USER MOD reduce.3.24.130724 H: found=0, std=0, add=359, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 352 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 22 CYS SG : rot 136:sc= 0.62 USER MOD Set 1.2: A 24 ASN : amide:sc= 0.308 K(o=0.5,f=-1.7!) USER MOD Set 1.3: A 27 CYS SG : rot -141:sc= -0.773 USER MOD Set 1.4: A 49 CYS SG : rot -145:sc= -0.225 USER MOD Set 1.5: A 52 CYS SG : rot 141:sc= 0.572 USER MOD Set 2.1: A 9 CYS SG : rot 50:sc= 0.491 USER MOD Set 2.2: A 11 CYS SG : rot -74:sc= -1.6 USER MOD Set 2.3: A 19 MET CE :methyl 171:sc= -7.09! (180deg=-5.46!) USER MOD Set 2.4: A 33 HIS :FLIP no HD1:sc= -0.911 F(o=-12,f=-9.1) USER MOD Set 2.5: A 36 CYS SG : rot 178:sc= 0.0192 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 15 SER OG : rot 45:sc= 0.935 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.51) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0147) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= 1.22 (180deg=0.737) USER MOD Single : A 48 TYR OH : rot -135:sc= 0.726 USER MOD Single : A 51 GLN : amide:sc= -6.35! C(o=-6.3!,f=-14!) USER MOD Single : A 53 THR OG1 : rot 80:sc= 0.0156 USER MOD Single : A 56 MET CE :methyl -111:sc= 0 (180deg=-1.2) USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= -4.33! (180deg=-5.81!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.390 11.568 3.687 1.00 0.00 N ATOM 60 CA GLY A 7 8.206 10.129 3.678 1.00 0.00 C ATOM 61 C GLY A 7 7.208 9.678 2.630 1.00 0.00 C ATOM 62 O GLY A 7 6.215 10.361 2.374 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.165 9.644 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.868 9.803 4.662 1.00 0.00 H new ATOM 66 N TYR A 8 7.470 8.527 2.021 1.00 0.00 N ATOM 67 CA TYR A 8 6.589 7.989 0.992 1.00 0.00 C ATOM 68 C TYR A 8 6.174 6.558 1.324 1.00 0.00 C ATOM 69 O TYR A 8 5.019 6.295 1.658 1.00 0.00 O ATOM 70 CB TYR A 8 7.279 8.028 -0.372 1.00 0.00 C ATOM 71 CG TYR A 8 7.102 9.340 -1.103 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.863 10.453 -0.767 1.00 0.00 C ATOM 73 CD2 TYR A 8 6.172 9.467 -2.128 1.00 0.00 C ATOM 74 CE1 TYR A 8 7.704 11.654 -1.431 1.00 0.00 C ATOM 75 CE2 TYR A 8 6.008 10.664 -2.798 1.00 0.00 C ATOM 76 CZ TYR A 8 6.776 11.754 -2.446 1.00 0.00 C ATOM 77 OH TYR A 8 6.614 12.948 -3.111 1.00 0.00 O ATOM 0 H TYR A 8 8.286 7.949 2.222 1.00 0.00 H new ATOM 0 HA TYR A 8 5.693 8.609 0.956 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.344 7.838 -0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.887 7.221 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.591 10.378 0.027 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.568 8.616 -2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.303 12.510 -1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.282 10.746 -3.593 1.00 0.00 H new ATOM 0 HH TYR A 8 5.922 12.849 -3.798 1.00 0.00 H new ATOM 87 N CYS A 9 7.127 5.637 1.230 1.00 0.00 N ATOM 88 CA CYS A 9 6.864 4.232 1.519 1.00 0.00 C ATOM 89 C CYS A 9 6.018 4.086 2.781 1.00 0.00 C ATOM 90 O CYS A 9 5.911 5.017 3.580 1.00 0.00 O ATOM 91 CB CYS A 9 8.180 3.469 1.683 1.00 0.00 C ATOM 92 SG CYS A 9 7.973 1.678 1.946 1.00 0.00 S ATOM 0 H CYS A 9 8.089 5.838 0.956 1.00 0.00 H new ATOM 0 HA CYS A 9 6.310 3.811 0.680 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.792 3.627 0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.728 3.888 2.527 1.00 0.00 H new ATOM 0 HG CYS A 9 7.175 1.196 1.040 1.00 0.00 H new ATOM 97 N ILE A 10 5.420 2.912 2.953 1.00 0.00 N ATOM 98 CA ILE A 10 4.586 2.644 4.117 1.00 0.00 C ATOM 99 C ILE A 10 5.353 2.889 5.412 1.00 0.00 C ATOM 100 O ILE A 10 4.757 3.071 6.474 1.00 0.00 O ATOM 101 CB ILE A 10 4.060 1.196 4.112 1.00 0.00 C ATOM 102 CG1 ILE A 10 5.195 0.220 3.792 1.00 0.00 C ATOM 103 CG2 ILE A 10 2.928 1.047 3.107 1.00 0.00 C ATOM 104 CD1 ILE A 10 4.878 -1.214 4.154 1.00 0.00 C ATOM 0 H ILE A 10 5.498 2.132 2.301 1.00 0.00 H new ATOM 0 HA ILE A 10 3.740 3.330 4.063 1.00 0.00 H new ATOM 0 HB ILE A 10 3.672 0.962 5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.422 0.276 2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.093 0.531 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.567 0.019 3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.113 1.720 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.291 1.296 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.726 -1.849 3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.680 -1.284 5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.999 -1.543 3.600 1.00 0.00 H new ATOM 116 N CYS A 11 6.678 2.895 5.316 1.00 0.00 N ATOM 117 CA CYS A 11 7.528 3.120 6.478 1.00 0.00 C ATOM 118 C CYS A 11 7.794 4.609 6.678 1.00 0.00 C ATOM 119 O CYS A 11 8.651 4.996 7.471 1.00 0.00 O ATOM 120 CB CYS A 11 8.853 2.371 6.320 1.00 0.00 C ATOM 121 SG CYS A 11 9.819 2.869 4.858 1.00 0.00 S ATOM 0 H CYS A 11 7.186 2.746 4.444 1.00 0.00 H new ATOM 0 HA CYS A 11 7.006 2.741 7.357 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.457 2.531 7.213 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.649 1.302 6.260 1.00 0.00 H new ATOM 0 HG CYS A 11 9.268 2.380 3.787 1.00 0.00 H new ATOM 126 N ASN A 12 7.053 5.439 5.952 1.00 0.00 N ATOM 127 CA ASN A 12 7.208 6.886 6.049 1.00 0.00 C ATOM 128 C ASN A 12 8.672 7.288 5.894 1.00 0.00 C ATOM 129 O ASN A 12 9.217 8.013 6.726 1.00 0.00 O ATOM 130 CB ASN A 12 6.668 7.390 7.389 1.00 0.00 C ATOM 131 CG ASN A 12 5.155 7.485 7.404 1.00 0.00 C ATOM 132 OD1 ASN A 12 4.580 8.477 6.954 1.00 0.00 O ATOM 133 ND2 ASN A 12 4.502 6.452 7.922 1.00 0.00 N ATOM 0 H ASN A 12 6.339 5.135 5.290 1.00 0.00 H new ATOM 0 HA ASN A 12 6.637 7.342 5.241 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.995 6.720 8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.093 8.371 7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.483 6.459 7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.020 5.651 8.283 1.00 0.00 H new ATOM 140 N GLN A 13 9.301 6.811 4.825 1.00 0.00 N ATOM 141 CA GLN A 13 10.701 7.120 4.562 1.00 0.00 C ATOM 142 C GLN A 13 10.878 7.692 3.159 1.00 0.00 C ATOM 143 O GLN A 13 10.041 7.482 2.281 1.00 0.00 O ATOM 144 CB GLN A 13 11.562 5.867 4.726 1.00 0.00 C ATOM 145 CG GLN A 13 11.592 5.332 6.149 1.00 0.00 C ATOM 146 CD GLN A 13 12.723 5.920 6.970 1.00 0.00 C ATOM 147 OE1 GLN A 13 13.734 5.262 7.217 1.00 0.00 O ATOM 148 NE2 GLN A 13 12.558 7.166 7.398 1.00 0.00 N ATOM 0 H GLN A 13 8.863 6.209 4.127 1.00 0.00 H new ATOM 0 HA GLN A 13 11.023 7.870 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.186 5.089 4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.581 6.092 4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.642 5.552 6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.693 4.247 6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.704 7.675 7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.285 7.614 7.955 1.00 0.00 H new ATOM 157 N VAL A 14 11.973 8.417 2.955 1.00 0.00 N ATOM 158 CA VAL A 14 12.261 9.019 1.658 1.00 0.00 C ATOM 159 C VAL A 14 12.290 7.965 0.557 1.00 0.00 C ATOM 160 O VAL A 14 12.541 6.789 0.816 1.00 0.00 O ATOM 161 CB VAL A 14 13.607 9.768 1.673 1.00 0.00 C ATOM 162 CG1 VAL A 14 13.498 11.048 2.487 1.00 0.00 C ATOM 163 CG2 VAL A 14 14.708 8.871 2.219 1.00 0.00 C ATOM 0 H VAL A 14 12.675 8.602 3.671 1.00 0.00 H new ATOM 0 HA VAL A 14 11.461 9.730 1.455 1.00 0.00 H new ATOM 0 HB VAL A 14 13.864 10.039 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.459 11.563 2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.739 11.695 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.218 10.805 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 14 15.652 9.415 2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 14 14.460 8.568 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.802 7.986 1.590 1.00 0.00 H new ATOM 173 N SER A 15 12.032 8.396 -0.674 1.00 0.00 N ATOM 174 CA SER A 15 12.025 7.489 -1.815 1.00 0.00 C ATOM 175 C SER A 15 13.443 7.233 -2.314 1.00 0.00 C ATOM 176 O SER A 15 13.967 7.980 -3.141 1.00 0.00 O ATOM 177 CB SER A 15 11.170 8.065 -2.946 1.00 0.00 C ATOM 178 OG SER A 15 11.683 9.309 -3.390 1.00 0.00 O ATOM 0 H SER A 15 11.825 9.367 -0.906 1.00 0.00 H new ATOM 0 HA SER A 15 11.596 6.541 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.141 7.362 -3.778 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.144 8.193 -2.601 1.00 0.00 H new ATOM 0 HG SER A 15 12.655 9.243 -3.495 1.00 0.00 H new ATOM 184 N TYR A 16 14.060 6.172 -1.806 1.00 0.00 N ATOM 185 CA TYR A 16 15.419 5.817 -2.198 1.00 0.00 C ATOM 186 C TYR A 16 15.498 4.356 -2.629 1.00 0.00 C ATOM 187 O TYR A 16 14.515 3.620 -2.552 1.00 0.00 O ATOM 188 CB TYR A 16 16.388 6.073 -1.042 1.00 0.00 C ATOM 189 CG TYR A 16 16.238 5.095 0.101 1.00 0.00 C ATOM 190 CD1 TYR A 16 15.301 5.306 1.104 1.00 0.00 C ATOM 191 CD2 TYR A 16 17.035 3.958 0.178 1.00 0.00 C ATOM 192 CE1 TYR A 16 15.162 4.415 2.151 1.00 0.00 C ATOM 193 CE2 TYR A 16 16.901 3.062 1.220 1.00 0.00 C ATOM 194 CZ TYR A 16 15.964 3.295 2.204 1.00 0.00 C ATOM 195 OH TYR A 16 15.827 2.404 3.245 1.00 0.00 O ATOM 0 H TYR A 16 13.641 5.543 -1.122 1.00 0.00 H new ATOM 0 HA TYR A 16 15.701 6.442 -3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 16 17.410 6.025 -1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 16 16.233 7.084 -0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.670 6.182 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.771 3.773 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 16 14.429 4.595 2.924 1.00 0.00 H new ATOM 0 HE2 TYR A 16 17.527 2.183 1.264 1.00 0.00 H new ATOM 0 HH TYR A 16 16.466 1.669 3.133 1.00 0.00 H new ATOM 205 N GLY A 17 16.678 3.942 -3.082 1.00 0.00 N ATOM 206 CA GLY A 17 16.866 2.571 -3.518 1.00 0.00 C ATOM 207 C GLY A 17 15.843 2.146 -4.553 1.00 0.00 C ATOM 208 O GLY A 17 15.141 2.983 -5.119 1.00 0.00 O ATOM 0 H GLY A 17 17.507 4.532 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.867 2.459 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.803 1.907 -2.656 1.00 0.00 H new ATOM 212 N GLU A 18 15.761 0.843 -4.802 1.00 0.00 N ATOM 213 CA GLU A 18 14.818 0.311 -5.779 1.00 0.00 C ATOM 214 C GLU A 18 13.392 0.351 -5.237 1.00 0.00 C ATOM 215 O GLU A 18 13.054 -0.367 -4.296 1.00 0.00 O ATOM 216 CB GLU A 18 15.193 -1.125 -6.153 1.00 0.00 C ATOM 217 CG GLU A 18 16.158 -1.217 -7.322 1.00 0.00 C ATOM 218 CD GLU A 18 15.985 -2.493 -8.123 1.00 0.00 C ATOM 219 OE1 GLU A 18 14.826 -2.858 -8.413 1.00 0.00 O ATOM 220 OE2 GLU A 18 17.007 -3.126 -8.459 1.00 0.00 O ATOM 0 H GLU A 18 16.335 0.137 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 18 14.867 0.936 -6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.638 -1.613 -5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.285 -1.677 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.012 -0.358 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.181 -1.163 -6.949 1.00 0.00 H new ATOM 227 N MET A 19 12.560 1.196 -5.837 1.00 0.00 N ATOM 228 CA MET A 19 11.171 1.329 -5.415 1.00 0.00 C ATOM 229 C MET A 19 10.221 0.883 -6.523 1.00 0.00 C ATOM 230 O MET A 19 10.466 1.133 -7.703 1.00 0.00 O ATOM 231 CB MET A 19 10.871 2.778 -5.024 1.00 0.00 C ATOM 232 CG MET A 19 11.644 3.250 -3.803 1.00 0.00 C ATOM 233 SD MET A 19 10.756 4.506 -2.863 1.00 0.00 S ATOM 234 CE MET A 19 9.390 3.545 -2.218 1.00 0.00 C ATOM 0 H MET A 19 12.824 1.799 -6.617 1.00 0.00 H new ATOM 0 HA MET A 19 11.018 0.686 -4.548 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.105 3.429 -5.866 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.803 2.880 -4.830 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.851 2.397 -3.157 1.00 0.00 H new ATOM 0 HG3 MET A 19 12.607 3.651 -4.120 1.00 0.00 H new ATOM 0 HE1 MET A 19 8.840 4.139 -1.488 1.00 0.00 H new ATOM 0 HE2 MET A 19 8.724 3.265 -3.035 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.773 2.645 -1.738 1.00 0.00 H new ATOM 244 N VAL A 20 9.137 0.219 -6.134 1.00 0.00 N ATOM 245 CA VAL A 20 8.150 -0.262 -7.094 1.00 0.00 C ATOM 246 C VAL A 20 6.886 0.590 -7.055 1.00 0.00 C ATOM 247 O VAL A 20 6.095 0.503 -6.118 1.00 0.00 O ATOM 248 CB VAL A 20 7.775 -1.731 -6.824 1.00 0.00 C ATOM 249 CG1 VAL A 20 7.504 -1.950 -5.343 1.00 0.00 C ATOM 250 CG2 VAL A 20 6.569 -2.134 -7.660 1.00 0.00 C ATOM 0 H VAL A 20 8.920 0.002 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 20 8.605 -0.187 -8.082 1.00 0.00 H new ATOM 0 HB VAL A 20 8.616 -2.362 -7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.241 -2.994 -5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.397 -1.702 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.680 -1.311 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.317 -3.175 -7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.721 -1.499 -7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.804 -2.017 -8.718 1.00 0.00 H new ATOM 260 N GLY A 21 6.702 1.413 -8.083 1.00 0.00 N ATOM 261 CA GLY A 21 5.532 2.269 -8.148 1.00 0.00 C ATOM 262 C GLY A 21 4.239 1.479 -8.204 1.00 0.00 C ATOM 263 O GLY A 21 4.091 0.573 -9.024 1.00 0.00 O ATOM 0 H GLY A 21 7.342 1.502 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.516 2.925 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.602 2.909 -9.028 1.00 0.00 H new ATOM 267 N CYS A 22 3.300 1.822 -7.329 1.00 0.00 N ATOM 268 CA CYS A 22 2.013 1.138 -7.279 1.00 0.00 C ATOM 269 C CYS A 22 1.221 1.377 -8.562 1.00 0.00 C ATOM 270 O CYS A 22 0.855 2.509 -8.876 1.00 0.00 O ATOM 271 CB CYS A 22 1.204 1.615 -6.071 1.00 0.00 C ATOM 272 SG CYS A 22 -0.420 0.808 -5.898 1.00 0.00 S ATOM 0 H CYS A 22 3.406 2.570 -6.644 1.00 0.00 H new ATOM 0 HA CYS A 22 2.201 0.069 -7.182 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.784 1.437 -5.166 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.056 2.692 -6.149 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.611 0.478 -4.655 1.00 0.00 H new ATOM 277 N ASP A 23 0.959 0.302 -9.297 1.00 0.00 N ATOM 278 CA ASP A 23 0.209 0.393 -10.544 1.00 0.00 C ATOM 279 C ASP A 23 -0.952 1.373 -10.410 1.00 0.00 C ATOM 280 O ASP A 23 -1.244 2.135 -11.330 1.00 0.00 O ATOM 281 CB ASP A 23 -0.315 -0.986 -10.951 1.00 0.00 C ATOM 282 CG ASP A 23 -0.941 -0.983 -12.331 1.00 0.00 C ATOM 283 OD1 ASP A 23 -0.187 -1.029 -13.325 1.00 0.00 O ATOM 284 OD2 ASP A 23 -2.186 -0.933 -12.418 1.00 0.00 O ATOM 0 H ASP A 23 1.255 -0.643 -9.051 1.00 0.00 H new ATOM 0 HA ASP A 23 0.883 0.760 -11.318 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.505 -1.704 -10.929 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.052 -1.321 -10.221 1.00 0.00 H new ATOM 289 N ASN A 24 -1.612 1.345 -9.257 1.00 0.00 N ATOM 290 CA ASN A 24 -2.743 2.230 -9.002 1.00 0.00 C ATOM 291 C ASN A 24 -2.276 3.671 -8.820 1.00 0.00 C ATOM 292 O ASN A 24 -1.778 4.043 -7.758 1.00 0.00 O ATOM 293 CB ASN A 24 -3.509 1.770 -7.760 1.00 0.00 C ATOM 294 CG ASN A 24 -4.900 2.369 -7.683 1.00 0.00 C ATOM 295 OD1 ASN A 24 -5.496 2.715 -8.703 1.00 0.00 O ATOM 296 ND2 ASN A 24 -5.423 2.494 -6.469 1.00 0.00 N ATOM 0 H ASN A 24 -1.383 0.719 -8.485 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.406 2.188 -9.866 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.585 0.683 -7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.948 2.046 -6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.356 2.891 -6.354 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.892 2.193 -5.652 1.00 0.00 H new ATOM 303 N GLN A 25 -2.442 4.478 -9.864 1.00 0.00 N ATOM 304 CA GLN A 25 -2.037 5.878 -9.819 1.00 0.00 C ATOM 305 C GLN A 25 -2.776 6.622 -8.711 1.00 0.00 C ATOM 306 O GLN A 25 -2.338 7.683 -8.265 1.00 0.00 O ATOM 307 CB GLN A 25 -2.303 6.551 -11.167 1.00 0.00 C ATOM 308 CG GLN A 25 -1.238 6.260 -12.212 1.00 0.00 C ATOM 309 CD GLN A 25 -1.535 5.010 -13.016 1.00 0.00 C ATOM 310 OE1 GLN A 25 -0.691 4.122 -13.139 1.00 0.00 O ATOM 311 NE2 GLN A 25 -2.740 4.934 -13.568 1.00 0.00 N ATOM 0 H GLN A 25 -2.854 4.186 -10.750 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.968 5.915 -9.607 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.271 6.220 -11.544 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.370 7.629 -11.019 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.156 7.111 -12.888 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.272 6.150 -11.720 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.408 5.694 -13.440 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.997 4.116 -14.120 1.00 0.00 H new ATOM 320 N ASP A 26 -3.896 6.060 -8.273 1.00 0.00 N ATOM 321 CA ASP A 26 -4.695 6.671 -7.216 1.00 0.00 C ATOM 322 C ASP A 26 -4.029 6.489 -5.856 1.00 0.00 C ATOM 323 O ASP A 26 -4.483 7.037 -4.852 1.00 0.00 O ATOM 324 CB ASP A 26 -6.100 6.064 -7.195 1.00 0.00 C ATOM 325 CG ASP A 26 -6.823 6.232 -8.517 1.00 0.00 C ATOM 326 OD1 ASP A 26 -6.140 6.354 -9.556 1.00 0.00 O ATOM 327 OD2 ASP A 26 -8.071 6.239 -8.513 1.00 0.00 O ATOM 0 H ASP A 26 -4.272 5.183 -8.633 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.771 7.739 -7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.031 5.003 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.684 6.533 -6.403 1.00 0.00 H new ATOM 332 N CYS A 27 -2.949 5.714 -5.832 1.00 0.00 N ATOM 333 CA CYS A 27 -2.220 5.458 -4.596 1.00 0.00 C ATOM 334 C CYS A 27 -1.635 6.750 -4.031 1.00 0.00 C ATOM 335 O CYS A 27 -1.041 7.556 -4.747 1.00 0.00 O ATOM 336 CB CYS A 27 -1.101 4.443 -4.840 1.00 0.00 C ATOM 337 SG CYS A 27 -0.584 3.533 -3.349 1.00 0.00 S ATOM 0 H CYS A 27 -2.560 5.253 -6.654 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.921 5.049 -3.869 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.432 3.727 -5.593 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.237 4.963 -5.253 1.00 0.00 H new ATOM 0 HG CYS A 27 0.708 3.386 -3.356 1.00 0.00 H new ATOM 342 N PRO A 28 -1.806 6.951 -2.716 1.00 0.00 N ATOM 343 CA PRO A 28 -1.303 8.142 -2.026 1.00 0.00 C ATOM 344 C PRO A 28 0.219 8.156 -1.929 1.00 0.00 C ATOM 345 O PRO A 28 0.822 9.189 -1.634 1.00 0.00 O ATOM 346 CB PRO A 28 -1.926 8.034 -0.632 1.00 0.00 C ATOM 347 CG PRO A 28 -2.176 6.578 -0.440 1.00 0.00 C ATOM 348 CD PRO A 28 -2.504 6.032 -1.802 1.00 0.00 C ATOM 0 HA PRO A 28 -1.563 9.059 -2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.255 8.425 0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.851 8.606 -0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.299 6.083 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.998 6.411 0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.154 5.006 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.579 6.024 -1.984 1.00 0.00 H new ATOM 356 N ILE A 29 0.834 7.005 -2.180 1.00 0.00 N ATOM 357 CA ILE A 29 2.285 6.887 -2.123 1.00 0.00 C ATOM 358 C ILE A 29 2.870 6.617 -3.505 1.00 0.00 C ATOM 359 O ILE A 29 3.817 7.279 -3.929 1.00 0.00 O ATOM 360 CB ILE A 29 2.721 5.762 -1.165 1.00 0.00 C ATOM 361 CG1 ILE A 29 1.946 5.854 0.151 1.00 0.00 C ATOM 362 CG2 ILE A 29 4.219 5.835 -0.910 1.00 0.00 C ATOM 363 CD1 ILE A 29 1.970 4.575 0.957 1.00 0.00 C ATOM 0 H ILE A 29 0.350 6.141 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 29 2.664 7.839 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 29 2.497 4.802 -1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.363 6.661 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.911 6.119 -0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.512 5.034 -0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.754 5.726 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.465 6.798 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.401 4.714 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.526 3.769 0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.001 4.319 1.203 1.00 0.00 H new ATOM 375 N GLU A 30 2.297 5.642 -4.204 1.00 0.00 N ATOM 376 CA GLU A 30 2.762 5.286 -5.540 1.00 0.00 C ATOM 377 C GLU A 30 4.236 4.895 -5.517 1.00 0.00 C ATOM 378 O GLU A 30 4.934 5.002 -6.525 1.00 0.00 O ATOM 379 CB GLU A 30 2.547 6.453 -6.506 1.00 0.00 C ATOM 380 CG GLU A 30 1.230 7.182 -6.298 1.00 0.00 C ATOM 381 CD GLU A 30 0.994 8.265 -7.332 1.00 0.00 C ATOM 382 OE1 GLU A 30 1.261 8.014 -8.526 1.00 0.00 O ATOM 383 OE2 GLU A 30 0.543 9.364 -6.948 1.00 0.00 O ATOM 0 H GLU A 30 1.511 5.085 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 30 2.183 4.429 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.367 7.162 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.588 6.079 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.411 6.464 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.218 7.626 -5.303 1.00 0.00 H new ATOM 390 N TRP A 31 4.703 4.441 -4.359 1.00 0.00 N ATOM 391 CA TRP A 31 6.095 4.034 -4.204 1.00 0.00 C ATOM 392 C TRP A 31 6.282 3.205 -2.938 1.00 0.00 C ATOM 393 O TRP A 31 5.876 3.615 -1.850 1.00 0.00 O ATOM 394 CB TRP A 31 7.006 5.262 -4.163 1.00 0.00 C ATOM 395 CG TRP A 31 7.025 6.031 -5.450 1.00 0.00 C ATOM 396 CD1 TRP A 31 6.326 7.169 -5.735 1.00 0.00 C ATOM 397 CD2 TRP A 31 7.779 5.715 -6.625 1.00 0.00 C ATOM 398 NE1 TRP A 31 6.600 7.580 -7.017 1.00 0.00 N ATOM 399 CE2 TRP A 31 7.489 6.705 -7.584 1.00 0.00 C ATOM 400 CE3 TRP A 31 8.672 4.694 -6.960 1.00 0.00 C ATOM 401 CZ2 TRP A 31 8.060 6.701 -8.854 1.00 0.00 C ATOM 402 CZ3 TRP A 31 9.237 4.691 -8.221 1.00 0.00 C ATOM 403 CH2 TRP A 31 8.931 5.689 -9.155 1.00 0.00 C ATOM 0 H TRP A 31 4.139 4.346 -3.515 1.00 0.00 H new ATOM 0 HA TRP A 31 6.365 3.419 -5.062 1.00 0.00 H new ATOM 0 HB2 TRP A 31 6.679 5.921 -3.359 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.021 4.945 -3.923 1.00 0.00 H new ATOM 0 HD1 TRP A 31 5.656 7.672 -5.053 1.00 0.00 H new ATOM 0 HE1 TRP A 31 6.206 8.403 -7.473 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.916 3.921 -6.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.824 7.469 -9.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.927 3.905 -8.491 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.391 5.659 -10.132 1.00 0.00 H new ATOM 414 N PHE A 32 6.899 2.037 -3.086 1.00 0.00 N ATOM 415 CA PHE A 32 7.138 1.150 -1.953 1.00 0.00 C ATOM 416 C PHE A 32 8.474 0.427 -2.102 1.00 0.00 C ATOM 417 O PHE A 32 8.860 0.032 -3.203 1.00 0.00 O ATOM 418 CB PHE A 32 6.004 0.131 -1.828 1.00 0.00 C ATOM 419 CG PHE A 32 4.648 0.758 -1.682 1.00 0.00 C ATOM 420 CD1 PHE A 32 4.033 1.369 -2.763 1.00 0.00 C ATOM 421 CD2 PHE A 32 3.987 0.738 -0.464 1.00 0.00 C ATOM 422 CE1 PHE A 32 2.784 1.947 -2.633 1.00 0.00 C ATOM 423 CE2 PHE A 32 2.738 1.314 -0.328 1.00 0.00 C ATOM 424 CZ PHE A 32 2.136 1.920 -1.413 1.00 0.00 C ATOM 0 H PHE A 32 7.242 1.683 -3.979 1.00 0.00 H new ATOM 0 HA PHE A 32 7.172 1.757 -1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.005 -0.512 -2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.194 -0.509 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.536 1.394 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.453 0.267 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.315 2.419 -3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.233 1.290 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.161 2.372 -1.308 1.00 0.00 H new ATOM 434 N HIS A 33 9.175 0.257 -0.986 1.00 0.00 N ATOM 435 CA HIS A 33 10.468 -0.418 -0.991 1.00 0.00 C ATOM 436 C HIS A 33 10.300 -1.911 -1.259 1.00 0.00 C ATOM 437 O HIS A 33 9.278 -2.503 -0.909 1.00 0.00 O ATOM 438 CB HIS A 33 11.184 -0.205 0.343 1.00 0.00 C ATOM 439 CG HIS A 33 11.394 1.237 0.686 1.00 0.00 C ATOM 440 ND1 HIS A 33 11.545 2.323 -0.107 1.00 0.00 N flip ATOM 441 CD2 HIS A 33 11.473 1.699 1.983 1.00 0.00 C flip ATOM 442 CE1 HIS A 33 11.709 3.410 0.716 1.00 0.00 C flip ATOM 443 NE2 HIS A 33 11.661 3.006 1.973 1.00 0.00 N flip ATOM 0 H HIS A 33 8.870 0.577 -0.067 1.00 0.00 H new ATOM 0 HA HIS A 33 11.071 0.012 -1.791 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.605 -0.678 1.136 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.151 -0.707 0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.393 1.087 2.869 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.854 4.429 0.389 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.753 3.602 2.796 1.00 0.00 H new ATOM 451 N TYR A 34 11.308 -2.513 -1.881 1.00 0.00 N ATOM 452 CA TYR A 34 11.270 -3.935 -2.198 1.00 0.00 C ATOM 453 C TYR A 34 11.329 -4.779 -0.928 1.00 0.00 C ATOM 454 O TYR A 34 10.752 -5.863 -0.862 1.00 0.00 O ATOM 455 CB TYR A 34 12.431 -4.304 -3.123 1.00 0.00 C ATOM 456 CG TYR A 34 12.193 -3.934 -4.570 1.00 0.00 C ATOM 457 CD1 TYR A 34 11.537 -2.757 -4.908 1.00 0.00 C ATOM 458 CD2 TYR A 34 12.626 -4.762 -5.599 1.00 0.00 C ATOM 459 CE1 TYR A 34 11.317 -2.416 -6.229 1.00 0.00 C ATOM 460 CE2 TYR A 34 12.412 -4.428 -6.922 1.00 0.00 C ATOM 461 CZ TYR A 34 11.756 -3.254 -7.232 1.00 0.00 C ATOM 462 OH TYR A 34 11.540 -2.917 -8.549 1.00 0.00 O ATOM 0 H TYR A 34 12.161 -2.038 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 34 10.329 -4.142 -2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 34 13.336 -3.806 -2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.611 -5.377 -3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.193 -2.097 -4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.138 -5.682 -5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 34 10.804 -1.498 -6.474 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.756 -5.082 -7.710 1.00 0.00 H new ATOM 0 HH TYR A 34 11.912 -3.613 -9.130 1.00 0.00 H new ATOM 472 N GLY A 35 12.032 -4.270 0.080 1.00 0.00 N ATOM 473 CA GLY A 35 12.155 -4.988 1.335 1.00 0.00 C ATOM 474 C GLY A 35 10.941 -4.810 2.226 1.00 0.00 C ATOM 475 O GLY A 35 10.617 -5.686 3.028 1.00 0.00 O ATOM 0 H GLY A 35 12.518 -3.374 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.299 -6.049 1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.043 -4.641 1.863 1.00 0.00 H new ATOM 479 N CYS A 36 10.269 -3.672 2.087 1.00 0.00 N ATOM 480 CA CYS A 36 9.086 -3.379 2.887 1.00 0.00 C ATOM 481 C CYS A 36 7.882 -4.170 2.386 1.00 0.00 C ATOM 482 O CYS A 36 7.025 -4.581 3.169 1.00 0.00 O ATOM 483 CB CYS A 36 8.778 -1.881 2.849 1.00 0.00 C ATOM 484 SG CYS A 36 9.800 -0.883 3.979 1.00 0.00 S ATOM 0 H CYS A 36 10.524 -2.937 1.427 1.00 0.00 H new ATOM 0 HA CYS A 36 9.290 -3.675 3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.920 -1.517 1.831 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.727 -1.731 3.098 1.00 0.00 H new ATOM 0 HG CYS A 36 9.504 0.375 3.835 1.00 0.00 H new ATOM 489 N VAL A 37 7.823 -4.381 1.074 1.00 0.00 N ATOM 490 CA VAL A 37 6.725 -5.125 0.468 1.00 0.00 C ATOM 491 C VAL A 37 7.101 -6.587 0.256 1.00 0.00 C ATOM 492 O VAL A 37 6.234 -7.453 0.149 1.00 0.00 O ATOM 493 CB VAL A 37 6.310 -4.512 -0.883 1.00 0.00 C ATOM 494 CG1 VAL A 37 5.913 -3.054 -0.708 1.00 0.00 C ATOM 495 CG2 VAL A 37 7.436 -4.649 -1.897 1.00 0.00 C ATOM 0 H VAL A 37 8.523 -4.047 0.411 1.00 0.00 H new ATOM 0 HA VAL A 37 5.884 -5.066 1.159 1.00 0.00 H new ATOM 0 HB VAL A 37 5.444 -5.056 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.623 -2.638 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.073 -2.986 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.758 -2.492 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.126 -4.211 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.322 -4.130 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.668 -5.704 -2.043 1.00 0.00 H new ATOM 505 N GLY A 38 8.403 -6.854 0.197 1.00 0.00 N ATOM 506 CA GLY A 38 8.872 -8.213 -0.002 1.00 0.00 C ATOM 507 C GLY A 38 8.981 -8.580 -1.469 1.00 0.00 C ATOM 508 O GLY A 38 8.142 -9.309 -1.998 1.00 0.00 O ATOM 0 H GLY A 38 9.140 -6.154 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.846 -8.331 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.191 -8.905 0.493 1.00 0.00 H new ATOM 512 N LEU A 39 10.017 -8.073 -2.128 1.00 0.00 N ATOM 513 CA LEU A 39 10.233 -8.350 -3.544 1.00 0.00 C ATOM 514 C LEU A 39 11.720 -8.499 -3.849 1.00 0.00 C ATOM 515 O LEU A 39 12.488 -7.544 -3.732 1.00 0.00 O ATOM 516 CB LEU A 39 9.635 -7.232 -4.400 1.00 0.00 C ATOM 517 CG LEU A 39 8.114 -7.247 -4.557 1.00 0.00 C ATOM 518 CD1 LEU A 39 7.635 -5.978 -5.244 1.00 0.00 C ATOM 519 CD2 LEU A 39 7.671 -8.477 -5.338 1.00 0.00 C ATOM 0 H LEU A 39 10.721 -7.468 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 39 9.735 -9.289 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.926 -6.275 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.083 -7.282 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 39 7.666 -7.289 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.550 -6.007 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.920 -5.111 -4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.091 -5.904 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.586 -8.472 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.129 -8.464 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.981 -9.377 -4.806 1.00 0.00 H new ATOM 531 N THR A 40 12.119 -9.704 -4.244 1.00 0.00 N ATOM 532 CA THR A 40 13.514 -9.979 -4.567 1.00 0.00 C ATOM 533 C THR A 40 13.921 -9.297 -5.868 1.00 0.00 C ATOM 534 O THR A 40 15.063 -8.863 -6.020 1.00 0.00 O ATOM 535 CB THR A 40 13.774 -11.492 -4.691 1.00 0.00 C ATOM 536 OG1 THR A 40 13.036 -12.027 -5.796 1.00 0.00 O ATOM 537 CG2 THR A 40 13.379 -12.216 -3.413 1.00 0.00 C ATOM 0 H THR A 40 11.496 -10.505 -4.348 1.00 0.00 H new ATOM 0 HA THR A 40 14.113 -9.581 -3.748 1.00 0.00 H new ATOM 0 HB THR A 40 14.840 -11.642 -4.860 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.208 -12.989 -5.869 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.572 -13.283 -3.525 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.963 -11.827 -2.579 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.318 -12.057 -3.218 1.00 0.00 H new ATOM 545 N GLU A 41 12.980 -9.204 -6.802 1.00 0.00 N ATOM 546 CA GLU A 41 13.243 -8.573 -8.090 1.00 0.00 C ATOM 547 C GLU A 41 11.980 -7.921 -8.645 1.00 0.00 C ATOM 548 O GLU A 41 10.922 -7.961 -8.018 1.00 0.00 O ATOM 549 CB GLU A 41 13.779 -9.603 -9.087 1.00 0.00 C ATOM 550 CG GLU A 41 12.693 -10.444 -9.736 1.00 0.00 C ATOM 551 CD GLU A 41 13.175 -11.834 -10.107 1.00 0.00 C ATOM 552 OE1 GLU A 41 14.377 -11.984 -10.409 1.00 0.00 O ATOM 553 OE2 GLU A 41 12.349 -12.770 -10.094 1.00 0.00 O ATOM 0 H GLU A 41 12.030 -9.557 -6.691 1.00 0.00 H new ATOM 0 HA GLU A 41 13.994 -7.798 -7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.340 -9.085 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.480 -10.262 -8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.847 -10.527 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.333 -9.937 -10.631 1.00 0.00 H new ATOM 560 N ALA A 42 12.100 -7.321 -9.825 1.00 0.00 N ATOM 561 CA ALA A 42 10.969 -6.662 -10.465 1.00 0.00 C ATOM 562 C ALA A 42 9.884 -7.668 -10.834 1.00 0.00 C ATOM 563 O ALA A 42 10.141 -8.688 -11.474 1.00 0.00 O ATOM 564 CB ALA A 42 11.430 -5.904 -11.701 1.00 0.00 C ATOM 0 H ALA A 42 12.969 -7.278 -10.357 1.00 0.00 H new ATOM 0 HA ALA A 42 10.544 -5.953 -9.754 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.575 -5.417 -12.169 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.164 -5.151 -11.413 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.882 -6.600 -12.407 1.00 0.00 H new ATOM 570 N PRO A 43 8.642 -7.378 -10.421 1.00 0.00 N ATOM 571 CA PRO A 43 7.493 -8.246 -10.696 1.00 0.00 C ATOM 572 C PRO A 43 7.107 -8.246 -12.171 1.00 0.00 C ATOM 573 O PRO A 43 6.685 -7.225 -12.714 1.00 0.00 O ATOM 574 CB PRO A 43 6.374 -7.632 -9.851 1.00 0.00 C ATOM 575 CG PRO A 43 6.759 -6.201 -9.694 1.00 0.00 C ATOM 576 CD PRO A 43 8.263 -6.180 -9.653 1.00 0.00 C ATOM 0 HA PRO A 43 7.703 -9.288 -10.457 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.407 -7.730 -10.344 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.291 -8.128 -8.884 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.383 -5.602 -10.523 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.338 -5.781 -8.781 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.665 -5.271 -10.102 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.638 -6.223 -8.630 1.00 0.00 H new ATOM 584 N LYS A 44 7.255 -9.399 -12.816 1.00 0.00 N ATOM 585 CA LYS A 44 6.921 -9.533 -14.229 1.00 0.00 C ATOM 586 C LYS A 44 5.536 -8.963 -14.518 1.00 0.00 C ATOM 587 O LYS A 44 5.390 -8.032 -15.309 1.00 0.00 O ATOM 588 CB LYS A 44 6.976 -11.004 -14.649 1.00 0.00 C ATOM 589 CG LYS A 44 8.382 -11.504 -14.930 1.00 0.00 C ATOM 590 CD LYS A 44 9.055 -12.016 -13.667 1.00 0.00 C ATOM 591 CE LYS A 44 10.389 -12.677 -13.975 1.00 0.00 C ATOM 592 NZ LYS A 44 11.389 -11.697 -14.485 1.00 0.00 N ATOM 0 H LYS A 44 7.604 -10.254 -12.382 1.00 0.00 H new ATOM 0 HA LYS A 44 7.654 -8.968 -14.805 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.533 -11.615 -13.862 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.365 -11.141 -15.541 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.344 -12.302 -15.672 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.977 -10.698 -15.359 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.209 -11.188 -12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.400 -12.731 -13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.775 -13.154 -13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.242 -13.464 -14.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.300 -12.176 -14.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.056 -11.297 -15.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.511 -10.932 -13.791 1.00 0.00 H new ATOM 606 N GLY A 45 4.521 -9.527 -13.869 1.00 0.00 N ATOM 607 CA GLY A 45 3.162 -9.060 -14.069 1.00 0.00 C ATOM 608 C GLY A 45 2.892 -7.743 -13.367 1.00 0.00 C ATOM 609 O GLY A 45 3.814 -6.972 -13.102 1.00 0.00 O ATOM 0 H GLY A 45 4.616 -10.299 -13.209 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.974 -8.944 -15.136 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.465 -9.813 -13.702 1.00 0.00 H new ATOM 613 N LYS A 46 1.624 -7.484 -13.066 1.00 0.00 N ATOM 614 CA LYS A 46 1.234 -6.252 -12.391 1.00 0.00 C ATOM 615 C LYS A 46 1.335 -6.405 -10.877 1.00 0.00 C ATOM 616 O LYS A 46 0.924 -7.422 -10.318 1.00 0.00 O ATOM 617 CB LYS A 46 -0.194 -5.863 -12.781 1.00 0.00 C ATOM 618 CG LYS A 46 -0.303 -5.263 -14.172 1.00 0.00 C ATOM 619 CD LYS A 46 0.023 -3.779 -14.166 1.00 0.00 C ATOM 620 CE LYS A 46 1.488 -3.529 -14.489 1.00 0.00 C ATOM 621 NZ LYS A 46 1.721 -2.138 -14.966 1.00 0.00 N ATOM 0 H LYS A 46 0.849 -8.111 -13.279 1.00 0.00 H new ATOM 0 HA LYS A 46 1.918 -5.463 -12.705 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.830 -6.746 -12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.578 -5.147 -12.054 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.376 -5.783 -14.848 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.312 -5.413 -14.556 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.604 -3.265 -14.894 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.212 -3.358 -13.189 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.092 -3.714 -13.601 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.817 -4.235 -15.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.737 -1.920 -14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.395 -2.049 -15.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.195 -1.472 -14.365 1.00 0.00 H new ATOM 635 N TRP A 47 1.883 -5.390 -10.220 1.00 0.00 N ATOM 636 CA TRP A 47 2.037 -5.412 -8.769 1.00 0.00 C ATOM 637 C TRP A 47 1.237 -4.288 -8.120 1.00 0.00 C ATOM 638 O TRP A 47 1.184 -3.172 -8.639 1.00 0.00 O ATOM 639 CB TRP A 47 3.513 -5.290 -8.390 1.00 0.00 C ATOM 640 CG TRP A 47 3.745 -5.250 -6.910 1.00 0.00 C ATOM 641 CD1 TRP A 47 3.994 -6.315 -6.091 1.00 0.00 C ATOM 642 CD2 TRP A 47 3.748 -4.088 -6.074 1.00 0.00 C ATOM 643 NE1 TRP A 47 4.151 -5.884 -4.795 1.00 0.00 N ATOM 644 CE2 TRP A 47 4.006 -4.522 -4.758 1.00 0.00 C ATOM 645 CE3 TRP A 47 3.560 -2.724 -6.308 1.00 0.00 C ATOM 646 CZ2 TRP A 47 4.078 -3.639 -3.684 1.00 0.00 C ATOM 647 CZ3 TRP A 47 3.632 -1.849 -5.241 1.00 0.00 C ATOM 648 CH2 TRP A 47 3.890 -2.309 -3.942 1.00 0.00 C ATOM 0 H TRP A 47 2.228 -4.541 -10.668 1.00 0.00 H new ATOM 0 HA TRP A 47 1.653 -6.364 -8.402 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.060 -6.132 -8.814 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.922 -4.385 -8.839 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.058 -7.344 -6.414 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.344 -6.481 -3.991 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.362 -2.360 -7.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.275 -3.992 -2.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.487 -0.792 -5.411 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.941 -1.599 -3.129 1.00 0.00 H new ATOM 659 N TYR A 48 0.618 -4.588 -6.984 1.00 0.00 N ATOM 660 CA TYR A 48 -0.180 -3.602 -6.265 1.00 0.00 C ATOM 661 C TYR A 48 0.171 -3.593 -4.781 1.00 0.00 C ATOM 662 O TYR A 48 0.103 -4.623 -4.108 1.00 0.00 O ATOM 663 CB TYR A 48 -1.671 -3.892 -6.446 1.00 0.00 C ATOM 664 CG TYR A 48 -2.141 -3.777 -7.878 1.00 0.00 C ATOM 665 CD1 TYR A 48 -2.102 -4.871 -8.734 1.00 0.00 C ATOM 666 CD2 TYR A 48 -2.625 -2.573 -8.376 1.00 0.00 C ATOM 667 CE1 TYR A 48 -2.530 -4.769 -10.043 1.00 0.00 C ATOM 668 CE2 TYR A 48 -3.057 -2.463 -9.684 1.00 0.00 C ATOM 669 CZ TYR A 48 -3.006 -3.563 -10.514 1.00 0.00 C ATOM 670 OH TYR A 48 -3.435 -3.458 -11.817 1.00 0.00 O ATOM 0 H TYR A 48 0.653 -5.506 -6.541 1.00 0.00 H new ATOM 0 HA TYR A 48 0.045 -2.619 -6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.884 -4.897 -6.082 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.244 -3.201 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.731 -5.817 -8.369 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.664 -1.709 -7.730 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.492 -5.629 -10.695 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.433 -1.521 -10.054 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.083 -2.633 -12.212 1.00 0.00 H new ATOM 680 N CYS A 49 0.548 -2.424 -4.275 1.00 0.00 N ATOM 681 CA CYS A 49 0.910 -2.278 -2.871 1.00 0.00 C ATOM 682 C CYS A 49 -0.133 -2.931 -1.969 1.00 0.00 C ATOM 683 O CYS A 49 -1.296 -3.095 -2.340 1.00 0.00 O ATOM 684 CB CYS A 49 1.058 -0.798 -2.511 1.00 0.00 C ATOM 685 SG CYS A 49 -0.525 0.061 -2.238 1.00 0.00 S ATOM 0 H CYS A 49 0.611 -1.563 -4.818 1.00 0.00 H new ATOM 0 HA CYS A 49 1.865 -2.780 -2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.666 -0.713 -1.610 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.600 -0.293 -3.310 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.434 1.285 -2.667 1.00 0.00 H new ATOM 690 N PRO A 50 0.289 -3.312 -0.754 1.00 0.00 N ATOM 691 CA PRO A 50 -0.593 -3.952 0.226 1.00 0.00 C ATOM 692 C PRO A 50 -1.635 -2.988 0.784 1.00 0.00 C ATOM 693 O PRO A 50 -2.575 -3.402 1.462 1.00 0.00 O ATOM 694 CB PRO A 50 0.369 -4.397 1.331 1.00 0.00 C ATOM 695 CG PRO A 50 1.530 -3.472 1.218 1.00 0.00 C ATOM 696 CD PRO A 50 1.661 -3.147 -0.245 1.00 0.00 C ATOM 0 HA PRO A 50 -1.167 -4.768 -0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.098 -4.328 2.314 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.675 -5.434 1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.367 -2.568 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.439 -3.939 1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.028 -2.132 -0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.359 -3.819 -0.745 1.00 0.00 H new ATOM 704 N GLN A 51 -1.462 -1.703 0.493 1.00 0.00 N ATOM 705 CA GLN A 51 -2.388 -0.682 0.967 1.00 0.00 C ATOM 706 C GLN A 51 -3.623 -0.612 0.075 1.00 0.00 C ATOM 707 O GLN A 51 -4.717 -0.282 0.535 1.00 0.00 O ATOM 708 CB GLN A 51 -1.698 0.683 1.009 1.00 0.00 C ATOM 709 CG GLN A 51 -1.036 0.988 2.344 1.00 0.00 C ATOM 710 CD GLN A 51 -0.390 2.359 2.374 1.00 0.00 C ATOM 711 OE1 GLN A 51 0.752 2.510 2.809 1.00 0.00 O ATOM 712 NE2 GLN A 51 -1.118 3.368 1.911 1.00 0.00 N ATOM 0 H GLN A 51 -0.690 -1.344 -0.068 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.704 -0.953 1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.946 0.725 0.221 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.432 1.459 0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.780 0.924 3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.281 0.230 2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.060 3.198 1.560 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.735 4.313 1.907 1.00 0.00 H new ATOM 721 N CYS A 52 -3.442 -0.924 -1.204 1.00 0.00 N ATOM 722 CA CYS A 52 -4.541 -0.896 -2.162 1.00 0.00 C ATOM 723 C CYS A 52 -5.272 -2.235 -2.190 1.00 0.00 C ATOM 724 O CYS A 52 -6.477 -2.303 -1.946 1.00 0.00 O ATOM 725 CB CYS A 52 -4.019 -0.557 -3.559 1.00 0.00 C ATOM 726 SG CYS A 52 -3.617 1.204 -3.797 1.00 0.00 S ATOM 0 H CYS A 52 -2.544 -1.199 -1.601 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.244 -0.125 -1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.127 -1.152 -3.756 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.767 -0.850 -4.296 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.531 1.310 -4.504 1.00 0.00 H new ATOM 731 N THR A 53 -4.534 -3.299 -2.490 1.00 0.00 N ATOM 732 CA THR A 53 -5.110 -4.636 -2.552 1.00 0.00 C ATOM 733 C THR A 53 -6.035 -4.891 -1.367 1.00 0.00 C ATOM 734 O THR A 53 -7.012 -5.631 -1.479 1.00 0.00 O ATOM 735 CB THR A 53 -4.015 -5.720 -2.576 1.00 0.00 C ATOM 736 OG1 THR A 53 -3.121 -5.488 -3.670 1.00 0.00 O ATOM 737 CG2 THR A 53 -4.629 -7.106 -2.700 1.00 0.00 C ATOM 0 H THR A 53 -3.535 -3.260 -2.694 1.00 0.00 H new ATOM 0 HA THR A 53 -5.684 -4.690 -3.477 1.00 0.00 H new ATOM 0 HB THR A 53 -3.462 -5.668 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.480 -4.788 -3.426 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.837 -7.855 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.286 -7.290 -1.850 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.204 -7.168 -3.624 1.00 0.00 H new ATOM 745 N ALA A 54 -5.721 -4.274 -0.233 1.00 0.00 N ATOM 746 CA ALA A 54 -6.526 -4.432 0.971 1.00 0.00 C ATOM 747 C ALA A 54 -7.835 -3.658 0.862 1.00 0.00 C ATOM 748 O ALA A 54 -8.884 -4.128 1.303 1.00 0.00 O ATOM 749 CB ALA A 54 -5.742 -3.978 2.194 1.00 0.00 C ATOM 0 H ALA A 54 -4.914 -3.660 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.768 -5.489 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.356 -4.102 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.837 -4.578 2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.471 -2.928 2.083 1.00 0.00 H new ATOM 755 N ALA A 55 -7.767 -2.469 0.273 1.00 0.00 N ATOM 756 CA ALA A 55 -8.947 -1.630 0.106 1.00 0.00 C ATOM 757 C ALA A 55 -9.841 -2.158 -1.011 1.00 0.00 C ATOM 758 O ALA A 55 -11.060 -2.238 -0.857 1.00 0.00 O ATOM 759 CB ALA A 55 -8.537 -0.193 -0.179 1.00 0.00 C ATOM 0 H ALA A 55 -6.907 -2.065 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.516 -1.656 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.428 0.422 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.945 0.188 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.944 -0.158 -1.093 1.00 0.00 H new ATOM 765 N MET A 56 -9.228 -2.517 -2.134 1.00 0.00 N ATOM 766 CA MET A 56 -9.971 -3.038 -3.276 1.00 0.00 C ATOM 767 C MET A 56 -10.702 -4.325 -2.908 1.00 0.00 C ATOM 768 O MET A 56 -11.827 -4.560 -3.350 1.00 0.00 O ATOM 769 CB MET A 56 -9.026 -3.293 -4.452 1.00 0.00 C ATOM 770 CG MET A 56 -8.375 -2.031 -4.994 1.00 0.00 C ATOM 771 SD MET A 56 -7.668 -2.264 -6.636 1.00 0.00 S ATOM 772 CE MET A 56 -6.020 -2.829 -6.218 1.00 0.00 C ATOM 0 H MET A 56 -8.220 -2.457 -2.278 1.00 0.00 H new ATOM 0 HA MET A 56 -10.710 -2.292 -3.568 1.00 0.00 H new ATOM 0 HB2 MET A 56 -8.247 -3.987 -4.137 1.00 0.00 H new ATOM 0 HB3 MET A 56 -9.581 -3.779 -5.254 1.00 0.00 H new ATOM 0 HG2 MET A 56 -9.116 -1.232 -5.032 1.00 0.00 H new ATOM 0 HG3 MET A 56 -7.592 -1.707 -4.308 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.293 -2.062 -6.486 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.963 -3.024 -5.147 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.800 -3.745 -6.766 1.00 0.00 H new ATOM 782 N LYS A 57 -10.057 -5.155 -2.096 1.00 0.00 N ATOM 783 CA LYS A 57 -10.646 -6.418 -1.667 1.00 0.00 C ATOM 784 C LYS A 57 -11.902 -6.178 -0.835 1.00 0.00 C ATOM 785 O LYS A 57 -12.940 -6.797 -1.069 1.00 0.00 O ATOM 786 CB LYS A 57 -9.632 -7.228 -0.856 1.00 0.00 C ATOM 787 CG LYS A 57 -8.783 -8.161 -1.702 1.00 0.00 C ATOM 788 CD LYS A 57 -8.239 -9.318 -0.881 1.00 0.00 C ATOM 789 CE LYS A 57 -6.899 -8.973 -0.250 1.00 0.00 C ATOM 790 NZ LYS A 57 -5.764 -9.235 -1.179 1.00 0.00 N ATOM 0 H LYS A 57 -9.125 -4.976 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.923 -6.982 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.977 -6.542 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.164 -7.814 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.379 -8.549 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.955 -7.604 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.953 -9.579 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.127 -10.196 -1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.895 -7.923 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.765 -9.557 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.909 -8.761 -0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.593 -10.259 -1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.997 -8.868 -2.124 1.00 0.00 H new