3.529 1.875 -8.018 1.00 60.25 C ATOM 1557 CG TRP A 92 2.999 1.388 -9.338 1.00 62.12 C ATOM 1558 CD1 TRP A 92 3.255 0.196 -9.953 1.00 21.44 C ATOM 1559 CD2 TRP A 92 2.130 2.111 -10.214 1.00 15.23 C ATOM 1560 NE1 TRP A 92 2.589 0.133 -11.154 1.00 42.00 N ATOM 1561 CE2 TRP A 92 1.891 1.297 -11.335 1.00 53.24 C ATOM 1562 CE3 TRP A 92 1.527 3.367 -10.152 1.00 65.01 C ATOM 1563 CZ2 TRP A 92 1.076 1.702 -12.386 1.00 50.13 C ATOM 1564 CZ3 TRP A 92 0.719 3.770 -11.193 1.00 11.02 C ATOM 1565 CH2 TRP A 92 0.497 2.940 -12.299 1.00 71.03 C ATOM 0 H TRP A 92 5.891 1.799 -8.779 1.00 43.42 H new ATOM 0 HA TRP A 92 3.919 3.815 -8.866 1.00 51.41 H new ATOM 0 HB2 TRP A 92 4.119 1.085 -7.554 1.00 60.25 H new ATOM 0 HB3 TRP A 92 2.693 2.083 -7.350 1.00 60.25 H new ATOM 0 HD1 TRP A 92 3.888 -0.583 -9.554 1.00 21.44 H new ATOM 0 HE1 TRP A 92 2.611 -0.653 -11.804 1.00 42.00 H new ATOM 0 HE3 TRP A 92 1.691 4.013 -9.302 1.00 65.01 H new ATOM 0 HZ2 TRP A 92 0.906 1.063 -13.240 1.00 50.13 H new ATOM 0 HZ3 TRP A 92 0.249 4.742 -11.155 1.00 11.02 H new ATOM 0 HH2 TRP A 92 -0.143 3.283 -13.099 1.00 71.03 H new ATOM 1576 N ILE A 93 5.434 3.505 -5.969 1.00 51.35 N ATOM 1577 CA ILE A 93 5.675 4.240 -4.725 1.00 21.53 C ATOM 1578 C ILE A 93 6.078 5.689 -5.028 1.00 53.24 C ATOM 1579 O ILE A 93 5.633 6.625 -4.358 1.00 3.22 O ATOM 1580 CB ILE A 93 6.765 3.561 -3.853 1.00 61.01 C ATOM 1581 CG1 ILE A 93 6.294 2.164 -3.405 1.00 75.22 C ATOM 1582 CG2 ILE A 93 7.119 4.427 -2.638 1.00 2.15 C ATOM 1583 CD1 ILE A 93 7.290 1.429 -2.531 1.00 45.51 C ATOM 0 H ILE A 93 6.046 2.702 -6.114 1.00 51.35 H new ATOM 0 HA ILE A 93 4.743 4.234 -4.160 1.00 21.53 H new ATOM 0 HB ILE A 93 7.665 3.450 -4.457 1.00 61.01 H new ATOM 0 HG12 ILE A 93 5.355 2.266 -2.861 1.00 75.22 H new ATOM 0 HG13 ILE A 93 6.087 1.561 -4.289 1.00 75.22 H new ATOM 0 HG21 ILE A 93 7.885 3.927 -2.045 1.00 2.15 H new ATOM 0 HG22 ILE A 93 7.495 5.392 -2.976 1.00 2.15 H new ATOM 0 HG23 ILE A 93 6.229 4.578 -2.027 1.00 2.15 H new ATOM 0 HD11 ILE A 93 6.885 0.455 -2.258 1.00 45.51 H new ATOM 0 HD12 ILE A 93 8.223 1.294 -3.078 1.00 45.51 H new ATOM 0 HD13 ILE A 93 7.479 2.009 -1.628 1.00 45.51 H new ATOM 1595 N LYS A 94 6.907 5.869 -6.057 1.00 50.51 N ATOM 1596 CA LYS A 94 7.304 7.210 -6.489 1.00 31.10 C ATOM 1597 C LYS A 94 6.122 7.964 -7.126 1.00 33.20 C ATOM 1598 O LYS A 94 5.945 9.155 -6.891 1.00 73.42 O ATOM 1599 CB LYS A 94 8.484 7.145 -7.465 1.00 22.03 C ATOM 1600 CG LYS A 94 9.052 8.518 -7.816 1.00 51.14 C ATOM 1601 CD LYS A 94 10.319 8.415 -8.654 1.00 60.34 C ATOM 1602 CE LYS A 94 11.005 9.769 -8.796 1.00 51.54 C ATOM 1603 NZ LYS A 94 12.246 9.683 -9.609 1.00 72.01 N ATOM 0 H LYS A 94 7.314 5.110 -6.603 1.00 50.51 H new ATOM 0 HA LYS A 94 7.620 7.760 -5.603 1.00 31.10 H new ATOM 0 HB2 LYS A 94 9.274 6.533 -7.029 1.00 22.03 H new ATOM 0 HB3 LYS A 94 8.163 6.647 -8.380 1.00 22.03 H new ATOM 0 HG2 LYS A 94 8.303 9.092 -8.361 1.00 51.14 H new ATOM 0 HG3 LYS A 94 9.268 9.066 -6.899 1.00 51.14 H new ATOM 0 HD2 LYS A 94 11.005 7.705 -8.193 1.00 60.34 H new ATOM 0 HD3 LYS A 94 10.073 8.025 -9.642 1.00 60.34 H new ATOM 0 HE2 LYS A 94 10.317 10.477 -9.258 1.00 51.54 H new ATOM 0 HE3 LYS A 94 11.246 10.159 -7.807 1.00 51.54 H new ATOM 0 HZ1 LYS A 94 12.680 10.625 -9.680 1.00 72.01 H new ATOM 0 HZ2 LYS A 94 12.914 9.027 -9.155 1.00 72.01 H new ATOM 0 HZ3 LYS A 94 12.014 9.336 -10.561 1.00 72.01 H new ATOM 1617 N GLU A 95 5.307 7.262 -7.925 1.00 32.21 N ATOM 1618 CA GLU A 95 4.095 7.856 -8.512 1.00 44.11 C ATOM 1619 C GLU A 95 3.209 8.457 -7.416 1.00 11.23 C ATOM 1620 O GLU A 95 2.748 9.595 -7.517 1.00 44.33 O ATOM 1621 CB GLU A 95 3.294 6.798 -9.295 1.00 33.44 C ATOM 1622 CG GLU A 95 3.961 6.323 -10.582 1.00 31.53 C ATOM 1623 CD GLU A 95 4.084 7.428 -11.620 1.00 50.25 C ATOM 1624 OE1 GLU A 95 3.058 7.786 -12.239 1.00 70.35 O ATOM 1625 OE2 GLU A 95 5.203 7.951 -11.814 1.00 44.10 O ATOM 0 H GLU A 95 5.463 6.287 -8.180 1.00 32.21 H new ATOM 0 HA GLU A 95 4.406 8.645 -9.197 1.00 44.11 H new ATOM 0 HB2 GLU A 95 3.126 5.937 -8.649 1.00 33.44 H new ATOM 0 HB3 GLU A 95 2.315 7.210 -9.539 1.00 33.44 H new ATOM 0 HG2 GLU A 95 4.953 5.935 -10.351 1.00 31.53 H new ATOM 0 HG3 GLU A 95 3.386 5.498 -11.002 1.00 31.53 H new ATOM 1632 N PHE A 96 2.995 7.671 -6.366 1.00 73.00 N ATOM 1633 CA PHE A 96 2.211 8.093 -5.204 1.00 12.05 C ATOM 1634 C PHE A 96 2.830 9.327 -4.520 1.00 20.12 C ATOM 1635 O PHE A 96 2.134 10.303 -4.228 1.00 31.43 O ATOM 1636 CB PHE A 96 2.124 6.922 -4.221 1.00 73.01 C ATOM 1637 CG PHE A 96 1.298 7.189 -2.992 1.00 11.43 C ATOM 1638 CD1 PHE A 96 -0.081 7.305 -3.078 1.00 14.30 C ATOM 1639 CD2 PHE A 96 1.900 7.306 -1.747 1.00 22.14 C ATOM 1640 CE1 PHE A 96 -0.839 7.532 -1.950 1.00 64.23 C ATOM 1641 CE2 PHE A 96 1.144 7.529 -0.617 1.00 1.12 C ATOM 1642 CZ PHE A 96 -0.226 7.643 -0.718 1.00 63.45 C ATOM 0 H PHE A 96 3.360 6.721 -6.294 1.00 73.00 H new ATOM 0 HA PHE A 96 1.213 8.379 -5.535 1.00 12.05 H new ATOM 0 HB2 PHE A 96 1.707 6.060 -4.741 1.00 73.01 H new ATOM 0 HB3 PHE A 96 3.133 6.650 -3.911 1.00 73.01 H new ATOM 0 HD1 PHE A 96 -0.566 7.217 -4.039 1.00 14.30 H new ATOM 0 HD2 PHE A 96 2.973 7.221 -1.663 1.00 22.14 H new ATOM 0 HE1 PHE A 96 -1.912 7.623 -2.030 1.00 64.23 H new ATOM 0 HE2 PHE A 96 1.624 7.614 0.347 1.00 1.12 H new ATOM 0 HZ PHE A 96 -0.820 7.819 0.167 1.00 63.45 H new ATOM 1652 N SER A 97 4.143 9.280 -4.276 1.00 63.34 N ATOM 1653 CA SER A 97 4.858 10.409 -3.662 1.00 43.32 C ATOM 1654 C SER A 97 4.887 11.629 -4.598 1.00 15.52 C ATOM 1655 O SER A 97 5.045 12.765 -4.147 1.00 13.13 O ATOM 1656 CB SER A 97 6.293 10.007 -3.274 1.00 72.12 C ATOM 1657 OG SER A 97 7.043 9.581 -4.402 1.00 74.32 O ATOM 0 H SER A 97 4.733 8.477 -4.492 1.00 63.34 H new ATOM 0 HA SER A 97 4.315 10.684 -2.758 1.00 43.32 H new ATOM 0 HB2 SER A 97 6.793 10.853 -2.803 1.00 72.12 H new ATOM 0 HB3 SER A 97 6.259 9.206 -2.536 1.00 72.12 H new ATOM 0 HG SER A 97 6.458 9.540 -5.187 1.00 74.32 H new ATOM 1663 N GLU A 98 4.744 11.389 -5.903 1.00 31.23 N ATOM 1664 CA GLU A 98 4.643 12.475 -6.888 1.00 24.34 C ATOM 1665 C GLU A 98 3.214 13.044 -6.954 1.00 3.15 C ATOM 1666 O GLU A 98 3.026 14.221 -7.274 1.00 12.45 O ATOM 1667 CB GLU A 98 5.087 11.998 -8.282 1.00 12.02 C ATOM 1668 CG GLU A 98 6.578 11.681 -8.388 1.00 74.02 C ATOM 1669 CD GLU A 98 7.462 12.897 -8.147 1.00 72.34 C ATOM 1670 OE1 GLU A 98 7.708 13.662 -9.107 1.00 44.32 O ATOM 1671 OE2 GLU A 98 7.909 13.103 -7.001 1.00 11.32 O ATOM 0 H GLU A 98 4.695 10.453 -6.305 1.00 31.23 H new ATOM 0 HA GLU A 98 5.312 13.271 -6.562 1.00 24.34 H new ATOM 0 HB2 GLU A 98 4.518 11.107 -8.548 1.00 12.02 H new ATOM 0 HB3 GLU A 98 4.837 12.766 -9.014 1.00 12.02 H new ATOM 0 HG2 GLU A 98 6.831 10.905 -7.665 1.00 74.02 H new ATOM 0 HG3 GLU A 98 6.788 11.276 -9.378 1.00 74.02 H new