USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 856 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 59 GLN :FLIP amide:sc=-0.00998 F(o=-0.81,f=-0.01) USER MOD Set 2.1: A 23 TYR OH : rot 30:sc= -0.0585 USER MOD Set 2.2: A 45 GLN : amide:sc= -0.171 K(o=-0.3,f=-1) USER MOD Set 2.3: A 66 SER OG : rot -170:sc= -0.0716 USER MOD Set 3.1: A 11 GLN : amide:sc= -1.77 X(o=-1.9,f=-1.6!) USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= -0.141 USER MOD Set 4.1: A 9 ASN : amide:sc= -8! C(o=-6.9!,f=-7.5!) USER MOD Set 4.2: A 41 LYS NZ :NH3+ -142:sc= 1.13 (180deg=-2.33!) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.0551 (180deg=-0.395) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= 1.16 (180deg=1.03) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.0752 F(o=-0.67,f=-0.075) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -116:sc= 0 (180deg=-1.07) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 1.33 (180deg=1.32) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 1.54 (180deg=1.28) USER MOD Single : A 43 HIS : no HD1:sc= -0.394 K(o=-0.39,f=-2.8!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= -0.103 (180deg=-0.428) USER MOD Single : A 61 LYS NZ :NH3+ 138:sc= 1.21 (180deg=0.0558!) USER MOD Single : A 69 TYR OH : rot 119:sc= 0.18 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.887 F(o=-2.4!,f=-0.89) USER MOD Single : A 79 LYS NZ :NH3+ 147:sc= 1.26 (180deg=1.06) USER MOD Single : A 82 THR OG1 : rot -45:sc= 1.23 USER MOD Single : A 84 HIS : no HD1:sc=-0.00637 X(o=-0.0064,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 138:sc= 1.09 (180deg=-3.58!) USER MOD Single : A 95 TYR OH : rot -165:sc= 0.473 USER MOD Single : A 100 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.19) USER MOD Single : A 102 LYS NZ :NH3+ 154:sc= 0.905 (180deg=0.526) USER MOD ----------------------------------------------------------------- ATOM 38 N ASP A 3 -16.607 -3.686 4.056 1.00 0.00 N ATOM 39 CA ASP A 3 -15.394 -4.558 3.907 1.00 0.00 C ATOM 40 C ASP A 3 -14.966 -4.668 2.432 1.00 0.00 C ATOM 41 O ASP A 3 -14.176 -5.540 2.076 1.00 0.00 O ATOM 42 CB ASP A 3 -15.638 -6.008 4.453 1.00 0.00 C ATOM 43 CG ASP A 3 -16.014 -6.102 5.921 1.00 0.00 C ATOM 44 OD1 ASP A 3 -17.195 -5.844 6.270 1.00 0.00 O ATOM 45 OD2 ASP A 3 -15.158 -6.481 6.755 1.00 0.00 O ATOM 0 HA ASP A 3 -14.608 -4.082 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -16.430 -6.470 3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.734 -6.595 4.290 1.00 0.00 H new ATOM 50 N LYS A 4 -15.404 -3.727 1.587 1.00 0.00 N ATOM 51 CA LYS A 4 -15.241 -3.862 0.118 1.00 0.00 C ATOM 52 C LYS A 4 -15.221 -2.501 -0.577 1.00 0.00 C ATOM 53 O LYS A 4 -16.246 -1.820 -0.632 1.00 0.00 O ATOM 54 CB LYS A 4 -16.404 -4.672 -0.505 1.00 0.00 C ATOM 55 CG LYS A 4 -16.547 -6.112 -0.045 1.00 0.00 C ATOM 56 CD LYS A 4 -15.413 -7.001 -0.523 1.00 0.00 C ATOM 57 CE LYS A 4 -15.573 -8.411 0.025 1.00 0.00 C ATOM 58 NZ LYS A 4 -16.890 -8.992 -0.324 1.00 0.00 N ATOM 0 H LYS A 4 -15.870 -2.869 1.882 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.291 -4.375 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.337 -4.151 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.280 -4.670 -1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.588 -6.138 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.493 -6.512 -0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.399 -7.028 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.458 -6.586 -0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.780 -9.046 -0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.459 -8.395 1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.881 -10.014 -0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.632 -8.538 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.083 -8.832 -1.333 1.00 0.00 H new ATOM 72 N TYR A 5 -14.050 -2.110 -1.089 1.00 0.00 N ATOM 73 CA TYR A 5 -13.824 -0.845 -1.855 1.00 0.00 C ATOM 74 C TYR A 5 -14.261 0.403 -1.139 1.00 0.00 C ATOM 75 O TYR A 5 -14.365 1.441 -1.715 1.00 0.00 O ATOM 76 CB TYR A 5 -14.298 -0.860 -3.351 1.00 0.00 C ATOM 77 CG TYR A 5 -15.725 -1.294 -3.661 1.00 0.00 C ATOM 78 CD1 TYR A 5 -16.749 -0.368 -3.719 1.00 0.00 C ATOM 79 CD2 TYR A 5 -16.035 -2.626 -3.936 1.00 0.00 C ATOM 80 CE1 TYR A 5 -18.036 -0.743 -4.037 1.00 0.00 C ATOM 81 CE2 TYR A 5 -17.326 -3.009 -4.248 1.00 0.00 C ATOM 82 CZ TYR A 5 -18.321 -2.060 -4.300 1.00 0.00 C ATOM 83 OH TYR A 5 -19.609 -2.427 -4.629 1.00 0.00 O ATOM 0 H TYR A 5 -13.201 -2.667 -0.989 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.736 -0.808 -1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -14.164 0.145 -3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -13.625 -1.515 -3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -16.536 0.670 -3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -15.253 -3.370 -3.905 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -18.820 -0.002 -4.079 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -17.552 -4.046 -4.450 1.00 0.00 H new ATOM 0 HH TYR A 5 -19.644 -3.394 -4.786 1.00 0.00 H new ATOM 93 N ASP A 6 -14.402 0.309 0.129 1.00 0.00 N ATOM 94 CA ASP A 6 -14.888 1.406 0.911 1.00 0.00 C ATOM 95 C ASP A 6 -13.813 2.118 1.695 1.00 0.00 C ATOM 96 O ASP A 6 -13.258 3.124 1.251 1.00 0.00 O ATOM 97 CB ASP A 6 -16.034 0.952 1.838 1.00 0.00 C ATOM 98 CG ASP A 6 -15.790 -0.404 2.511 1.00 0.00 C ATOM 99 OD1 ASP A 6 -14.870 -0.543 3.323 1.00 0.00 O ATOM 100 OD2 ASP A 6 -16.483 -1.359 2.146 1.00 0.00 O ATOM 0 H ASP A 6 -14.186 -0.530 0.667 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.271 2.136 0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.185 1.707 2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.956 0.899 1.260 1.00 0.00 H new ATOM 105 N LYS A 7 -13.413 1.502 2.731 1.00 0.00 N ATOM 106 CA LYS A 7 -12.662 2.128 3.801 1.00 0.00 C ATOM 107 C LYS A 7 -12.021 1.039 4.650 1.00 0.00 C ATOM 108 O LYS A 7 -10.821 0.794 4.556 1.00 0.00 O ATOM 109 CB LYS A 7 -13.682 2.928 4.662 1.00 0.00 C ATOM 110 CG LYS A 7 -13.209 3.408 6.034 1.00 0.00 C ATOM 111 CD LYS A 7 -14.412 3.897 6.844 1.00 0.00 C ATOM 112 CE LYS A 7 -14.088 4.121 8.320 1.00 0.00 C ATOM 113 NZ LYS A 7 -13.101 5.183 8.527 1.00 0.00 N ATOM 0 H LYS A 7 -13.592 0.510 2.889 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.882 2.784 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.998 3.800 4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.564 2.305 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.707 2.597 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.482 4.212 5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.778 4.829 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.219 3.169 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.004 4.373 8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.712 3.193 8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.103 5.469 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.156 4.834 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.342 6.002 7.932 1.00 0.00 H new ATOM 127 N ILE A 8 -12.867 0.285 5.336 1.00 0.00 N ATOM 128 CA ILE A 8 -12.482 -0.770 6.302 1.00 0.00 C ATOM 129 C ILE A 8 -12.182 -2.054 5.553 1.00 0.00 C ATOM 130 O ILE A 8 -12.538 -3.154 5.971 1.00 0.00 O ATOM 131 CB ILE A 8 -13.653 -1.023 7.288 1.00 0.00 C ATOM 132 CG1 ILE A 8 -14.950 -1.374 6.520 1.00 0.00 C ATOM 133 CG2 ILE A 8 -13.868 0.197 8.172 1.00 0.00 C ATOM 134 CD1 ILE A 8 -16.090 -1.793 7.401 1.00 0.00 C ATOM 0 H ILE A 8 -13.878 0.383 5.243 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.599 -0.448 6.854 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.395 -1.872 7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -15.258 -0.508 5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.736 -2.177 5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -14.692 0.007 8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.960 0.399 8.741 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.106 1.060 7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.960 -2.021 6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.805 -2.678 7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -16.334 -0.984 8.089 1.00 0.00 H new ATOM 146 N ASN A 9 -11.469 -1.892 4.500 1.00 0.00 N ATOM 147 CA ASN A 9 -11.275 -2.928 3.543 1.00 0.00 C ATOM 148 C ASN A 9 -9.788 -3.051 3.110 1.00 0.00 C ATOM 149 O ASN A 9 -9.517 -3.689 2.125 1.00 0.00 O ATOM 150 CB ASN A 9 -12.118 -2.546 2.293 1.00 0.00 C ATOM 151 CG ASN A 9 -11.444 -1.467 1.402 1.00 0.00 C ATOM 152 OD1 ASN A 9 -11.623 -1.443 0.215 1.00 0.00 O ATOM 153 ND2 ASN A 9 -10.785 -0.500 1.958 1.00 0.00 N ATOM 0 H ASN A 9 -10.993 -1.020 4.271 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.572 -3.881 3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.295 -3.441 1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.092 -2.181 2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.427 0.267 1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.624 -0.505 2.965 1.00 0.00 H new ATOM 160 N LEU A 10 -8.838 -2.471 3.864 1.00 0.00 N ATOM 161 CA LEU A 10 -7.425 -2.362 3.376 1.00 0.00 C ATOM 162 C LEU A 10 -6.848 -3.713 3.043 1.00 0.00 C ATOM 163 O LEU A 10 -6.507 -4.002 1.894 1.00 0.00 O ATOM 164 CB LEU A 10 -6.459 -1.630 4.362 1.00 0.00 C ATOM 165 CG LEU A 10 -6.774 -0.174 4.750 1.00 0.00 C ATOM 166 CD1 LEU A 10 -7.083 0.650 3.537 1.00 0.00 C ATOM 167 CD2 LEU A 10 -7.857 -0.053 5.821 1.00 0.00 C ATOM 0 H LEU A 10 -9.001 -2.076 4.790 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.497 -1.750 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.415 -2.216 5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.461 -1.648 3.924 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.871 0.229 5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.302 1.674 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.224 0.645 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.948 0.231 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.029 0.999 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.781 -0.502 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.534 -0.570 6.725 1.00 0.00 H new ATOM 179 N GLN A 11 -6.795 -4.543 4.030 1.00 0.00 N ATOM 180 CA GLN A 11 -6.278 -5.861 3.882 1.00 0.00 C ATOM 181 C GLN A 11 -7.309 -6.753 3.205 1.00 0.00 C ATOM 182 O GLN A 11 -6.954 -7.723 2.520 1.00 0.00 O ATOM 183 CB GLN A 11 -5.829 -6.428 5.227 1.00 0.00 C ATOM 184 CG GLN A 11 -5.097 -7.762 5.113 1.00 0.00 C ATOM 185 CD GLN A 11 -3.834 -7.684 4.271 1.00 0.00 C ATOM 186 OE1 GLN A 11 -3.463 -8.650 3.619 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.151 -6.562 4.315 1.00 0.00 N ATOM 0 H GLN A 11 -7.113 -4.322 4.974 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.395 -5.824 3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.176 -5.705 5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.701 -6.555 5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.838 -8.113 6.112 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.770 -8.502 4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.493 -5.778 4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.279 -6.475 3.794 1.00 0.00 H new ATOM 196 N GLU A 12 -8.596 -6.374 3.345 1.00 0.00 N ATOM 197 CA GLU A 12 -9.704 -7.209 2.861 1.00 0.00 C ATOM 198 C GLU A 12 -9.662 -7.229 1.351 1.00 0.00 C ATOM 199 O GLU A 12 -10.058 -8.202 0.687 1.00 0.00 O ATOM 200 CB GLU A 12 -11.061 -6.655 3.340 1.00 0.00 C ATOM 201 CG GLU A 12 -11.369 -6.797 4.845 1.00 0.00 C ATOM 202 CD GLU A 12 -10.323 -6.207 5.776 1.00 0.00 C ATOM 203 OE1 GLU A 12 -10.239 -4.977 5.919 1.00 0.00 O ATOM 204 OE2 GLU A 12 -9.577 -6.984 6.404 1.00 0.00 O ATOM 0 H GLU A 12 -8.888 -5.502 3.786 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.596 -8.218 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.109 -5.598 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.851 -7.157 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.327 -6.319 5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.485 -7.856 5.078 1.00 0.00 H new ATOM 211 N ILE A 13 -9.180 -6.145 0.838 1.00 0.00 N ATOM 212 CA ILE A 13 -8.970 -5.953 -0.538 1.00 0.00 C ATOM 213 C ILE A 13 -7.619 -6.490 -0.958 1.00 0.00 C ATOM 214 O ILE A 13 -7.551 -7.363 -1.811 1.00 0.00 O ATOM 215 CB ILE A 13 -9.047 -4.461 -0.870 1.00 0.00 C ATOM 216 CG1 ILE A 13 -10.473 -3.950 -0.782 1.00 0.00 C ATOM 217 CG2 ILE A 13 -8.457 -4.169 -2.199 1.00 0.00 C ATOM 218 CD1 ILE A 13 -11.431 -4.611 -1.718 1.00 0.00 C ATOM 0 H ILE A 13 -8.913 -5.339 1.403 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.745 -6.494 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.456 -3.931 -0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.831 -4.086 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.473 -2.878 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.529 -3.101 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.409 -4.470 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.999 -4.721 -2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.424 -4.182 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -11.103 -4.454 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.466 -5.680 -1.508 1.00 0.00 H new ATOM 230 N LEU A 14 -6.549 -5.974 -0.321 1.00 0.00 N ATOM 231 CA LEU A 14 -5.166 -6.277 -0.674 1.00 0.00 C ATOM 232 C LEU A 14 -4.876 -7.768 -0.866 1.00 0.00 C ATOM 233 O LEU A 14 -4.068 -8.133 -1.716 1.00 0.00 O ATOM 234 CB LEU A 14 -4.215 -5.660 0.355 1.00 0.00 C ATOM 235 CG LEU A 14 -2.722 -5.848 0.109 1.00 0.00 C ATOM 236 CD1 LEU A 14 -2.334 -5.299 -1.255 1.00 0.00 C ATOM 237 CD2 LEU A 14 -1.933 -5.154 1.194 1.00 0.00 C ATOM 0 H LEU A 14 -6.633 -5.327 0.463 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.996 -5.827 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.419 -4.591 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.454 -6.079 1.333 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.494 -6.914 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.265 -5.441 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.890 -5.826 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.569 -4.236 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.867 -5.292 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.167 -4.089 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.195 -5.579 2.163 1.00 0.00 H new ATOM 249 N GLU A 15 -5.556 -8.616 -0.122 1.00 0.00 N ATOM 250 CA GLU A 15 -5.317 -10.042 -0.196 1.00 0.00 C ATOM 251 C GLU A 15 -5.843 -10.674 -1.530 1.00 0.00 C ATOM 252 O GLU A 15 -5.560 -11.841 -1.829 1.00 0.00 O ATOM 253 CB GLU A 15 -5.878 -10.739 1.056 1.00 0.00 C ATOM 254 CG GLU A 15 -5.457 -12.194 1.213 1.00 0.00 C ATOM 255 CD GLU A 15 -5.961 -12.810 2.482 1.00 0.00 C ATOM 256 OE1 GLU A 15 -5.327 -12.615 3.544 1.00 0.00 O ATOM 257 OE2 GLU A 15 -7.006 -13.504 2.445 1.00 0.00 O ATOM 0 H GLU A 15 -6.280 -8.341 0.542 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.239 -10.202 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.558 -10.185 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.967 -10.690 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.827 -12.768 0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.369 -12.257 1.191 1.00 0.00 H new ATOM 264 N ASN A 16 -6.570 -9.903 -2.338 1.00 0.00 N ATOM 265 CA ASN A 16 -7.104 -10.402 -3.619 1.00 0.00 C ATOM 266 C ASN A 16 -6.975 -9.315 -4.674 1.00 0.00 C ATOM 267 O ASN A 16 -7.574 -8.268 -4.531 1.00 0.00 O ATOM 268 CB ASN A 16 -8.602 -10.759 -3.501 1.00 0.00 C ATOM 269 CG ASN A 16 -8.925 -11.739 -2.400 1.00 0.00 C ATOM 270 OD1 ASN A 16 -9.279 -11.225 -1.249 1.00 0.00 O flip ATOM 271 ND2 ASN A 16 -8.887 -12.949 -2.598 1.00 0.00 N flip ATOM 0 H ASN A 16 -6.806 -8.932 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.537 -11.293 -3.891 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.169 -9.843 -3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.940 -11.174 -4.451 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.605 -13.308 -3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.137 -13.596 -1.850 1.00 0.00 H new ATOM 278 N LYS A 17 -6.249 -9.567 -5.758 1.00 0.00 N ATOM 279 CA LYS A 17 -6.050 -8.522 -6.784 1.00 0.00 C ATOM 280 C LYS A 17 -7.336 -8.076 -7.486 1.00 0.00 C ATOM 281 O LYS A 17 -7.427 -6.946 -7.921 1.00 0.00 O ATOM 282 CB LYS A 17 -4.927 -8.795 -7.814 1.00 0.00 C ATOM 283 CG LYS A 17 -5.058 -10.043 -8.674 1.00 0.00 C ATOM 284 CD LYS A 17 -4.600 -11.280 -7.925 1.00 0.00 C ATOM 285 CE LYS A 17 -4.555 -12.494 -8.826 1.00 0.00 C ATOM 286 NZ LYS A 17 -3.905 -13.640 -8.162 1.00 0.00 N ATOM 0 H LYS A 17 -5.795 -10.458 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.699 -7.687 -6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.861 -7.933 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.982 -8.855 -7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.096 -10.166 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.466 -9.925 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.611 -11.104 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.275 -11.471 -7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.569 -12.769 -9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.015 -12.249 -9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.892 -14.454 -8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.930 -13.385 -7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.435 -13.889 -7.302 1.00 0.00 H new ATOM 300 N ARG A 18 -8.339 -8.934 -7.576 1.00 0.00 N ATOM 301 CA ARG A 18 -9.603 -8.498 -8.186 1.00 0.00 C ATOM 302 C ARG A 18 -10.328 -7.530 -7.241 1.00 0.00 C ATOM 303 O ARG A 18 -10.941 -6.530 -7.663 1.00 0.00 O ATOM 304 CB ARG A 18 -10.492 -9.684 -8.616 1.00 0.00 C ATOM 305 CG ARG A 18 -10.912 -10.620 -7.500 1.00 0.00 C ATOM 306 CD ARG A 18 -11.675 -11.817 -8.039 1.00 0.00 C ATOM 307 NE ARG A 18 -11.878 -12.829 -7.000 1.00 0.00 N ATOM 308 CZ ARG A 18 -12.922 -13.664 -6.902 1.00 0.00 C ATOM 309 NH1 ARG A 18 -13.885 -13.667 -7.819 1.00 0.00 N ATOM 310 NH2 ARG A 18 -12.972 -14.516 -5.892 1.00 0.00 N ATOM 0 H ARG A 18 -8.317 -9.901 -7.251 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.372 -7.965 -9.108 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.389 -9.289 -9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.958 -10.262 -9.370 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.030 -10.962 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.535 -10.081 -6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.640 -11.491 -8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.128 -12.254 -8.874 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.157 -12.906 -6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.836 -13.027 -8.612 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.673 -14.309 -7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.222 -14.532 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.760 -15.157 -5.804 1.00 0.00 H new ATOM 324 N LEU A 19 -10.188 -7.776 -5.958 1.00 0.00 N ATOM 325 CA LEU A 19 -10.739 -6.886 -4.984 1.00 0.00 C ATOM 326 C LEU A 19 -9.870 -5.642 -4.905 1.00 0.00 C ATOM 327 O LEU A 19 -10.346 -4.553 -4.611 1.00 0.00 O ATOM 328 CB LEU A 19 -10.888 -7.556 -3.617 1.00 0.00 C ATOM 329 CG LEU A 19 -11.893 -8.717 -3.532 1.00 0.00 C ATOM 330 CD1 LEU A 19 -12.017 -9.208 -2.100 1.00 0.00 C ATOM 331 CD2 LEU A 19 -13.263 -8.303 -4.068 1.00 0.00 C ATOM 0 H LEU A 19 -9.698 -8.584 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.745 -6.603 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.910 -7.927 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.182 -6.795 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.517 -9.530 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.732 -10.030 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.045 -9.554 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.363 -8.393 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.952 -9.145 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.646 -7.468 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.169 -8.000 -5.111 1.00 0.00 H new ATOM 343 N LEU A 20 -8.593 -5.811 -5.228 1.00 0.00 N ATOM 344 CA LEU A 20 -7.644 -4.712 -5.267 1.00 0.00 C ATOM 345 C LEU A 20 -8.095 -3.752 -6.324 1.00 0.00 C ATOM 346 O LEU A 20 -8.144 -2.552 -6.107 1.00 0.00 O ATOM 347 CB LEU A 20 -6.244 -5.223 -5.566 1.00 0.00 C ATOM 348 CG LEU A 20 -5.111 -4.269 -5.268 1.00 0.00 C ATOM 349 CD1 LEU A 20 -5.008 -4.075 -3.777 1.00 0.00 C ATOM 350 CD2 LEU A 20 -3.817 -4.817 -5.805 1.00 0.00 C ATOM 0 H LEU A 20 -8.189 -6.716 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.607 -4.213 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.083 -6.137 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.196 -5.494 -6.621 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.308 -3.311 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.192 -3.387 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.943 -3.663 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.814 -5.035 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.008 -4.121 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.607 -5.778 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.898 -4.949 -6.884 1.00 0.00 H new ATOM 362 N GLU A 21 -8.489 -4.324 -7.443 1.00 0.00 N ATOM 363 CA GLU A 21 -9.089 -3.618 -8.541 1.00 0.00 C ATOM 364 C GLU A 21 -10.327 -2.832 -8.105 1.00 0.00 C ATOM 365 O GLU A 21 -10.619 -1.764 -8.659 1.00 0.00 O ATOM 366 CB GLU A 21 -9.429 -4.604 -9.641 1.00 0.00 C ATOM 367 CG GLU A 21 -8.224 -5.041 -10.433 1.00 0.00 C ATOM 368 CD GLU A 21 -7.648 -3.881 -11.187 1.00 0.00 C ATOM 369 OE1 GLU A 21 -8.344 -3.346 -12.091 1.00 0.00 O ATOM 370 OE2 GLU A 21 -6.542 -3.446 -10.885 1.00 0.00 O ATOM 0 H GLU A 21 -8.395 -5.325 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.373 -2.888 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.905 -5.480 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.156 -4.151 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.472 -5.458 -9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.505 -5.832 -11.128 1.00 0.00 H new ATOM 377 N SER A 22 -11.047 -3.354 -7.131 1.00 0.00 N ATOM 378 CA SER A 22 -12.189 -2.651 -6.577 1.00 0.00 C ATOM 379 C SER A 22 -11.770 -1.327 -5.836 1.00 0.00 C ATOM 380 O SER A 22 -12.226 -0.238 -6.217 1.00 0.00 O ATOM 381 CB SER A 22 -12.983 -3.577 -5.665 1.00 0.00 C ATOM 382 OG SER A 22 -13.275 -4.798 -6.333 1.00 0.00 O ATOM 0 H SER A 22 -10.862 -4.263 -6.706 1.00 0.00 H new ATOM 0 HA SER A 22 -12.830 -2.348 -7.405 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.415 -3.779 -4.757 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.910 -3.091 -5.360 1.00 0.00 H new ATOM 0 HG SER A 22 -13.784 -5.384 -5.735 1.00 0.00 H new ATOM 388 N TYR A 23 -10.858 -1.389 -4.813 1.00 0.00 N ATOM 389 CA TYR A 23 -10.493 -0.120 -4.109 1.00 0.00 C ATOM 390 C TYR A 23 -9.359 0.608 -4.846 1.00 0.00 C ATOM 391 O TYR A 23 -8.796 1.607 -4.373 1.00 0.00 O ATOM 392 CB TYR A 23 -10.217 -0.248 -2.538 1.00 0.00 C ATOM 393 CG TYR A 23 -8.802 -0.591 -2.027 1.00 0.00 C ATOM 394 CD1 TYR A 23 -7.776 -1.063 -2.837 1.00 0.00 C ATOM 395 CD2 TYR A 23 -8.523 -0.408 -0.685 1.00 0.00 C ATOM 396 CE1 TYR A 23 -6.529 -1.335 -2.312 1.00 0.00 C ATOM 397 CE2 TYR A 23 -7.289 -0.671 -0.147 1.00 0.00 C ATOM 398 CZ TYR A 23 -6.291 -1.140 -0.972 1.00 0.00 C ATOM 399 OH TYR A 23 -5.062 -1.425 -0.462 1.00 0.00 O ATOM 0 H TYR A 23 -10.395 -2.234 -4.479 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.393 0.493 -4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.506 0.698 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.894 -1.009 -2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.957 -1.219 -3.890 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.306 -0.044 -0.036 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.741 -1.701 -2.953 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.103 -0.513 0.905 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.381 -1.287 -1.153 1.00 0.00 H new ATOM 409 N MET A 24 -9.059 0.124 -6.025 1.00 0.00 N ATOM 410 CA MET A 24 -8.054 0.701 -6.891 1.00 0.00 C ATOM 411 C MET A 24 -8.435 2.139 -7.237 1.00 0.00 C ATOM 412 O MET A 24 -7.626 2.909 -7.696 1.00 0.00 O ATOM 413 CB MET A 24 -7.834 -0.159 -8.133 1.00 0.00 C ATOM 414 CG MET A 24 -6.510 0.083 -8.840 1.00 0.00 C ATOM 415 SD MET A 24 -5.102 -0.096 -7.724 1.00 0.00 S ATOM 416 CE MET A 24 -3.739 -0.075 -8.886 1.00 0.00 C ATOM 0 H MET A 24 -9.514 -0.699 -6.420 1.00 0.00 H new ATOM 0 HA MET A 24 -7.100 0.726 -6.364 1.00 0.00 H new ATOM 0 HB2 MET A 24 -7.892 -1.209 -7.847 1.00 0.00 H new ATOM 0 HB3 MET A 24 -8.646 0.026 -8.836 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.408 -0.619 -9.668 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.507 1.085 -9.270 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.225 -1.036 -8.861 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.120 0.107 -9.891 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.041 0.717 -8.614 1.00 0.00 H new ATOM 426 N ASP A 25 -9.718 2.457 -7.081 1.00 0.00 N ATOM 427 CA ASP A 25 -10.224 3.836 -7.206 1.00 0.00 C ATOM 428 C ASP A 25 -9.488 4.777 -6.311 1.00 0.00 C ATOM 429 O ASP A 25 -9.002 5.792 -6.729 1.00 0.00 O ATOM 430 CB ASP A 25 -11.665 3.909 -6.808 1.00 0.00 C ATOM 431 CG ASP A 25 -12.149 5.336 -6.613 1.00 0.00 C ATOM 432 OD1 ASP A 25 -12.009 6.166 -7.531 1.00 0.00 O ATOM 433 OD2 ASP A 25 -12.616 5.647 -5.518 1.00 0.00 O ATOM 0 H ASP A 25 -10.442 1.772 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.085 4.117 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.273 3.425 -7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.811 3.351 -5.883 1.00 0.00 H new ATOM 438 N CYS A 26 -9.423 4.446 -5.094 1.00 0.00 N ATOM 439 CA CYS A 26 -8.831 5.305 -4.161 1.00 0.00 C ATOM 440 C CYS A 26 -7.320 5.245 -4.186 1.00 0.00 C ATOM 441 O CYS A 26 -6.659 6.208 -3.808 1.00 0.00 O ATOM 442 CB CYS A 26 -9.469 5.138 -2.797 1.00 0.00 C ATOM 443 SG CYS A 26 -9.872 3.415 -2.384 1.00 0.00 S ATOM 0 H CYS A 26 -9.779 3.570 -4.711 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.040 6.334 -4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -8.794 5.535 -2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.380 5.735 -2.757 1.00 0.00 H new ATOM 448 N VAL A 27 -6.764 4.113 -4.597 1.00 0.00 N ATOM 449 CA VAL A 27 -5.321 4.040 -4.728 1.00 0.00 C ATOM 450 C VAL A 27 -4.824 4.670 -6.069 1.00 0.00 C ATOM 451 O VAL A 27 -3.997 5.579 -6.064 1.00 0.00 O ATOM 452 CB VAL A 27 -4.818 2.574 -4.608 1.00 0.00 C ATOM 453 CG1 VAL A 27 -3.297 2.498 -4.720 1.00 0.00 C ATOM 454 CG2 VAL A 27 -5.282 1.959 -3.295 1.00 0.00 C ATOM 0 H VAL A 27 -7.272 3.262 -4.837 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.901 4.622 -3.907 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.245 2.006 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.977 1.460 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.983 2.894 -5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.844 3.086 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.922 0.933 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.886 2.539 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.371 1.964 -3.256 1.00 0.00 H new ATOM 464 N LEU A 28 -5.334 4.191 -7.207 1.00 0.00 N ATOM 465 CA LEU A 28 -4.900 4.705 -8.511 1.00 0.00 C ATOM 466 C LEU A 28 -5.949 5.626 -9.170 1.00 0.00 C ATOM 467 O LEU A 28 -5.607 6.620 -9.812 1.00 0.00 O ATOM 468 CB LEU A 28 -4.551 3.532 -9.430 1.00 0.00 C ATOM 469 CG LEU A 28 -3.960 3.875 -10.798 1.00 0.00 C ATOM 470 CD1 LEU A 28 -2.632 4.602 -10.646 1.00 0.00 C ATOM 471 CD2 LEU A 28 -3.787 2.616 -11.628 1.00 0.00 C ATOM 0 H LEU A 28 -6.040 3.456 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.016 5.321 -8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.843 2.890 -8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.456 2.945 -9.589 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.653 4.540 -11.315 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.230 4.836 -11.632 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.785 5.526 -10.088 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.928 3.966 -10.109 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.365 2.875 -12.599 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.115 1.930 -11.112 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.756 2.137 -11.769 1.00 0.00 H new ATOM 483 N GLY A 29 -7.211 5.305 -8.963 1.00 0.00 N ATOM 484 CA GLY A 29 -8.298 6.069 -9.568 1.00 0.00 C ATOM 485 C GLY A 29 -9.151 5.250 -10.533 1.00 0.00 C ATOM 486 O GLY A 29 -9.568 5.757 -11.566 1.00 0.00 O ATOM 0 H GLY A 29 -7.514 4.523 -8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.936 6.467 -8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.879 6.923 -10.100 1.00 0.00 H new ATOM 490 N LYS A 30 -9.416 3.984 -10.205 1.00 0.00 N ATOM 491 CA LYS A 30 -10.197 3.120 -11.102 1.00 0.00 C ATOM 492 C LYS A 30 -11.690 2.901 -10.680 1.00 0.00 C ATOM 493 O LYS A 30 -12.596 3.413 -11.339 1.00 0.00 O ATOM 494 CB LYS A 30 -9.503 1.772 -11.305 1.00 0.00 C ATOM 495 CG LYS A 30 -8.072 1.875 -11.834 1.00 0.00 C ATOM 496 CD LYS A 30 -7.506 0.506 -12.228 1.00 0.00 C ATOM 497 CE LYS A 30 -8.232 -0.085 -13.437 1.00 0.00 C ATOM 498 NZ LYS A 30 -7.713 -1.417 -13.801 1.00 0.00 N ATOM 0 H LYS A 30 -9.109 3.537 -9.341 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.238 3.667 -12.044 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.489 1.237 -10.356 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.093 1.174 -12.000 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.052 2.538 -12.699 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.435 2.325 -11.072 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.444 0.604 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.590 -0.178 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.297 -0.159 -13.219 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.127 0.589 -14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.222 -1.772 -14.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.698 -1.347 -14.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.852 -2.073 -13.006 1.00 0.00 H new ATOM 512 N GLY A 31 -11.923 2.130 -9.598 1.00 0.00 N ATOM 513 CA GLY A 31 -13.301 1.736 -9.178 1.00 0.00 C ATOM 514 C GLY A 31 -14.110 2.833 -8.465 1.00 0.00 C ATOM 515 O GLY A 31 -14.349 3.906 -9.041 1.00 0.00 O ATOM 0 H GLY A 31 -11.185 1.765 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.854 1.415 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.228 0.873 -8.516 1.00 0.00 H new ATOM 519 N LYS A 32 -14.516 2.575 -7.195 1.00 0.00 N ATOM 520 CA LYS A 32 -15.309 3.559 -6.427 1.00 0.00 C ATOM 521 C LYS A 32 -15.268 3.374 -4.881 1.00 0.00 C ATOM 522 O LYS A 32 -16.030 2.595 -4.299 1.00 0.00 O ATOM 523 CB LYS A 32 -16.756 3.618 -6.932 1.00 0.00 C ATOM 524 CG LYS A 32 -17.454 2.265 -7.000 1.00 0.00 C ATOM 525 CD LYS A 32 -18.862 2.396 -7.531 1.00 0.00 C ATOM 526 CE LYS A 32 -19.779 3.122 -6.561 1.00 0.00 C ATOM 527 NZ LYS A 32 -21.169 3.216 -7.054 1.00 0.00 N ATOM 0 H LYS A 32 -14.311 1.711 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 32 -14.820 4.516 -6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.329 4.277 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -16.764 4.068 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.884 1.592 -7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.479 1.816 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -18.842 2.933 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.265 1.404 -7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.772 2.603 -5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.392 4.125 -6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -21.752 3.720 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -21.183 3.735 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -21.551 2.260 -7.199 1.00 0.00 H new ATOM 541 N CYS A 33 -14.378 4.084 -4.245 1.00 0.00 N ATOM 542 CA CYS A 33 -14.291 4.116 -2.780 1.00 0.00 C ATOM 543 C CYS A 33 -14.947 5.409 -2.290 1.00 0.00 C ATOM 544 O CYS A 33 -15.382 6.237 -3.104 1.00 0.00 O ATOM 545 CB CYS A 33 -12.818 4.112 -2.285 1.00 0.00 C ATOM 546 SG CYS A 33 -11.688 3.028 -3.207 1.00 0.00 S ATOM 0 H CYS A 33 -13.683 4.665 -4.714 1.00 0.00 H new ATOM 0 HA CYS A 33 -14.789 3.228 -2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.435 5.131 -2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.806 3.814 -1.237 1.00 0.00 H new ATOM 551 N THR A 34 -15.014 5.588 -0.988 1.00 0.00 N ATOM 552 CA THR A 34 -15.537 6.788 -0.401 1.00 0.00 C ATOM 553 C THR A 34 -14.410 7.834 -0.281 1.00 0.00 C ATOM 554 O THR A 34 -13.219 7.466 -0.346 1.00 0.00 O ATOM 555 CB THR A 34 -16.081 6.457 0.994 1.00 0.00 C ATOM 556 OG1 THR A 34 -15.087 5.707 1.719 1.00 0.00 O ATOM 557 CG2 THR A 34 -17.358 5.645 0.904 1.00 0.00 C ATOM 0 H THR A 34 -14.703 4.895 -0.308 1.00 0.00 H new ATOM 0 HA THR A 34 -16.335 7.191 -1.024 1.00 0.00 H new ATOM 0 HB THR A 34 -16.306 7.390 1.511 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.427 5.493 2.613 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.721 5.425 1.908 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.113 6.214 0.362 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.159 4.712 0.377 1.00 0.00 H new ATOM 565 N PRO A 35 -14.744 9.138 -0.131 1.00 0.00 N ATOM 566 CA PRO A 35 -13.747 10.214 0.037 1.00 0.00 C ATOM 567 C PRO A 35 -12.813 9.983 1.242 1.00 0.00 C ATOM 568 O PRO A 35 -11.606 10.283 1.181 1.00 0.00 O ATOM 569 CB PRO A 35 -14.590 11.481 0.248 1.00 0.00 C ATOM 570 CG PRO A 35 -15.977 11.000 0.517 1.00 0.00 C ATOM 571 CD PRO A 35 -16.111 9.683 -0.182 1.00 0.00 C ATOM 0 HA PRO A 35 -13.084 10.272 -0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.210 12.070 1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.561 12.122 -0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.149 10.891 1.588 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.714 11.713 0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -16.824 9.030 0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.459 9.805 -1.208 1.00 0.00 H new ATOM 579 N GLU A 36 -13.350 9.432 2.320 1.00 0.00 N ATOM 580 CA GLU A 36 -12.536 9.133 3.479 1.00 0.00 C ATOM 581 C GLU A 36 -11.607 7.970 3.153 1.00 0.00 C ATOM 582 O GLU A 36 -10.434 7.964 3.544 1.00 0.00 O ATOM 583 CB GLU A 36 -13.404 8.832 4.699 1.00 0.00 C ATOM 584 CG GLU A 36 -12.620 8.588 5.967 1.00 0.00 C ATOM 585 CD GLU A 36 -13.502 8.432 7.168 1.00 0.00 C ATOM 586 OE1 GLU A 36 -14.031 7.344 7.395 1.00 0.00 O ATOM 587 OE2 GLU A 36 -13.652 9.396 7.943 1.00 0.00 O ATOM 0 H GLU A 36 -14.336 9.186 2.413 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.933 10.006 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.086 9.666 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.017 7.955 4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.013 7.691 5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.933 9.418 6.131 1.00 0.00 H new ATOM 594 N GLY A 37 -12.128 7.010 2.381 1.00 0.00 N ATOM 595 CA GLY A 37 -11.331 5.892 1.931 1.00 0.00 C ATOM 596 C GLY A 37 -10.193 6.366 1.042 1.00 0.00 C ATOM 597 O GLY A 37 -9.092 5.839 1.101 1.00 0.00 O ATOM 0 H GLY A 37 -13.097 6.996 2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.928 5.357 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.958 5.189 1.383 1.00 0.00 H new ATOM 601 N LYS A 38 -10.492 7.360 0.221 1.00 0.00 N ATOM 602 CA LYS A 38 -9.501 8.050 -0.633 1.00 0.00 C ATOM 603 C LYS A 38 -8.322 8.544 0.197 1.00 0.00 C ATOM 604 O LYS A 38 -7.166 8.290 -0.134 1.00 0.00 O ATOM 605 CB LYS A 38 -10.141 9.271 -1.332 1.00 0.00 C ATOM 606 CG LYS A 38 -11.080 8.973 -2.493 1.00 0.00 C ATOM 607 CD LYS A 38 -10.306 8.679 -3.770 1.00 0.00 C ATOM 608 CE LYS A 38 -11.245 8.375 -4.929 1.00 0.00 C ATOM 609 NZ LYS A 38 -10.535 8.126 -6.204 1.00 0.00 N ATOM 0 H LYS A 38 -11.439 7.725 0.118 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.156 7.331 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.692 9.842 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.340 9.914 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.711 8.120 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.743 9.823 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.679 9.534 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.640 7.832 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.848 7.502 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.932 9.211 -5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.165 7.622 -6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.251 9.033 -6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.690 7.548 -6.023 1.00 0.00 H new ATOM 623 N GLU A 39 -8.633 9.180 1.310 1.00 0.00 N ATOM 624 CA GLU A 39 -7.634 9.832 2.139 1.00 0.00 C ATOM 625 C GLU A 39 -6.816 8.765 2.840 1.00 0.00 C ATOM 626 O GLU A 39 -5.580 8.734 2.758 1.00 0.00 O ATOM 627 CB GLU A 39 -8.349 10.689 3.181 1.00 0.00 C ATOM 628 CG GLU A 39 -7.441 11.529 4.052 1.00 0.00 C ATOM 629 CD GLU A 39 -6.840 12.699 3.321 1.00 0.00 C ATOM 630 OE1 GLU A 39 -7.534 13.703 3.143 1.00 0.00 O ATOM 631 OE2 GLU A 39 -5.645 12.659 2.952 1.00 0.00 O ATOM 0 H GLU A 39 -9.585 9.260 1.666 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.981 10.458 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.048 11.350 2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.940 10.036 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.006 11.895 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.640 10.902 4.443 1.00 0.00 H new ATOM 638 N LEU A 40 -7.544 7.875 3.475 1.00 0.00 N ATOM 639 CA LEU A 40 -7.017 6.767 4.233 1.00 0.00 C ATOM 640 C LEU A 40 -5.971 5.958 3.453 1.00 0.00 C ATOM 641 O LEU A 40 -4.820 5.854 3.866 1.00 0.00 O ATOM 642 CB LEU A 40 -8.205 5.854 4.578 1.00 0.00 C ATOM 643 CG LEU A 40 -7.873 4.409 4.877 1.00 0.00 C ATOM 644 CD1 LEU A 40 -7.150 4.230 6.206 1.00 0.00 C ATOM 645 CD2 LEU A 40 -9.086 3.507 4.747 1.00 0.00 C ATOM 0 H LEU A 40 -8.564 7.906 3.476 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.516 7.154 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.719 6.273 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.909 5.879 3.746 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.165 4.093 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.938 3.173 6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.214 4.789 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.779 4.600 7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.801 2.479 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.856 3.830 5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.474 3.563 3.730 1.00 0.00 H new ATOM 657 N LYS A 41 -6.360 5.469 2.302 1.00 0.00 N ATOM 658 CA LYS A 41 -5.535 4.550 1.543 1.00 0.00 C ATOM 659 C LYS A 41 -4.397 5.249 0.871 1.00 0.00 C ATOM 660 O LYS A 41 -3.352 4.653 0.642 1.00 0.00 O ATOM 661 CB LYS A 41 -6.404 3.821 0.570 1.00 0.00 C ATOM 662 CG LYS A 41 -7.537 3.125 1.285 1.00 0.00 C ATOM 663 CD LYS A 41 -8.606 2.741 0.347 1.00 0.00 C ATOM 664 CE LYS A 41 -9.910 2.450 1.051 1.00 0.00 C ATOM 665 NZ LYS A 41 -10.984 2.068 0.087 1.00 0.00 N ATOM 0 H LYS A 41 -7.253 5.693 1.862 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.078 3.829 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.805 4.521 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.810 3.090 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.159 2.237 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.943 3.782 2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.757 3.543 -0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.294 1.860 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.763 1.644 1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.223 3.328 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.889 2.478 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.745 2.428 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.067 1.032 0.052 1.00 0.00 H new ATOM 679 N ASP A 42 -4.592 6.522 0.573 1.00 0.00 N ATOM 680 CA ASP A 42 -3.536 7.332 0.005 1.00 0.00 C ATOM 681 C ASP A 42 -2.361 7.377 0.965 1.00 0.00 C ATOM 682 O ASP A 42 -1.241 7.098 0.588 1.00 0.00 O ATOM 683 CB ASP A 42 -4.041 8.751 -0.282 1.00 0.00 C ATOM 684 CG ASP A 42 -2.952 9.701 -0.730 1.00 0.00 C ATOM 685 OD1 ASP A 42 -2.628 9.743 -1.935 1.00 0.00 O ATOM 686 OD2 ASP A 42 -2.424 10.447 0.112 1.00 0.00 O ATOM 0 H ASP A 42 -5.474 7.014 0.716 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.215 6.887 -0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.811 8.705 -1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.512 9.149 0.617 1.00 0.00 H new ATOM 691 N HIS A 43 -2.654 7.654 2.227 1.00 0.00 N ATOM 692 CA HIS A 43 -1.614 7.776 3.254 1.00 0.00 C ATOM 693 C HIS A 43 -1.129 6.415 3.749 1.00 0.00 C ATOM 694 O HIS A 43 0.053 6.227 3.964 1.00 0.00 O ATOM 695 CB HIS A 43 -2.073 8.637 4.446 1.00 0.00 C ATOM 696 CG HIS A 43 -2.350 10.078 4.113 1.00 0.00 C ATOM 697 ND1 HIS A 43 -1.766 11.140 4.769 1.00 0.00 N ATOM 698 CD2 HIS A 43 -3.199 10.623 3.224 1.00 0.00 C ATOM 699 CE1 HIS A 43 -2.254 12.266 4.290 1.00 0.00 C ATOM 700 NE2 HIS A 43 -3.129 11.975 3.351 1.00 0.00 N ATOM 0 H HIS A 43 -3.603 7.800 2.571 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.777 8.280 2.771 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.976 8.196 4.868 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.307 8.598 5.221 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.826 10.082 2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.982 13.260 4.613 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -3.666 12.652 2.808 1.00 0.00 H new ATOM 709 N LEU A 44 -2.039 5.475 3.912 1.00 0.00 N ATOM 710 CA LEU A 44 -1.706 4.150 4.447 1.00 0.00 C ATOM 711 C LEU A 44 -0.862 3.346 3.436 1.00 0.00 C ATOM 712 O LEU A 44 0.225 2.820 3.769 1.00 0.00 O ATOM 713 CB LEU A 44 -3.013 3.433 4.875 1.00 0.00 C ATOM 714 CG LEU A 44 -2.909 2.098 5.632 1.00 0.00 C ATOM 715 CD1 LEU A 44 -4.185 1.869 6.416 1.00 0.00 C ATOM 716 CD2 LEU A 44 -2.709 0.933 4.677 1.00 0.00 C ATOM 0 H LEU A 44 -3.025 5.597 3.682 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.082 4.246 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.580 4.124 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.604 3.258 3.976 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.049 2.153 6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.116 0.924 6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.326 2.683 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.032 1.836 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.639 0.005 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.554 0.876 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.790 1.081 4.110 1.00 0.00 H new ATOM 728 N GLN A 45 -1.316 3.282 2.205 1.00 0.00 N ATOM 729 CA GLN A 45 -0.540 2.635 1.177 1.00 0.00 C ATOM 730 C GLN A 45 0.738 3.436 0.856 1.00 0.00 C ATOM 731 O GLN A 45 1.713 2.879 0.381 1.00 0.00 O ATOM 732 CB GLN A 45 -1.366 2.240 -0.070 1.00 0.00 C ATOM 733 CG GLN A 45 -2.025 0.824 -0.012 1.00 0.00 C ATOM 734 CD GLN A 45 -3.024 0.580 1.142 1.00 0.00 C ATOM 735 OE1 GLN A 45 -3.688 1.497 1.617 1.00 0.00 O ATOM 736 NE2 GLN A 45 -3.156 -0.689 1.565 1.00 0.00 N ATOM 0 H GLN A 45 -2.209 3.666 1.895 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.213 1.677 1.581 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.151 2.982 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.717 2.285 -0.945 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.542 0.649 -0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.232 0.080 0.059 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.588 -1.427 1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.824 -0.914 2.302 1.00 0.00 H new ATOM 745 N GLU A 46 0.730 4.749 1.117 1.00 0.00 N ATOM 746 CA GLU A 46 1.962 5.534 1.011 1.00 0.00 C ATOM 747 C GLU A 46 2.917 5.172 2.167 1.00 0.00 C ATOM 748 O GLU A 46 4.112 5.193 2.004 1.00 0.00 O ATOM 749 CB GLU A 46 1.681 7.037 1.014 1.00 0.00 C ATOM 750 CG GLU A 46 2.917 7.917 0.908 1.00 0.00 C ATOM 751 CD GLU A 46 3.687 7.731 -0.374 1.00 0.00 C ATOM 752 OE1 GLU A 46 4.569 6.868 -0.438 1.00 0.00 O ATOM 753 OE2 GLU A 46 3.431 8.491 -1.339 1.00 0.00 O ATOM 0 H GLU A 46 -0.096 5.279 1.397 1.00 0.00 H new ATOM 0 HA GLU A 46 2.431 5.288 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.014 7.269 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.149 7.291 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.617 8.961 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.576 7.706 1.751 1.00 0.00 H new ATOM 760 N ALA A 47 2.374 4.825 3.333 1.00 0.00 N ATOM 761 CA ALA A 47 3.196 4.397 4.478 1.00 0.00 C ATOM 762 C ALA A 47 3.978 3.141 4.113 1.00 0.00 C ATOM 763 O ALA A 47 5.064 2.894 4.627 1.00 0.00 O ATOM 764 CB ALA A 47 2.337 4.165 5.710 1.00 0.00 C ATOM 0 H ALA A 47 1.370 4.830 3.516 1.00 0.00 H new ATOM 0 HA ALA A 47 3.903 5.192 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.969 3.850 6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.824 5.089 5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.601 3.389 5.500 1.00 0.00 H new ATOM 770 N LEU A 48 3.395 2.359 3.221 1.00 0.00 N ATOM 771 CA LEU A 48 4.072 1.217 2.595 1.00 0.00 C ATOM 772 C LEU A 48 5.325 1.677 1.800 1.00 0.00 C ATOM 773 O LEU A 48 6.347 0.982 1.766 1.00 0.00 O ATOM 774 CB LEU A 48 3.077 0.503 1.667 1.00 0.00 C ATOM 775 CG LEU A 48 3.637 -0.415 0.570 1.00 0.00 C ATOM 776 CD1 LEU A 48 4.363 -1.609 1.133 1.00 0.00 C ATOM 777 CD2 LEU A 48 2.529 -0.856 -0.343 1.00 0.00 C ATOM 0 H LEU A 48 2.435 2.492 2.904 1.00 0.00 H new ATOM 0 HA LEU A 48 4.412 0.531 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.409 -0.092 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.467 1.266 1.183 1.00 0.00 H new ATOM 0 HG LEU A 48 4.369 0.161 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.739 -2.225 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.198 -1.271 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.678 -2.196 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.934 -1.507 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.779 -1.399 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.069 0.017 -0.806 1.00 0.00 H new ATOM 789 N GLU A 49 5.242 2.835 1.185 1.00 0.00 N ATOM 790 CA GLU A 49 6.342 3.346 0.413 1.00 0.00 C ATOM 791 C GLU A 49 7.102 4.471 1.145 1.00 0.00 C ATOM 792 O GLU A 49 7.949 4.180 1.979 1.00 0.00 O ATOM 793 CB GLU A 49 5.936 3.685 -1.057 1.00 0.00 C ATOM 794 CG GLU A 49 7.002 4.412 -1.909 1.00 0.00 C ATOM 795 CD GLU A 49 8.368 3.738 -1.961 1.00 0.00 C ATOM 796 OE1 GLU A 49 9.052 3.665 -0.921 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.817 3.353 -3.050 1.00 0.00 O ATOM 0 H GLU A 49 4.420 3.439 1.207 1.00 0.00 H new ATOM 0 HA GLU A 49 7.069 2.539 0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.669 2.756 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.038 4.303 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.625 4.509 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.128 5.422 -1.518 1.00 0.00 H new ATOM 804 N THR A 50 6.779 5.725 0.915 1.00 0.00 N ATOM 805 CA THR A 50 7.595 6.791 1.478 1.00 0.00 C ATOM 806 C THR A 50 6.716 7.807 2.234 1.00 0.00 C ATOM 807 O THR A 50 7.016 9.007 2.319 1.00 0.00 O ATOM 808 CB THR A 50 8.432 7.484 0.355 1.00 0.00 C ATOM 809 OG1 THR A 50 9.033 6.475 -0.481 1.00 0.00 O ATOM 810 CG2 THR A 50 9.577 8.300 0.954 1.00 0.00 C ATOM 0 H THR A 50 5.981 6.032 0.359 1.00 0.00 H new ATOM 0 HA THR A 50 8.291 6.358 2.197 1.00 0.00 H new ATOM 0 HB THR A 50 7.762 8.132 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.558 6.906 -1.188 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.145 8.773 0.153 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.171 9.068 1.613 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.233 7.642 1.524 1.00 0.00 H new ATOM 818 N GLY A 51 5.650 7.319 2.789 1.00 0.00 N ATOM 819 CA GLY A 51 4.804 8.144 3.590 1.00 0.00 C ATOM 820 C GLY A 51 5.275 8.195 4.993 1.00 0.00 C ATOM 821 O GLY A 51 6.399 8.641 5.278 1.00 0.00 O ATOM 0 H GLY A 51 5.345 6.350 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.778 9.152 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.784 7.760 3.560 1.00 0.00 H new ATOM 825 N CYS A 52 4.461 7.728 5.867 1.00 0.00 N ATOM 826 CA CYS A 52 4.797 7.748 7.245 1.00 0.00 C ATOM 827 C CYS A 52 4.207 6.561 7.968 1.00 0.00 C ATOM 828 O CYS A 52 2.995 6.509 8.231 1.00 0.00 O ATOM 829 CB CYS A 52 4.362 9.063 7.895 1.00 0.00 C ATOM 830 SG CYS A 52 4.792 9.220 9.662 1.00 0.00 S ATOM 0 H CYS A 52 3.550 7.324 5.652 1.00 0.00 H new ATOM 0 HA CYS A 52 5.882 7.678 7.326 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.817 9.890 7.350 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.282 9.166 7.787 1.00 0.00 H new ATOM 835 N GLU A 53 5.049 5.589 8.232 1.00 0.00 N ATOM 836 CA GLU A 53 4.671 4.426 8.994 1.00 0.00 C ATOM 837 C GLU A 53 4.432 4.835 10.435 1.00 0.00 C ATOM 838 O GLU A 53 3.309 4.838 10.899 1.00 0.00 O ATOM 839 CB GLU A 53 5.788 3.376 8.946 1.00 0.00 C ATOM 840 CG GLU A 53 5.502 2.145 9.788 1.00 0.00 C ATOM 841 CD GLU A 53 6.676 1.217 9.879 1.00 0.00 C ATOM 842 OE1 GLU A 53 7.505 1.368 10.800 1.00 0.00 O ATOM 843 OE2 GLU A 53 6.784 0.292 9.072 1.00 0.00 O ATOM 0 H GLU A 53 6.021 5.585 7.921 1.00 0.00 H new ATOM 0 HA GLU A 53 3.763 3.998 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.943 3.070 7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.718 3.831 9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.212 2.456 10.792 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.653 1.609 9.363 1.00 0.00 H new ATOM 850 N LYS A 54 5.501 5.329 11.063 1.00 0.00 N ATOM 851 CA LYS A 54 5.590 5.655 12.510 1.00 0.00 C ATOM 852 C LYS A 54 4.709 6.833 12.975 1.00 0.00 C ATOM 853 O LYS A 54 4.927 7.406 14.043 1.00 0.00 O ATOM 854 CB LYS A 54 7.077 5.867 12.897 1.00 0.00 C ATOM 855 CG LYS A 54 7.896 6.770 11.942 1.00 0.00 C ATOM 856 CD LYS A 54 7.463 8.244 11.946 1.00 0.00 C ATOM 857 CE LYS A 54 7.884 8.974 13.217 1.00 0.00 C ATOM 858 NZ LYS A 54 9.354 8.977 13.387 1.00 0.00 N ATOM 0 H LYS A 54 6.371 5.525 10.567 1.00 0.00 H new ATOM 0 HA LYS A 54 5.177 4.798 13.042 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.115 6.298 13.897 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.562 4.892 12.951 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.949 6.711 12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.810 6.380 10.928 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.895 8.748 11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.380 8.301 11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.520 10.001 13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.419 8.498 14.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.621 9.694 14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.668 8.040 13.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.808 9.199 12.478 1.00 0.00 H new ATOM 872 N CYS A 55 3.729 7.153 12.203 1.00 0.00 N ATOM 873 CA CYS A 55 2.828 8.221 12.501 1.00 0.00 C ATOM 874 C CYS A 55 1.747 7.829 13.504 1.00 0.00 C ATOM 875 O CYS A 55 1.981 7.817 14.710 1.00 0.00 O ATOM 876 CB CYS A 55 2.226 8.769 11.230 1.00 0.00 C ATOM 877 SG CYS A 55 3.168 10.127 10.469 1.00 0.00 S ATOM 0 H CYS A 55 3.524 6.672 11.327 1.00 0.00 H new ATOM 0 HA CYS A 55 3.411 9.006 12.982 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.135 7.958 10.507 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.216 9.120 11.444 1.00 0.00 H new ATOM 882 N THR A 56 0.598 7.469 13.014 1.00 0.00 N ATOM 883 CA THR A 56 -0.508 7.119 13.850 1.00 0.00 C ATOM 884 C THR A 56 -0.479 5.616 13.941 1.00 0.00 C ATOM 885 O THR A 56 0.025 4.992 13.012 1.00 0.00 O ATOM 886 CB THR A 56 -1.814 7.584 13.163 1.00 0.00 C ATOM 887 OG1 THR A 56 -1.633 8.925 12.671 1.00 0.00 O ATOM 888 CG2 THR A 56 -2.987 7.574 14.131 1.00 0.00 C ATOM 0 H THR A 56 0.402 7.410 12.015 1.00 0.00 H new ATOM 0 HA THR A 56 -0.456 7.580 14.836 1.00 0.00 H new ATOM 0 HB THR A 56 -2.033 6.895 12.347 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.456 9.226 12.233 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.888 7.906 13.615 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.138 6.563 14.510 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.777 8.246 14.964 1.00 0.00 H new ATOM 896 N GLU A 57 -0.986 5.023 15.005 1.00 0.00 N ATOM 897 CA GLU A 57 -0.964 3.574 15.126 1.00 0.00 C ATOM 898 C GLU A 57 -1.750 2.912 13.987 1.00 0.00 C ATOM 899 O GLU A 57 -1.370 1.856 13.508 1.00 0.00 O ATOM 900 CB GLU A 57 -1.406 3.096 16.514 1.00 0.00 C ATOM 901 CG GLU A 57 -2.784 3.540 16.941 1.00 0.00 C ATOM 902 CD GLU A 57 -3.146 3.014 18.295 1.00 0.00 C ATOM 903 OE1 GLU A 57 -3.553 1.839 18.393 1.00 0.00 O ATOM 904 OE2 GLU A 57 -3.008 3.747 19.298 1.00 0.00 O ATOM 0 H GLU A 57 -1.414 5.513 15.791 1.00 0.00 H new ATOM 0 HA GLU A 57 0.073 3.252 15.025 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.371 2.007 16.533 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.684 3.451 17.249 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.827 4.629 16.951 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.518 3.199 16.211 1.00 0.00 H new ATOM 911 N ALA A 58 -2.811 3.581 13.516 1.00 0.00 N ATOM 912 CA ALA A 58 -3.565 3.112 12.351 1.00 0.00 C ATOM 913 C ALA A 58 -2.677 3.097 11.111 1.00 0.00 C ATOM 914 O ALA A 58 -2.803 2.223 10.266 1.00 0.00 O ATOM 915 CB ALA A 58 -4.775 3.992 12.091 1.00 0.00 C ATOM 0 H ALA A 58 -3.164 4.446 13.924 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.907 2.099 12.566 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.315 3.620 11.221 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.432 3.974 12.961 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.448 5.015 11.905 1.00 0.00 H new ATOM 921 N GLN A 59 -1.758 4.059 11.027 1.00 0.00 N ATOM 922 CA GLN A 59 -0.848 4.141 9.897 1.00 0.00 C ATOM 923 C GLN A 59 0.250 3.128 10.060 1.00 0.00 C ATOM 924 O GLN A 59 0.567 2.433 9.130 1.00 0.00 O ATOM 925 CB GLN A 59 -0.244 5.538 9.715 1.00 0.00 C ATOM 926 CG GLN A 59 -1.254 6.630 9.415 1.00 0.00 C ATOM 927 CD GLN A 59 -0.608 7.979 9.122 1.00 0.00 C ATOM 928 OE1 GLN A 59 0.554 7.980 8.510 1.00 0.00 O flip ATOM 929 NE2 GLN A 59 -1.167 9.022 9.426 1.00 0.00 N flip ATOM 0 H GLN A 59 -1.628 4.788 11.729 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.431 3.930 9.000 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.301 5.804 10.621 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.484 5.502 8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.860 6.331 8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.930 6.734 10.264 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.069 8.997 9.901 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.731 9.917 9.205 1.00 0.00 H new ATOM 938 N GLU A 60 0.832 3.061 11.259 1.00 0.00 N ATOM 939 CA GLU A 60 1.871 2.052 11.564 1.00 0.00 C ATOM 940 C GLU A 60 1.389 0.650 11.249 1.00 0.00 C ATOM 941 O GLU A 60 2.004 -0.083 10.459 1.00 0.00 O ATOM 942 CB GLU A 60 2.301 2.084 13.033 1.00 0.00 C ATOM 943 CG GLU A 60 2.781 3.418 13.470 1.00 0.00 C ATOM 944 CD GLU A 60 3.654 3.368 14.688 1.00 0.00 C ATOM 945 OE1 GLU A 60 4.878 3.204 14.553 1.00 0.00 O ATOM 946 OE2 GLU A 60 3.138 3.520 15.808 1.00 0.00 O ATOM 0 H GLU A 60 0.610 3.684 12.035 1.00 0.00 H new ATOM 0 HA GLU A 60 2.723 2.308 10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.460 1.784 13.658 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.092 1.351 13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.335 3.882 12.654 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.921 4.056 13.674 1.00 0.00 H new ATOM 953 N LYS A 61 0.289 0.295 11.854 1.00 0.00 N ATOM 954 CA LYS A 61 -0.307 -1.030 11.668 1.00 0.00 C ATOM 955 C LYS A 61 -0.816 -1.208 10.240 1.00 0.00 C ATOM 956 O LYS A 61 -0.741 -2.305 9.667 1.00 0.00 O ATOM 957 CB LYS A 61 -1.429 -1.305 12.687 1.00 0.00 C ATOM 958 CG LYS A 61 -0.979 -1.265 14.156 1.00 0.00 C ATOM 959 CD LYS A 61 0.132 -2.277 14.465 1.00 0.00 C ATOM 960 CE LYS A 61 -0.332 -3.720 14.298 1.00 0.00 C ATOM 961 NZ LYS A 61 0.758 -4.684 14.569 1.00 0.00 N ATOM 0 H LYS A 61 -0.229 0.901 12.490 1.00 0.00 H new ATOM 0 HA LYS A 61 0.480 -1.763 11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.222 -0.571 12.543 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.860 -2.284 12.479 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.627 -0.262 14.396 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.836 -1.465 14.799 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.981 -2.093 13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.482 -2.127 15.486 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.165 -3.914 14.974 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.703 -3.867 13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.387 -5.480 15.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.139 -5.039 13.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.515 -4.211 15.103 1.00 0.00 H new ATOM 975 N GLY A 62 -1.303 -0.127 9.664 1.00 0.00 N ATOM 976 CA GLY A 62 -1.768 -0.151 8.301 1.00 0.00 C ATOM 977 C GLY A 62 -0.629 -0.391 7.336 1.00 0.00 C ATOM 978 O GLY A 62 -0.771 -1.135 6.357 1.00 0.00 O ATOM 0 H GLY A 62 -1.385 0.779 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.518 -0.934 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.255 0.795 8.064 1.00 0.00 H new ATOM 982 N ALA A 63 0.495 0.223 7.621 1.00 0.00 N ATOM 983 CA ALA A 63 1.681 0.072 6.832 1.00 0.00 C ATOM 984 C ALA A 63 2.116 -1.362 6.819 1.00 0.00 C ATOM 985 O ALA A 63 2.235 -1.937 5.777 1.00 0.00 O ATOM 986 CB ALA A 63 2.802 0.951 7.353 1.00 0.00 C ATOM 0 H ALA A 63 0.606 0.848 8.419 1.00 0.00 H new ATOM 0 HA ALA A 63 1.449 0.385 5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.689 0.815 6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.492 1.995 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.032 0.675 8.382 1.00 0.00 H new ATOM 992 N GLU A 64 2.270 -1.960 7.989 1.00 0.00 N ATOM 993 CA GLU A 64 2.773 -3.331 8.081 1.00 0.00 C ATOM 994 C GLU A 64 1.835 -4.370 7.443 1.00 0.00 C ATOM 995 O GLU A 64 2.309 -5.362 6.893 1.00 0.00 O ATOM 996 CB GLU A 64 3.146 -3.702 9.515 1.00 0.00 C ATOM 997 CG GLU A 64 2.001 -3.659 10.488 1.00 0.00 C ATOM 998 CD GLU A 64 2.440 -3.873 11.900 1.00 0.00 C ATOM 999 OE1 GLU A 64 2.840 -2.907 12.549 1.00 0.00 O ATOM 1000 OE2 GLU A 64 2.363 -5.008 12.406 1.00 0.00 O ATOM 0 H GLU A 64 2.057 -1.525 8.887 1.00 0.00 H new ATOM 0 HA GLU A 64 3.687 -3.355 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.571 -4.706 9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.926 -3.024 9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.498 -2.695 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.271 -4.422 10.219 1.00 0.00 H new ATOM 1007 N THR A 65 0.531 -4.139 7.494 1.00 0.00 N ATOM 1008 CA THR A 65 -0.411 -5.061 6.876 1.00 0.00 C ATOM 1009 C THR A 65 -0.330 -4.924 5.345 1.00 0.00 C ATOM 1010 O THR A 65 -0.303 -5.941 4.604 1.00 0.00 O ATOM 1011 CB THR A 65 -1.876 -4.884 7.454 1.00 0.00 C ATOM 1012 OG1 THR A 65 -2.745 -5.932 7.031 1.00 0.00 O ATOM 1013 CG2 THR A 65 -2.511 -3.563 7.065 1.00 0.00 C ATOM 0 H THR A 65 0.105 -3.332 7.950 1.00 0.00 H new ATOM 0 HA THR A 65 -0.135 -6.085 7.128 1.00 0.00 H new ATOM 0 HB THR A 65 -1.753 -4.913 8.537 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.638 -5.789 7.408 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.513 -3.501 7.491 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.904 -2.741 7.445 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.574 -3.495 5.979 1.00 0.00 H new ATOM 1021 N SER A 66 -0.224 -3.682 4.877 1.00 0.00 N ATOM 1022 CA SER A 66 -0.044 -3.412 3.479 1.00 0.00 C ATOM 1023 C SER A 66 1.292 -4.022 3.011 1.00 0.00 C ATOM 1024 O SER A 66 1.338 -4.729 2.019 1.00 0.00 O ATOM 1025 CB SER A 66 -0.094 -1.889 3.218 1.00 0.00 C ATOM 1026 OG SER A 66 -0.109 -1.590 1.830 1.00 0.00 O ATOM 0 H SER A 66 -0.262 -2.849 5.464 1.00 0.00 H new ATOM 0 HA SER A 66 -0.852 -3.869 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.982 -1.469 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.769 -1.412 3.683 1.00 0.00 H new ATOM 0 HG SER A 66 0.018 -0.627 1.701 1.00 0.00 H new ATOM 1032 N ILE A 67 2.342 -3.807 3.793 1.00 0.00 N ATOM 1033 CA ILE A 67 3.684 -4.301 3.484 1.00 0.00 C ATOM 1034 C ILE A 67 3.701 -5.815 3.402 1.00 0.00 C ATOM 1035 O ILE A 67 4.245 -6.370 2.461 1.00 0.00 O ATOM 1036 CB ILE A 67 4.757 -3.808 4.527 1.00 0.00 C ATOM 1037 CG1 ILE A 67 4.913 -2.278 4.462 1.00 0.00 C ATOM 1038 CG2 ILE A 67 6.105 -4.488 4.287 1.00 0.00 C ATOM 1039 CD1 ILE A 67 5.830 -1.679 5.512 1.00 0.00 C ATOM 0 H ILE A 67 2.289 -3.282 4.666 1.00 0.00 H new ATOM 0 HA ILE A 67 3.951 -3.888 2.511 1.00 0.00 H new ATOM 0 HB ILE A 67 4.408 -4.081 5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.291 -2.009 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.927 -1.823 4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.828 -4.131 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.991 -5.567 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.458 -4.251 3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.874 -0.598 5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.446 -1.910 6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.830 -2.098 5.403 1.00 0.00 H new ATOM 1051 N ASP A 68 3.066 -6.458 4.360 1.00 0.00 N ATOM 1052 CA ASP A 68 3.068 -7.910 4.438 1.00 0.00 C ATOM 1053 C ASP A 68 2.511 -8.541 3.183 1.00 0.00 C ATOM 1054 O ASP A 68 3.246 -9.215 2.431 1.00 0.00 O ATOM 1055 CB ASP A 68 2.234 -8.358 5.653 1.00 0.00 C ATOM 1056 CG ASP A 68 2.053 -9.866 5.776 1.00 0.00 C ATOM 1057 OD1 ASP A 68 2.904 -10.531 6.387 1.00 0.00 O ATOM 1058 OD2 ASP A 68 1.008 -10.398 5.319 1.00 0.00 O ATOM 0 H ASP A 68 2.538 -5.997 5.101 1.00 0.00 H new ATOM 0 HA ASP A 68 4.102 -8.239 4.546 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.710 -7.987 6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.251 -7.891 5.595 1.00 0.00 H new ATOM 1063 N TYR A 69 1.279 -8.228 2.857 1.00 0.00 N ATOM 1064 CA TYR A 69 0.693 -8.924 1.753 1.00 0.00 C ATOM 1065 C TYR A 69 1.124 -8.366 0.403 1.00 0.00 C ATOM 1066 O TYR A 69 1.422 -9.135 -0.521 1.00 0.00 O ATOM 1067 CB TYR A 69 -0.823 -9.061 1.861 1.00 0.00 C ATOM 1068 CG TYR A 69 -1.353 -10.102 0.909 1.00 0.00 C ATOM 1069 CD1 TYR A 69 -1.343 -11.446 1.251 1.00 0.00 C ATOM 1070 CD2 TYR A 69 -1.823 -9.756 -0.335 1.00 0.00 C ATOM 1071 CE1 TYR A 69 -1.786 -12.408 0.371 1.00 0.00 C ATOM 1072 CE2 TYR A 69 -2.273 -10.708 -1.210 1.00 0.00 C ATOM 1073 CZ TYR A 69 -2.253 -12.028 -0.862 1.00 0.00 C ATOM 1074 OH TYR A 69 -2.686 -12.979 -1.766 1.00 0.00 O ATOM 0 H TYR A 69 0.693 -7.531 3.317 1.00 0.00 H new ATOM 0 HA TYR A 69 1.092 -9.937 1.811 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.093 -9.329 2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.292 -8.100 1.649 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.982 -11.743 2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.838 -8.716 -0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.766 -13.452 0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.646 -10.413 -2.180 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.630 -12.822 -1.979 1.00 0.00 H new ATOM 1084 N LEU A 70 1.190 -7.052 0.282 1.00 0.00 N ATOM 1085 CA LEU A 70 1.522 -6.447 -0.979 1.00 0.00 C ATOM 1086 C LEU A 70 2.948 -6.811 -1.407 1.00 0.00 C ATOM 1087 O LEU A 70 3.158 -7.174 -2.551 1.00 0.00 O ATOM 1088 CB LEU A 70 1.258 -4.924 -0.957 1.00 0.00 C ATOM 1089 CG LEU A 70 1.207 -4.213 -2.309 1.00 0.00 C ATOM 1090 CD1 LEU A 70 0.404 -2.927 -2.207 1.00 0.00 C ATOM 1091 CD2 LEU A 70 2.592 -3.895 -2.805 1.00 0.00 C ATOM 0 H LEU A 70 1.018 -6.393 1.042 1.00 0.00 H new ATOM 0 HA LEU A 70 0.861 -6.855 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.311 -4.751 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.035 -4.453 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 70 0.724 -4.887 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.379 -2.435 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.613 -3.157 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.869 -2.264 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.526 -3.390 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.095 -3.246 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.159 -4.819 -2.918 1.00 0.00 H new ATOM 1103 N ILE A 71 3.903 -6.782 -0.484 1.00 0.00 N ATOM 1104 CA ILE A 71 5.277 -7.150 -0.830 1.00 0.00 C ATOM 1105 C ILE A 71 5.368 -8.633 -1.229 1.00 0.00 C ATOM 1106 O ILE A 71 6.065 -8.979 -2.195 1.00 0.00 O ATOM 1107 CB ILE A 71 6.315 -6.808 0.303 1.00 0.00 C ATOM 1108 CG1 ILE A 71 6.505 -5.279 0.455 1.00 0.00 C ATOM 1109 CG2 ILE A 71 7.665 -7.487 0.071 1.00 0.00 C ATOM 1110 CD1 ILE A 71 7.154 -4.592 -0.743 1.00 0.00 C ATOM 0 H ILE A 71 3.760 -6.514 0.490 1.00 0.00 H new ATOM 0 HA ILE A 71 5.549 -6.538 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 71 5.899 -7.200 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.532 -4.822 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.114 -5.089 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.349 -7.222 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.530 -8.568 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.080 -7.155 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.246 -3.524 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.144 -5.016 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.537 -4.745 -1.628 1.00 0.00 H new ATOM 1122 N LYS A 72 4.642 -9.517 -0.535 1.00 0.00 N ATOM 1123 CA LYS A 72 4.751 -10.932 -0.892 1.00 0.00 C ATOM 1124 C LYS A 72 3.739 -11.390 -1.960 1.00 0.00 C ATOM 1125 O LYS A 72 3.655 -12.583 -2.264 1.00 0.00 O ATOM 1126 CB LYS A 72 4.753 -11.850 0.341 1.00 0.00 C ATOM 1127 CG LYS A 72 3.473 -11.898 1.149 1.00 0.00 C ATOM 1128 CD LYS A 72 3.724 -12.617 2.468 1.00 0.00 C ATOM 1129 CE LYS A 72 2.477 -12.708 3.339 1.00 0.00 C ATOM 1130 NZ LYS A 72 1.480 -13.669 2.817 1.00 0.00 N ATOM 0 H LYS A 72 4.008 -9.296 0.233 1.00 0.00 H new ATOM 0 HA LYS A 72 5.728 -11.029 -1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.987 -12.863 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.561 -11.534 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.113 -10.887 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.695 -12.413 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.093 -13.622 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.508 -12.095 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.765 -13.003 4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.019 -11.722 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.654 -13.690 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.181 -13.376 1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.904 -14.618 2.770 1.00 0.00 H new ATOM 1144 N ASN A 73 2.978 -10.465 -2.538 1.00 0.00 N ATOM 1145 CA ASN A 73 2.044 -10.852 -3.621 1.00 0.00 C ATOM 1146 C ASN A 73 2.063 -9.874 -4.796 1.00 0.00 C ATOM 1147 O ASN A 73 2.382 -10.245 -5.925 1.00 0.00 O ATOM 1148 CB ASN A 73 0.607 -10.915 -3.104 1.00 0.00 C ATOM 1149 CG ASN A 73 -0.394 -11.289 -4.199 1.00 0.00 C ATOM 1150 OD1 ASN A 73 -1.532 -10.628 -4.206 1.00 0.00 O flip ATOM 1151 ND2 ASN A 73 -0.118 -12.123 -5.058 1.00 0.00 N flip ATOM 0 H ASN A 73 2.978 -9.474 -2.295 1.00 0.00 H new ATOM 0 HA ASN A 73 2.382 -11.830 -3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.547 -11.645 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.334 -9.948 -2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.774 -12.617 -5.022 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.781 -12.322 -5.808 1.00 0.00 H new ATOM 1158 N GLU A 74 1.790 -8.628 -4.515 1.00 0.00 N ATOM 1159 CA GLU A 74 1.603 -7.613 -5.543 1.00 0.00 C ATOM 1160 C GLU A 74 2.780 -6.654 -5.566 1.00 0.00 C ATOM 1161 O GLU A 74 2.599 -5.436 -5.574 1.00 0.00 O ATOM 1162 CB GLU A 74 0.307 -6.830 -5.268 1.00 0.00 C ATOM 1163 CG GLU A 74 -0.979 -7.636 -5.392 1.00 0.00 C ATOM 1164 CD GLU A 74 -1.193 -8.177 -6.787 1.00 0.00 C ATOM 1165 OE1 GLU A 74 -1.472 -7.381 -7.705 1.00 0.00 O ATOM 1166 OE2 GLU A 74 -1.079 -9.403 -6.989 1.00 0.00 O ATOM 0 H GLU A 74 1.688 -8.276 -3.563 1.00 0.00 H new ATOM 0 HA GLU A 74 1.535 -8.107 -6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.360 -6.414 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.257 -5.988 -5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.954 -8.465 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.826 -7.007 -5.116 1.00 0.00 H new ATOM 1173 N LEU A 75 3.982 -7.207 -5.640 1.00 0.00 N ATOM 1174 CA LEU A 75 5.222 -6.427 -5.605 1.00 0.00 C ATOM 1175 C LEU A 75 5.260 -5.382 -6.728 1.00 0.00 C ATOM 1176 O LEU A 75 5.843 -4.314 -6.572 1.00 0.00 O ATOM 1177 CB LEU A 75 6.439 -7.358 -5.704 1.00 0.00 C ATOM 1178 CG LEU A 75 7.817 -6.696 -5.593 1.00 0.00 C ATOM 1179 CD1 LEU A 75 8.010 -6.067 -4.219 1.00 0.00 C ATOM 1180 CD2 LEU A 75 8.918 -7.700 -5.888 1.00 0.00 C ATOM 0 H LEU A 75 4.131 -8.212 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 75 5.255 -5.896 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.358 -8.110 -4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.389 -7.885 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 75 7.873 -5.901 -6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.995 -5.604 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.244 -5.309 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.929 -6.837 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.888 -7.211 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.863 -8.521 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.794 -8.089 -6.899 1.00 0.00 H new ATOM 1192 N GLU A 76 4.602 -5.684 -7.836 1.00 0.00 N ATOM 1193 CA GLU A 76 4.537 -4.768 -8.967 1.00 0.00 C ATOM 1194 C GLU A 76 3.777 -3.495 -8.607 1.00 0.00 C ATOM 1195 O GLU A 76 4.128 -2.410 -9.055 1.00 0.00 O ATOM 1196 CB GLU A 76 3.897 -5.433 -10.176 1.00 0.00 C ATOM 1197 CG GLU A 76 4.647 -6.642 -10.689 1.00 0.00 C ATOM 1198 CD GLU A 76 6.096 -6.344 -10.964 1.00 0.00 C ATOM 1199 OE1 GLU A 76 6.400 -5.505 -11.821 1.00 0.00 O ATOM 1200 OE2 GLU A 76 6.960 -6.931 -10.300 1.00 0.00 O ATOM 0 H GLU A 76 4.102 -6.562 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 76 5.561 -4.497 -9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.882 -5.733 -9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.818 -4.701 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.577 -7.447 -9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.173 -7.000 -11.603 1.00 0.00 H new ATOM 1207 N ILE A 77 2.777 -3.630 -7.752 1.00 0.00 N ATOM 1208 CA ILE A 77 1.974 -2.497 -7.324 1.00 0.00 C ATOM 1209 C ILE A 77 2.829 -1.600 -6.431 1.00 0.00 C ATOM 1210 O ILE A 77 2.725 -0.370 -6.473 1.00 0.00 O ATOM 1211 CB ILE A 77 0.680 -2.954 -6.578 1.00 0.00 C ATOM 1212 CG1 ILE A 77 -0.180 -3.866 -7.483 1.00 0.00 C ATOM 1213 CG2 ILE A 77 -0.139 -1.758 -6.084 1.00 0.00 C ATOM 1214 CD1 ILE A 77 -0.645 -3.223 -8.783 1.00 0.00 C ATOM 0 H ILE A 77 2.501 -4.520 -7.338 1.00 0.00 H new ATOM 0 HA ILE A 77 1.649 -1.941 -8.204 1.00 0.00 H new ATOM 0 HB ILE A 77 0.990 -3.525 -5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.394 -4.761 -7.722 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.056 -4.190 -6.921 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.031 -2.115 -5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.463 -1.164 -5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.432 -1.142 -6.934 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.241 -3.938 -9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.250 -2.345 -8.558 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.222 -2.925 -9.372 1.00 0.00 H new ATOM 1226 N TRP A 78 3.717 -2.233 -5.670 1.00 0.00 N ATOM 1227 CA TRP A 78 4.663 -1.521 -4.826 1.00 0.00 C ATOM 1228 C TRP A 78 5.585 -0.694 -5.697 1.00 0.00 C ATOM 1229 O TRP A 78 5.776 0.488 -5.457 1.00 0.00 O ATOM 1230 CB TRP A 78 5.482 -2.502 -3.981 1.00 0.00 C ATOM 1231 CG TRP A 78 6.538 -1.845 -3.160 1.00 0.00 C ATOM 1232 CD1 TRP A 78 6.359 -1.137 -2.014 1.00 0.00 C ATOM 1233 CD2 TRP A 78 7.945 -1.841 -3.425 1.00 0.00 C ATOM 1234 NE1 TRP A 78 7.564 -0.686 -1.549 1.00 0.00 N ATOM 1235 CE2 TRP A 78 8.554 -1.105 -2.401 1.00 0.00 C ATOM 1236 CE3 TRP A 78 8.747 -2.386 -4.435 1.00 0.00 C ATOM 1237 CZ2 TRP A 78 9.923 -0.901 -2.351 1.00 0.00 C ATOM 1238 CZ3 TRP A 78 10.108 -2.181 -4.383 1.00 0.00 C ATOM 1239 CH2 TRP A 78 10.685 -1.444 -3.349 1.00 0.00 C ATOM 0 H TRP A 78 3.799 -3.249 -5.623 1.00 0.00 H new ATOM 0 HA TRP A 78 4.111 -0.868 -4.150 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.809 -3.050 -3.321 1.00 0.00 H new ATOM 0 HB3 TRP A 78 5.949 -3.234 -4.640 1.00 0.00 H new ATOM 0 HD1 TRP A 78 5.405 -0.957 -1.540 1.00 0.00 H new ATOM 0 HE1 TRP A 78 7.704 -0.129 -0.706 1.00 0.00 H new ATOM 0 HE3 TRP A 78 8.307 -2.956 -5.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 10.374 -0.332 -1.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 10.738 -2.597 -5.155 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.755 -1.299 -3.336 1.00 0.00 H new ATOM 1250 N LYS A 79 6.091 -1.328 -6.749 1.00 0.00 N ATOM 1251 CA LYS A 79 6.994 -0.693 -7.709 1.00 0.00 C ATOM 1252 C LYS A 79 6.355 0.537 -8.343 1.00 0.00 C ATOM 1253 O LYS A 79 7.043 1.498 -8.711 1.00 0.00 O ATOM 1254 CB LYS A 79 7.375 -1.672 -8.810 1.00 0.00 C ATOM 1255 CG LYS A 79 8.119 -2.897 -8.334 1.00 0.00 C ATOM 1256 CD LYS A 79 8.412 -3.815 -9.497 1.00 0.00 C ATOM 1257 CE LYS A 79 9.183 -5.049 -9.076 1.00 0.00 C ATOM 1258 NZ LYS A 79 9.408 -5.940 -10.218 1.00 0.00 N ATOM 0 H LYS A 79 5.886 -2.304 -6.963 1.00 0.00 H new ATOM 0 HA LYS A 79 7.885 -0.386 -7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.468 -1.991 -9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.991 -1.152 -9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.050 -2.601 -7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.526 -3.424 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.474 -4.117 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.983 -3.272 -10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.140 -4.755 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.632 -5.579 -8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.320 -6.426 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.644 -6.644 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.419 -5.383 -11.096 1.00 0.00 H new ATOM 1272 N GLU A 80 5.050 0.506 -8.478 1.00 0.00 N ATOM 1273 CA GLU A 80 4.331 1.617 -9.024 1.00 0.00 C ATOM 1274 C GLU A 80 4.170 2.746 -8.009 1.00 0.00 C ATOM 1275 O GLU A 80 4.163 3.913 -8.378 1.00 0.00 O ATOM 1276 CB GLU A 80 3.015 1.183 -9.633 1.00 0.00 C ATOM 1277 CG GLU A 80 3.211 0.263 -10.827 1.00 0.00 C ATOM 1278 CD GLU A 80 1.942 -0.040 -11.567 1.00 0.00 C ATOM 1279 OE1 GLU A 80 1.397 0.878 -12.230 1.00 0.00 O ATOM 1280 OE2 GLU A 80 1.504 -1.199 -11.575 1.00 0.00 O ATOM 0 H GLU A 80 4.466 -0.287 -8.213 1.00 0.00 H new ATOM 0 HA GLU A 80 4.929 2.026 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.418 0.673 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.452 2.063 -9.943 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.922 0.721 -11.515 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.655 -0.672 -10.485 1.00 0.00 H new ATOM 1287 N LEU A 81 4.090 2.408 -6.728 1.00 0.00 N ATOM 1288 CA LEU A 81 4.056 3.438 -5.689 1.00 0.00 C ATOM 1289 C LEU A 81 5.449 4.033 -5.573 1.00 0.00 C ATOM 1290 O LEU A 81 5.620 5.241 -5.344 1.00 0.00 O ATOM 1291 CB LEU A 81 3.586 2.884 -4.334 1.00 0.00 C ATOM 1292 CG LEU A 81 2.218 2.187 -4.336 1.00 0.00 C ATOM 1293 CD1 LEU A 81 1.886 1.659 -2.955 1.00 0.00 C ATOM 1294 CD2 LEU A 81 1.122 3.133 -4.820 1.00 0.00 C ATOM 0 H LEU A 81 4.048 1.449 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 81 3.333 4.204 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.333 2.177 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.553 3.706 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 81 2.271 1.346 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.913 1.169 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.647 0.942 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.859 2.486 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.164 2.614 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.071 3.999 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.347 3.462 -5.834 1.00 0.00 H new ATOM 1306 N THR A 82 6.439 3.178 -5.786 1.00 0.00 N ATOM 1307 CA THR A 82 7.808 3.584 -5.864 1.00 0.00 C ATOM 1308 C THR A 82 7.971 4.580 -7.016 1.00 0.00 C ATOM 1309 O THR A 82 8.505 5.655 -6.829 1.00 0.00 O ATOM 1310 CB THR A 82 8.727 2.348 -6.065 1.00 0.00 C ATOM 1311 OG1 THR A 82 8.541 1.456 -4.968 1.00 0.00 O ATOM 1312 CG2 THR A 82 10.196 2.738 -6.139 1.00 0.00 C ATOM 0 H THR A 82 6.298 2.175 -5.909 1.00 0.00 H new ATOM 0 HA THR A 82 8.100 4.068 -4.932 1.00 0.00 H new ATOM 0 HB THR A 82 8.457 1.874 -7.009 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.542 1.964 -4.130 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.803 1.844 -6.280 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.350 3.417 -6.977 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.488 3.233 -5.213 1.00 0.00 H new ATOM 1320 N ALA A 83 7.427 4.235 -8.178 1.00 0.00 N ATOM 1321 CA ALA A 83 7.477 5.095 -9.361 1.00 0.00 C ATOM 1322 C ALA A 83 6.698 6.398 -9.153 1.00 0.00 C ATOM 1323 O ALA A 83 7.033 7.433 -9.742 1.00 0.00 O ATOM 1324 CB ALA A 83 6.964 4.352 -10.586 1.00 0.00 C ATOM 0 H ALA A 83 6.939 3.352 -8.329 1.00 0.00 H new ATOM 0 HA ALA A 83 8.521 5.363 -9.526 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.009 5.008 -11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.582 3.472 -10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.932 4.043 -10.418 1.00 0.00 H new ATOM 1330 N HIS A 84 5.673 6.336 -8.323 1.00 0.00 N ATOM 1331 CA HIS A 84 4.851 7.496 -7.985 1.00 0.00 C ATOM 1332 C HIS A 84 5.684 8.538 -7.242 1.00 0.00 C ATOM 1333 O HIS A 84 5.636 9.722 -7.559 1.00 0.00 O ATOM 1334 CB HIS A 84 3.623 7.054 -7.133 1.00 0.00 C ATOM 1335 CG HIS A 84 2.679 8.163 -6.677 1.00 0.00 C ATOM 1336 ND1 HIS A 84 1.453 8.399 -7.253 1.00 0.00 N ATOM 1337 CD2 HIS A 84 2.773 9.052 -5.652 1.00 0.00 C ATOM 1338 CE1 HIS A 84 0.843 9.369 -6.613 1.00 0.00 C ATOM 1339 NE2 HIS A 84 1.620 9.781 -5.642 1.00 0.00 N ATOM 0 H HIS A 84 5.381 5.476 -7.858 1.00 0.00 H new ATOM 0 HA HIS A 84 4.484 7.949 -8.906 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.047 6.332 -7.712 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.990 6.533 -6.249 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.605 9.161 -4.973 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.135 9.762 -6.847 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.398 10.528 -4.984 1.00 0.00 H new ATOM 1348 N PHE A 85 6.465 8.106 -6.279 1.00 0.00 N ATOM 1349 CA PHE A 85 7.224 9.059 -5.491 1.00 0.00 C ATOM 1350 C PHE A 85 8.702 9.146 -5.898 1.00 0.00 C ATOM 1351 O PHE A 85 9.189 10.222 -6.238 1.00 0.00 O ATOM 1352 CB PHE A 85 7.085 8.781 -3.985 1.00 0.00 C ATOM 1353 CG PHE A 85 7.736 9.835 -3.124 1.00 0.00 C ATOM 1354 CD1 PHE A 85 7.101 11.044 -2.898 1.00 0.00 C ATOM 1355 CD2 PHE A 85 8.981 9.625 -2.558 1.00 0.00 C ATOM 1356 CE1 PHE A 85 7.693 12.021 -2.123 1.00 0.00 C ATOM 1357 CE2 PHE A 85 9.578 10.600 -1.786 1.00 0.00 C ATOM 1358 CZ PHE A 85 8.934 11.799 -1.567 1.00 0.00 C ATOM 0 H PHE A 85 6.593 7.127 -6.024 1.00 0.00 H new ATOM 0 HA PHE A 85 6.788 10.035 -5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.027 8.715 -3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 85 7.528 7.811 -3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.130 11.225 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.491 8.687 -2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.184 12.958 -1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.551 10.424 -1.353 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.401 12.562 -0.962 1.00 0.00 H new ATOM 1368 N ASP A 86 9.403 8.033 -5.888 1.00 0.00 N ATOM 1369 CA ASP A 86 10.851 8.048 -6.129 1.00 0.00 C ATOM 1370 C ASP A 86 11.333 6.734 -6.757 1.00 0.00 C ATOM 1371 O ASP A 86 11.655 5.764 -6.043 1.00 0.00 O ATOM 1372 CB ASP A 86 11.603 8.320 -4.817 1.00 0.00 C ATOM 1373 CG ASP A 86 13.095 8.404 -4.994 1.00 0.00 C ATOM 1374 OD1 ASP A 86 13.585 9.435 -5.487 1.00 0.00 O ATOM 1375 OD2 ASP A 86 13.802 7.459 -4.629 1.00 0.00 O ATOM 0 H ASP A 86 9.009 7.108 -5.718 1.00 0.00 H new ATOM 0 HA ASP A 86 11.063 8.850 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.242 9.254 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.372 7.529 -4.103 1.00 0.00 H new ATOM 1380 N PRO A 87 11.271 6.636 -8.098 1.00 0.00 N ATOM 1381 CA PRO A 87 11.727 5.451 -8.830 1.00 0.00 C ATOM 1382 C PRO A 87 13.245 5.345 -8.952 1.00 0.00 C ATOM 1383 O PRO A 87 13.792 4.247 -9.046 1.00 0.00 O ATOM 1384 CB PRO A 87 11.109 5.606 -10.221 1.00 0.00 C ATOM 1385 CG PRO A 87 10.814 7.064 -10.385 1.00 0.00 C ATOM 1386 CD PRO A 87 10.713 7.670 -9.006 1.00 0.00 C ATOM 0 HA PRO A 87 11.426 4.546 -8.303 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.795 5.258 -10.993 1.00 0.00 H new ATOM 0 HB3 PRO A 87 10.200 5.012 -10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.601 7.551 -10.960 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.883 7.206 -10.934 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.277 8.601 -8.940 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.679 7.905 -8.751 1.00 0.00 H new ATOM 1394 N ASP A 88 13.922 6.474 -8.914 1.00 0.00 N ATOM 1395 CA ASP A 88 15.351 6.518 -9.222 1.00 0.00 C ATOM 1396 C ASP A 88 16.199 6.484 -7.942 1.00 0.00 C ATOM 1397 O ASP A 88 17.363 6.894 -7.920 1.00 0.00 O ATOM 1398 CB ASP A 88 15.640 7.775 -10.065 1.00 0.00 C ATOM 1399 CG ASP A 88 17.002 7.777 -10.718 1.00 0.00 C ATOM 1400 OD1 ASP A 88 17.204 7.032 -11.692 1.00 0.00 O ATOM 1401 OD2 ASP A 88 17.890 8.537 -10.283 1.00 0.00 O ATOM 0 H ASP A 88 13.513 7.377 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 88 15.626 5.634 -9.797 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.877 7.864 -10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 88 15.553 8.655 -9.428 1.00 0.00 H new ATOM 1406 N GLY A 89 15.628 5.965 -6.886 1.00 0.00 N ATOM 1407 CA GLY A 89 16.349 5.848 -5.636 1.00 0.00 C ATOM 1408 C GLY A 89 17.206 4.600 -5.593 1.00 0.00 C ATOM 1409 O GLY A 89 17.528 4.015 -6.641 1.00 0.00 O ATOM 0 H GLY A 89 14.670 5.617 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.979 6.726 -5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.640 5.830 -4.808 1.00 0.00 H new ATOM 1413 N LYS A 90 17.571 4.175 -4.402 1.00 0.00 N ATOM 1414 CA LYS A 90 18.380 2.982 -4.227 1.00 0.00 C ATOM 1415 C LYS A 90 17.557 1.753 -4.608 1.00 0.00 C ATOM 1416 O LYS A 90 18.107 0.759 -5.066 1.00 0.00 O ATOM 1417 CB LYS A 90 18.875 2.873 -2.778 1.00 0.00 C ATOM 1418 CG LYS A 90 19.917 1.776 -2.527 1.00 0.00 C ATOM 1419 CD LYS A 90 21.219 2.044 -3.259 1.00 0.00 C ATOM 1420 CE LYS A 90 22.263 0.981 -2.937 1.00 0.00 C ATOM 1421 NZ LYS A 90 23.569 1.284 -3.547 1.00 0.00 N ATOM 0 H LYS A 90 17.318 4.642 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 90 19.254 3.043 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.301 3.832 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.017 2.693 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 90 20.112 1.701 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.514 0.815 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 90 21.037 2.065 -4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 90 21.600 3.027 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 90 22.378 0.902 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 90 21.914 0.011 -3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 24.248 0.536 -3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 23.466 1.334 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 23.916 2.197 -3.189 1.00 0.00 H new ATOM 1435 N TRP A 91 16.231 1.845 -4.384 1.00 0.00 N ATOM 1436 CA TRP A 91 15.215 0.824 -4.761 1.00 0.00 C ATOM 1437 C TRP A 91 15.361 -0.442 -3.912 1.00 0.00 C ATOM 1438 O TRP A 91 14.498 -0.758 -3.096 1.00 0.00 O ATOM 1439 CB TRP A 91 15.301 0.483 -6.269 1.00 0.00 C ATOM 1440 CG TRP A 91 14.099 -0.228 -6.851 1.00 0.00 C ATOM 1441 CD1 TRP A 91 13.161 0.332 -7.660 1.00 0.00 C ATOM 1442 CD2 TRP A 91 13.696 -1.613 -6.683 1.00 0.00 C ATOM 1443 NE1 TRP A 91 12.230 -0.601 -8.018 1.00 0.00 N ATOM 1444 CE2 TRP A 91 12.529 -1.792 -7.435 1.00 0.00 C ATOM 1445 CE3 TRP A 91 14.208 -2.710 -5.984 1.00 0.00 C ATOM 1446 CZ2 TRP A 91 11.867 -3.006 -7.509 1.00 0.00 C ATOM 1447 CZ3 TRP A 91 13.547 -3.919 -6.057 1.00 0.00 C ATOM 1448 CH2 TRP A 91 12.389 -4.059 -6.818 1.00 0.00 C ATOM 0 H TRP A 91 15.818 2.655 -3.922 1.00 0.00 H new ATOM 0 HA TRP A 91 14.231 1.250 -4.565 1.00 0.00 H new ATOM 0 HB2 TRP A 91 15.456 1.408 -6.824 1.00 0.00 H new ATOM 0 HB3 TRP A 91 16.182 -0.138 -6.432 1.00 0.00 H new ATOM 0 HD1 TRP A 91 13.153 1.365 -7.974 1.00 0.00 H new ATOM 0 HE1 TRP A 91 11.432 -0.430 -8.630 1.00 0.00 H new ATOM 0 HE3 TRP A 91 15.108 -2.613 -5.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.966 -3.115 -8.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 13.934 -4.770 -5.516 1.00 0.00 H new ATOM 0 HH2 TRP A 91 11.896 -5.019 -6.862 1.00 0.00 H new ATOM 1459 N ARG A 92 16.482 -1.127 -4.099 1.00 0.00 N ATOM 1460 CA ARG A 92 16.829 -2.363 -3.391 1.00 0.00 C ATOM 1461 C ARG A 92 16.773 -2.153 -1.881 1.00 0.00 C ATOM 1462 O ARG A 92 16.309 -3.014 -1.139 1.00 0.00 O ATOM 1463 CB ARG A 92 18.239 -2.853 -3.813 1.00 0.00 C ATOM 1464 CG ARG A 92 18.331 -3.652 -5.141 1.00 0.00 C ATOM 1465 CD ARG A 92 17.809 -2.914 -6.387 1.00 0.00 C ATOM 1466 NE ARG A 92 18.522 -1.657 -6.686 1.00 0.00 N ATOM 1467 CZ ARG A 92 18.336 -0.908 -7.795 1.00 0.00 C ATOM 1468 NH1 ARG A 92 17.479 -1.294 -8.734 1.00 0.00 N ATOM 1469 NH2 ARG A 92 19.022 0.215 -7.955 1.00 0.00 N ATOM 0 H ARG A 92 17.198 -0.834 -4.764 1.00 0.00 H new ATOM 0 HA ARG A 92 16.099 -3.126 -3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.891 -1.984 -3.893 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.636 -3.477 -3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.372 -3.926 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.772 -4.581 -5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.888 -3.577 -7.248 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.750 -2.695 -6.249 1.00 0.00 H new ATOM 0 HE ARG A 92 19.206 -1.329 -6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 92 16.955 -2.162 -8.621 1.00 0.00 H new ATOM 0 HH12 ARG A 92 17.345 -0.722 -9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 92 19.688 0.512 -7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 92 18.884 0.782 -8.791 1.00 0.00 H new ATOM 1483 N LYS A 93 17.178 -0.970 -1.459 1.00 0.00 N ATOM 1484 CA LYS A 93 17.203 -0.608 -0.055 1.00 0.00 C ATOM 1485 C LYS A 93 15.792 -0.544 0.505 1.00 0.00 C ATOM 1486 O LYS A 93 15.553 -0.985 1.609 1.00 0.00 O ATOM 1487 CB LYS A 93 17.909 0.726 0.115 1.00 0.00 C ATOM 1488 CG LYS A 93 18.248 1.113 1.543 1.00 0.00 C ATOM 1489 CD LYS A 93 19.037 2.408 1.547 1.00 0.00 C ATOM 1490 CE LYS A 93 19.594 2.738 2.920 1.00 0.00 C ATOM 1491 NZ LYS A 93 20.432 3.961 2.887 1.00 0.00 N ATOM 0 H LYS A 93 17.500 -0.230 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 93 17.750 -1.371 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.832 0.705 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.281 1.506 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.334 1.231 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.828 0.321 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.857 2.334 0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.395 3.223 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.773 2.877 3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.187 1.899 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.797 4.158 3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.229 3.818 2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.859 4.766 2.563 1.00 0.00 H new ATOM 1505 N LYS A 94 14.853 -0.031 -0.287 1.00 0.00 N ATOM 1506 CA LYS A 94 13.458 0.050 0.139 1.00 0.00 C ATOM 1507 C LYS A 94 12.895 -1.351 0.263 1.00 0.00 C ATOM 1508 O LYS A 94 12.223 -1.690 1.226 1.00 0.00 O ATOM 1509 CB LYS A 94 12.601 0.787 -0.882 1.00 0.00 C ATOM 1510 CG LYS A 94 12.945 2.226 -1.158 1.00 0.00 C ATOM 1511 CD LYS A 94 11.984 2.761 -2.207 1.00 0.00 C ATOM 1512 CE LYS A 94 12.097 4.253 -2.397 1.00 0.00 C ATOM 1513 NZ LYS A 94 11.098 4.752 -3.361 1.00 0.00 N ATOM 0 H LYS A 94 15.032 0.333 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 94 13.436 0.585 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.653 0.241 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.565 0.746 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.873 2.814 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.973 2.309 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.177 2.263 -3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.963 2.513 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.962 4.754 -1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.099 4.501 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.690 5.642 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.556 4.921 -4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.343 4.046 -3.475 1.00 0.00 H new ATOM 1527 N TYR A 95 13.196 -2.146 -0.730 1.00 0.00 N ATOM 1528 CA TYR A 95 12.751 -3.519 -0.830 1.00 0.00 C ATOM 1529 C TYR A 95 13.194 -4.317 0.411 1.00 0.00 C ATOM 1530 O TYR A 95 12.388 -5.028 1.020 1.00 0.00 O ATOM 1531 CB TYR A 95 13.299 -4.071 -2.154 1.00 0.00 C ATOM 1532 CG TYR A 95 12.948 -5.483 -2.550 1.00 0.00 C ATOM 1533 CD1 TYR A 95 11.635 -5.942 -2.546 1.00 0.00 C ATOM 1534 CD2 TYR A 95 13.939 -6.337 -3.011 1.00 0.00 C ATOM 1535 CE1 TYR A 95 11.330 -7.217 -2.988 1.00 0.00 C ATOM 1536 CE2 TYR A 95 13.644 -7.608 -3.441 1.00 0.00 C ATOM 1537 CZ TYR A 95 12.341 -8.046 -3.431 1.00 0.00 C ATOM 1538 OH TYR A 95 12.047 -9.314 -3.884 1.00 0.00 O ATOM 0 H TYR A 95 13.774 -1.851 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 95 11.664 -3.601 -0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 95 12.962 -3.410 -2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 95 14.386 -3.998 -2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.845 -5.296 -2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.963 -5.996 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 95 10.307 -7.562 -2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 95 14.433 -8.260 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 95 12.870 -9.843 -3.932 1.00 0.00 H new ATOM 1548 N GLU A 96 14.445 -4.135 0.819 1.00 0.00 N ATOM 1549 CA GLU A 96 14.951 -4.774 2.028 1.00 0.00 C ATOM 1550 C GLU A 96 14.348 -4.137 3.278 1.00 0.00 C ATOM 1551 O GLU A 96 13.991 -4.828 4.226 1.00 0.00 O ATOM 1552 CB GLU A 96 16.468 -4.680 2.124 1.00 0.00 C ATOM 1553 CG GLU A 96 17.222 -5.368 1.018 1.00 0.00 C ATOM 1554 CD GLU A 96 18.702 -5.327 1.262 1.00 0.00 C ATOM 1555 OE1 GLU A 96 19.201 -6.151 2.066 1.00 0.00 O ATOM 1556 OE2 GLU A 96 19.411 -4.493 0.648 1.00 0.00 O ATOM 0 H GLU A 96 15.126 -3.552 0.332 1.00 0.00 H new ATOM 0 HA GLU A 96 14.660 -5.823 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 96 16.751 -3.627 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 96 16.783 -5.105 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 96 16.892 -6.404 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 96 16.994 -4.888 0.066 1.00 0.00 H new ATOM 1563 N ASP A 97 14.260 -2.822 3.274 1.00 0.00 N ATOM 1564 CA ASP A 97 13.739 -2.040 4.411 1.00 0.00 C ATOM 1565 C ASP A 97 12.323 -2.469 4.782 1.00 0.00 C ATOM 1566 O ASP A 97 12.083 -2.944 5.894 1.00 0.00 O ATOM 1567 CB ASP A 97 13.753 -0.550 4.026 1.00 0.00 C ATOM 1568 CG ASP A 97 13.150 0.386 5.044 1.00 0.00 C ATOM 1569 OD1 ASP A 97 11.940 0.639 4.982 1.00 0.00 O ATOM 1570 OD2 ASP A 97 13.898 0.962 5.859 1.00 0.00 O ATOM 0 H ASP A 97 14.547 -2.248 2.481 1.00 0.00 H new ATOM 0 HA ASP A 97 14.372 -2.215 5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.785 -0.248 3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.217 -0.430 3.085 1.00 0.00 H new ATOM 1575 N ARG A 98 11.433 -2.426 3.807 1.00 0.00 N ATOM 1576 CA ARG A 98 10.027 -2.735 4.032 1.00 0.00 C ATOM 1577 C ARG A 98 9.830 -4.210 4.370 1.00 0.00 C ATOM 1578 O ARG A 98 9.219 -4.549 5.390 1.00 0.00 O ATOM 1579 CB ARG A 98 9.135 -2.349 2.809 1.00 0.00 C ATOM 1580 CG ARG A 98 8.830 -0.837 2.584 1.00 0.00 C ATOM 1581 CD ARG A 98 10.081 0.011 2.425 1.00 0.00 C ATOM 1582 NE ARG A 98 9.833 1.356 1.869 1.00 0.00 N ATOM 1583 CZ ARG A 98 10.671 2.394 2.026 1.00 0.00 C ATOM 1584 NH1 ARG A 98 11.573 2.381 3.000 1.00 0.00 N ATOM 1585 NH2 ARG A 98 10.567 3.463 1.248 1.00 0.00 N ATOM 0 H ARG A 98 11.659 -2.178 2.844 1.00 0.00 H new ATOM 0 HA ARG A 98 9.712 -2.132 4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.616 -2.732 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.184 -2.872 2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.209 -0.727 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.249 -0.461 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.562 0.115 3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.783 -0.514 1.777 1.00 0.00 H new ATOM 0 HE ARG A 98 8.977 1.506 1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.631 1.582 3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.208 3.170 3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.848 3.500 0.526 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.206 4.248 1.372 1.00 0.00 H new ATOM 1599 N ALA A 99 10.390 -5.078 3.547 1.00 0.00 N ATOM 1600 CA ALA A 99 10.176 -6.506 3.689 1.00 0.00 C ATOM 1601 C ALA A 99 10.867 -7.094 4.916 1.00 0.00 C ATOM 1602 O ALA A 99 10.216 -7.707 5.786 1.00 0.00 O ATOM 1603 CB ALA A 99 10.625 -7.232 2.437 1.00 0.00 C ATOM 0 H ALA A 99 10.998 -4.817 2.771 1.00 0.00 H new ATOM 0 HA ALA A 99 9.105 -6.649 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.459 -8.302 2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.054 -6.870 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.686 -7.046 2.269 1.00 0.00 H new ATOM 1609 N LYS A 100 12.161 -6.869 5.030 1.00 0.00 N ATOM 1610 CA LYS A 100 12.940 -7.520 6.065 1.00 0.00 C ATOM 1611 C LYS A 100 12.611 -6.989 7.453 1.00 0.00 C ATOM 1612 O LYS A 100 12.708 -7.734 8.424 1.00 0.00 O ATOM 1613 CB LYS A 100 14.453 -7.456 5.785 1.00 0.00 C ATOM 1614 CG LYS A 100 14.869 -7.972 4.393 1.00 0.00 C ATOM 1615 CD LYS A 100 14.442 -9.422 4.129 1.00 0.00 C ATOM 1616 CE LYS A 100 15.149 -10.422 5.029 1.00 0.00 C ATOM 1617 NZ LYS A 100 16.604 -10.487 4.773 1.00 0.00 N ATOM 0 H LYS A 100 12.693 -6.245 4.423 1.00 0.00 H new ATOM 0 HA LYS A 100 12.653 -8.571 6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.785 -6.423 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.975 -8.038 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.433 -7.328 3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 100 15.952 -7.896 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.365 -9.510 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.646 -9.671 3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.979 -10.151 6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.713 -11.410 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.041 -11.171 5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.771 -10.788 3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 17.025 -9.548 4.923 1.00 0.00 H new ATOM 1631 N ALA A 101 12.180 -5.720 7.556 1.00 0.00 N ATOM 1632 CA ALA A 101 11.823 -5.169 8.865 1.00 0.00 C ATOM 1633 C ALA A 101 10.594 -5.866 9.447 1.00 0.00 C ATOM 1634 O ALA A 101 10.468 -6.010 10.668 1.00 0.00 O ATOM 1635 CB ALA A 101 11.579 -3.674 8.796 1.00 0.00 C ATOM 0 H ALA A 101 12.074 -5.077 6.772 1.00 0.00 H new ATOM 0 HA ALA A 101 12.673 -5.350 9.523 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.317 -3.302 9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.483 -3.174 8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.762 -3.470 8.104 1.00 0.00 H new ATOM 1641 N LYS A 102 9.697 -6.306 8.585 1.00 0.00 N ATOM 1642 CA LYS A 102 8.475 -6.944 9.045 1.00 0.00 C ATOM 1643 C LYS A 102 8.658 -8.442 9.177 1.00 0.00 C ATOM 1644 O LYS A 102 8.045 -9.073 10.027 1.00 0.00 O ATOM 1645 CB LYS A 102 7.306 -6.625 8.112 1.00 0.00 C ATOM 1646 CG LYS A 102 7.088 -5.136 7.894 1.00 0.00 C ATOM 1647 CD LYS A 102 6.902 -4.380 9.205 1.00 0.00 C ATOM 1648 CE LYS A 102 6.773 -2.899 8.944 1.00 0.00 C ATOM 1649 NZ LYS A 102 6.674 -2.109 10.180 1.00 0.00 N ATOM 0 H LYS A 102 9.788 -6.235 7.572 1.00 0.00 H new ATOM 0 HA LYS A 102 8.243 -6.543 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.481 -7.103 7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.395 -7.060 8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.940 -4.721 7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.211 -4.988 7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.012 -4.744 9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.750 -4.567 9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.635 -2.560 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.890 -2.718 8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.022 -1.145 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.681 -2.068 10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.249 -2.554 10.924 1.00 0.00 H new ATOM 1663 N GLY A 103 9.522 -8.996 8.363 1.00 0.00 N ATOM 1664 CA GLY A 103 9.755 -10.425 8.398 1.00 0.00 C ATOM 1665 C GLY A 103 9.266 -11.089 7.138 1.00 0.00 C ATOM 1666 O GLY A 103 8.868 -12.265 7.136 1.00 0.00 O ATOM 0 H GLY A 103 10.073 -8.487 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.820 -10.619 8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.248 -10.858 9.260 1.00 0.00 H new ATOM 1670 N ILE A 104 9.266 -10.340 6.073 1.00 0.00 N ATOM 1671 CA ILE A 104 8.858 -10.840 4.801 1.00 0.00 C ATOM 1672 C ILE A 104 10.099 -11.280 4.067 1.00 0.00 C ATOM 1673 O ILE A 104 10.975 -10.462 3.777 1.00 0.00 O ATOM 1674 CB ILE A 104 8.121 -9.750 3.963 1.00 0.00 C ATOM 1675 CG1 ILE A 104 6.939 -9.152 4.747 1.00 0.00 C ATOM 1676 CG2 ILE A 104 7.639 -10.320 2.628 1.00 0.00 C ATOM 1677 CD1 ILE A 104 5.883 -10.157 5.143 1.00 0.00 C ATOM 0 H ILE A 104 9.551 -9.361 6.067 1.00 0.00 H new ATOM 0 HA ILE A 104 8.163 -11.667 4.945 1.00 0.00 H new ATOM 0 HB ILE A 104 8.835 -8.952 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.322 -8.671 5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.474 -8.373 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.128 -9.540 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.494 -10.682 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.950 -11.145 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.087 -9.652 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.469 -10.621 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.330 -10.924 5.776 1.00 0.00 H new ATOM 1689 N VAL A 105 10.206 -12.557 3.825 1.00 0.00 N ATOM 1690 CA VAL A 105 11.340 -13.081 3.109 1.00 0.00 C ATOM 1691 C VAL A 105 11.081 -12.977 1.619 1.00 0.00 C ATOM 1692 O VAL A 105 9.991 -13.316 1.136 1.00 0.00 O ATOM 1693 CB VAL A 105 11.701 -14.535 3.526 1.00 0.00 C ATOM 1694 CG1 VAL A 105 12.186 -14.566 4.968 1.00 0.00 C ATOM 1695 CG2 VAL A 105 10.509 -15.469 3.361 1.00 0.00 C ATOM 0 H VAL A 105 9.522 -13.257 4.113 1.00 0.00 H new ATOM 0 HA VAL A 105 12.210 -12.479 3.370 1.00 0.00 H new ATOM 0 HB VAL A 105 12.500 -14.881 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 105 12.435 -15.590 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 105 13.071 -13.937 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 105 11.400 -14.193 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 105 10.793 -16.478 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 105 9.686 -15.123 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.194 -15.476 2.318 1.00 0.00 H new ATOM 1705 N ILE A 106 12.036 -12.478 0.901 1.00 0.00 N ATOM 1706 CA ILE A 106 11.881 -12.225 -0.516 1.00 0.00 C ATOM 1707 C ILE A 106 13.151 -12.620 -1.238 1.00 0.00 C ATOM 1708 O ILE A 106 14.175 -12.872 -0.588 1.00 0.00 O ATOM 1709 CB ILE A 106 11.582 -10.704 -0.846 1.00 0.00 C ATOM 1710 CG1 ILE A 106 12.771 -9.743 -0.493 1.00 0.00 C ATOM 1711 CG2 ILE A 106 10.281 -10.224 -0.220 1.00 0.00 C ATOM 1712 CD1 ILE A 106 13.095 -9.578 0.973 1.00 0.00 C ATOM 0 H ILE A 106 12.953 -12.230 1.272 1.00 0.00 H new ATOM 0 HA ILE A 106 11.027 -12.816 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 106 11.465 -10.663 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.665 -10.106 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.548 -8.759 -0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.120 -9.176 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.452 -10.821 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.338 -10.330 0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 106 13.933 -8.891 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.226 -9.178 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.360 -10.546 1.398 1.00 0.00 H new ATOM 1724 N PRO A 107 13.114 -12.743 -2.572 1.00 0.00 N ATOM 1725 CA PRO A 107 14.327 -12.918 -3.342 1.00 0.00 C ATOM 1726 C PRO A 107 15.108 -11.604 -3.315 1.00 0.00 C ATOM 1727 O PRO A 107 14.681 -10.604 -3.914 1.00 0.00 O ATOM 1728 CB PRO A 107 13.821 -13.212 -4.768 1.00 0.00 C ATOM 1729 CG PRO A 107 12.383 -13.561 -4.607 1.00 0.00 C ATOM 1730 CD PRO A 107 11.911 -12.782 -3.425 1.00 0.00 C ATOM 0 HA PRO A 107 14.981 -13.706 -2.967 1.00 0.00 H new ATOM 0 HB2 PRO A 107 13.946 -12.345 -5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 107 14.377 -14.032 -5.222 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.814 -13.302 -5.500 1.00 0.00 H new ATOM 0 HG3 PRO A 107 12.255 -14.632 -4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.578 -11.782 -3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.074 -13.269 -2.925 1.00 0.00 H new ATOM 1738 N GLU A 108 16.181 -11.591 -2.567 1.00 0.00 N ATOM 1739 CA GLU A 108 17.004 -10.425 -2.404 1.00 0.00 C ATOM 1740 C GLU A 108 18.343 -10.630 -3.109 1.00 0.00 C ATOM 1741 O GLU A 108 18.578 -10.006 -4.161 1.00 0.00 O ATOM 1742 CB GLU A 108 17.163 -10.077 -0.896 1.00 0.00 C ATOM 1743 CG GLU A 108 17.692 -11.218 -0.019 1.00 0.00 C ATOM 1744 CD GLU A 108 17.788 -10.857 1.444 1.00 0.00 C ATOM 1745 OE1 GLU A 108 18.656 -10.049 1.819 1.00 0.00 O ATOM 1746 OE2 GLU A 108 17.021 -11.414 2.260 1.00 0.00 O ATOM 1747 OXT GLU A 108 19.130 -11.494 -2.673 1.00 0.00 O ATOM 0 H GLU A 108 16.511 -12.404 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 108 16.522 -9.567 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 108 17.838 -9.226 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 108 16.195 -9.760 -0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.039 -12.084 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 108 18.678 -11.515 -0.378 1.00 0.00 H new