USER MOD reduce.3.24.130724 H: found=0, std=0, add=359, rem=0, adj=16 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 134:sc= 0.751 USER MOD Set 1.2: A 24 ASN : amide:sc= -0.153 K(o=0.24,f=-1.1) USER MOD Set 1.3: A 27 CYS SG : rot -144:sc= -0.775 USER MOD Set 1.4: A 49 CYS SG : rot -147:sc= -0.177 USER MOD Set 1.5: A 52 CYS SG : rot 140:sc= 0.597 USER MOD Set 2.1: A 9 CYS SG : rot 50:sc= 0.458 USER MOD Set 2.2: A 11 CYS SG : rot -73:sc= -1.01 USER MOD Set 2.3: A 19 MET CE :methyl 175:sc= -6.43! (180deg=-4.66!) USER MOD Set 2.4: A 33 HIS :FLIP no HD1:sc= -1.41 F(o=-12,f=-8.4) USER MOD Set 2.5: A 36 CYS SG : rot -179:sc= 0.0333 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.075 K(o=-0.075,f=-1.9!) USER MOD Single : A 13 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 15 SER OG : rot 87:sc= 0.0638 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 108:sc= 0.588 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 70:sc= 1.28 USER MOD Single : A 51 GLN : amide:sc= -3.99! C(o=-4!,f=-12!) USER MOD Single : A 53 THR OG1 : rot 84:sc= 0.0939 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.607 11.466 3.677 1.00 0.00 N ATOM 60 CA GLY A 7 8.324 10.043 3.726 1.00 0.00 C ATOM 61 C GLY A 7 7.320 9.615 2.674 1.00 0.00 C ATOM 62 O GLY A 7 6.279 10.251 2.504 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.251 9.486 3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.943 9.785 4.714 1.00 0.00 H new ATOM 66 N TYR A 8 7.632 8.536 1.965 1.00 0.00 N ATOM 67 CA TYR A 8 6.751 8.027 0.921 1.00 0.00 C ATOM 68 C TYR A 8 6.297 6.605 1.237 1.00 0.00 C ATOM 69 O TYR A 8 5.122 6.364 1.517 1.00 0.00 O ATOM 70 CB TYR A 8 7.461 8.057 -0.434 1.00 0.00 C ATOM 71 CG TYR A 8 7.370 9.394 -1.135 1.00 0.00 C ATOM 72 CD1 TYR A 8 8.200 10.448 -0.773 1.00 0.00 C ATOM 73 CD2 TYR A 8 6.454 9.603 -2.159 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.121 11.671 -1.410 1.00 0.00 C ATOM 75 CE2 TYR A 8 6.369 10.823 -2.802 1.00 0.00 C ATOM 76 CZ TYR A 8 7.204 11.853 -2.424 1.00 0.00 C ATOM 77 OH TYR A 8 7.120 13.070 -3.062 1.00 0.00 O ATOM 0 H TYR A 8 8.488 7.997 2.094 1.00 0.00 H new ATOM 0 HA TYR A 8 5.872 8.670 0.878 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.511 7.802 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.031 7.289 -1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.919 10.308 0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.798 8.799 -2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.773 12.480 -1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.652 10.969 -3.597 1.00 0.00 H new ATOM 0 HH TYR A 8 6.425 13.031 -3.752 1.00 0.00 H new ATOM 87 N CYS A 9 7.236 5.667 1.192 1.00 0.00 N ATOM 88 CA CYS A 9 6.935 4.268 1.473 1.00 0.00 C ATOM 89 C CYS A 9 6.085 4.138 2.734 1.00 0.00 C ATOM 90 O CYS A 9 6.000 5.068 3.536 1.00 0.00 O ATOM 91 CB CYS A 9 8.230 3.469 1.633 1.00 0.00 C ATOM 92 SG CYS A 9 7.973 1.689 1.926 1.00 0.00 S ATOM 0 H CYS A 9 8.213 5.850 0.963 1.00 0.00 H new ATOM 0 HA CYS A 9 6.370 3.867 0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.836 3.595 0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.801 3.885 2.464 1.00 0.00 H new ATOM 0 HG CYS A 9 7.150 1.217 1.037 1.00 0.00 H new ATOM 97 N ILE A 10 5.459 2.978 2.901 1.00 0.00 N ATOM 98 CA ILE A 10 4.616 2.726 4.063 1.00 0.00 C ATOM 99 C ILE A 10 5.378 2.981 5.360 1.00 0.00 C ATOM 100 O ILE A 10 4.780 3.252 6.401 1.00 0.00 O ATOM 101 CB ILE A 10 4.084 1.281 4.070 1.00 0.00 C ATOM 102 CG1 ILE A 10 5.219 0.295 3.785 1.00 0.00 C ATOM 103 CG2 ILE A 10 2.968 1.123 3.048 1.00 0.00 C ATOM 104 CD1 ILE A 10 4.917 -1.119 4.231 1.00 0.00 C ATOM 0 H ILE A 10 5.520 2.198 2.246 1.00 0.00 H new ATOM 0 HA ILE A 10 3.773 3.414 3.997 1.00 0.00 H new ATOM 0 HB ILE A 10 3.679 1.063 5.058 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.428 0.293 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.124 0.640 4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.602 0.096 3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.152 1.803 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.349 1.356 2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.765 -1.763 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.737 -1.131 5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.031 -1.483 3.711 1.00 0.00 H new ATOM 116 N CYS A 11 6.702 2.895 5.288 1.00 0.00 N ATOM 117 CA CYS A 11 7.548 3.117 6.455 1.00 0.00 C ATOM 118 C CYS A 11 7.824 4.605 6.651 1.00 0.00 C ATOM 119 O CYS A 11 8.673 4.989 7.453 1.00 0.00 O ATOM 120 CB CYS A 11 8.868 2.358 6.306 1.00 0.00 C ATOM 121 SG CYS A 11 9.843 2.840 4.845 1.00 0.00 S ATOM 0 H CYS A 11 7.213 2.673 4.433 1.00 0.00 H new ATOM 0 HA CYS A 11 7.019 2.744 7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.470 2.519 7.200 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.656 1.290 6.252 1.00 0.00 H new ATOM 0 HG CYS A 11 9.283 2.363 3.773 1.00 0.00 H new ATOM 126 N ASN A 12 7.099 5.438 5.910 1.00 0.00 N ATOM 127 CA ASN A 12 7.266 6.884 6.002 1.00 0.00 C ATOM 128 C ASN A 12 8.738 7.270 5.893 1.00 0.00 C ATOM 129 O ASN A 12 9.264 7.993 6.738 1.00 0.00 O ATOM 130 CB ASN A 12 6.688 7.402 7.321 1.00 0.00 C ATOM 131 CG ASN A 12 5.176 7.514 7.285 1.00 0.00 C ATOM 132 OD1 ASN A 12 4.560 7.410 6.224 1.00 0.00 O ATOM 133 ND2 ASN A 12 4.571 7.728 8.448 1.00 0.00 N ATOM 0 H ASN A 12 6.391 5.137 5.240 1.00 0.00 H new ATOM 0 HA ASN A 12 6.727 7.340 5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.981 6.733 8.130 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.117 8.379 7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.555 7.813 8.486 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.122 7.807 9.303 1.00 0.00 H new ATOM 140 N GLN A 13 9.395 6.783 4.845 1.00 0.00 N ATOM 141 CA GLN A 13 10.806 7.077 4.626 1.00 0.00 C ATOM 142 C GLN A 13 11.033 7.645 3.229 1.00 0.00 C ATOM 143 O GLN A 13 10.204 7.473 2.335 1.00 0.00 O ATOM 144 CB GLN A 13 11.648 5.815 4.819 1.00 0.00 C ATOM 145 CG GLN A 13 11.651 5.298 6.248 1.00 0.00 C ATOM 146 CD GLN A 13 12.774 5.886 7.079 1.00 0.00 C ATOM 147 OE1 GLN A 13 13.810 5.252 7.281 1.00 0.00 O ATOM 148 NE2 GLN A 13 12.575 7.105 7.567 1.00 0.00 N ATOM 0 H GLN A 13 8.973 6.184 4.135 1.00 0.00 H new ATOM 0 HA GLN A 13 11.113 7.825 5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.272 5.033 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.674 6.023 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.696 5.533 6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.742 4.212 6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.701 7.595 7.375 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.296 7.551 8.134 1.00 0.00 H new ATOM 157 N VAL A 14 12.161 8.324 3.047 1.00 0.00 N ATOM 158 CA VAL A 14 12.498 8.917 1.758 1.00 0.00 C ATOM 159 C VAL A 14 12.493 7.867 0.652 1.00 0.00 C ATOM 160 O VAL A 14 12.680 6.678 0.909 1.00 0.00 O ATOM 161 CB VAL A 14 13.878 9.599 1.797 1.00 0.00 C ATOM 162 CG1 VAL A 14 13.829 10.856 2.652 1.00 0.00 C ATOM 163 CG2 VAL A 14 14.934 8.634 2.313 1.00 0.00 C ATOM 0 H VAL A 14 12.857 8.477 3.776 1.00 0.00 H new ATOM 0 HA VAL A 14 11.736 9.668 1.546 1.00 0.00 H new ATOM 0 HB VAL A 14 14.149 9.890 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.813 11.324 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.103 11.553 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.536 10.593 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 14 15.903 9.132 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 14 14.670 8.311 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.986 7.766 1.655 1.00 0.00 H new ATOM 173 N SER A 15 12.277 8.316 -0.581 1.00 0.00 N ATOM 174 CA SER A 15 12.244 7.415 -1.727 1.00 0.00 C ATOM 175 C SER A 15 13.656 7.104 -2.214 1.00 0.00 C ATOM 176 O SER A 15 14.210 7.823 -3.046 1.00 0.00 O ATOM 177 CB SER A 15 11.424 8.030 -2.863 1.00 0.00 C ATOM 178 OG SER A 15 10.035 7.922 -2.606 1.00 0.00 O ATOM 0 H SER A 15 12.122 9.298 -0.811 1.00 0.00 H new ATOM 0 HA SER A 15 11.773 6.484 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.694 9.079 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.663 7.529 -3.801 1.00 0.00 H new ATOM 0 HG SER A 15 9.741 8.688 -2.071 1.00 0.00 H new ATOM 184 N TYR A 16 14.231 6.027 -1.690 1.00 0.00 N ATOM 185 CA TYR A 16 15.580 5.621 -2.069 1.00 0.00 C ATOM 186 C TYR A 16 15.608 4.157 -2.496 1.00 0.00 C ATOM 187 O TYR A 16 14.603 3.453 -2.406 1.00 0.00 O ATOM 188 CB TYR A 16 16.547 5.843 -0.905 1.00 0.00 C ATOM 189 CG TYR A 16 16.384 4.844 0.218 1.00 0.00 C ATOM 190 CD1 TYR A 16 15.478 5.067 1.247 1.00 0.00 C ATOM 191 CD2 TYR A 16 17.134 3.674 0.248 1.00 0.00 C ATOM 192 CE1 TYR A 16 15.326 4.157 2.275 1.00 0.00 C ATOM 193 CE2 TYR A 16 16.988 2.758 1.271 1.00 0.00 C ATOM 194 CZ TYR A 16 16.083 3.004 2.283 1.00 0.00 C ATOM 195 OH TYR A 16 15.933 2.094 3.304 1.00 0.00 O ATOM 0 H TYR A 16 13.785 5.420 -1.002 1.00 0.00 H new ATOM 0 HA TYR A 16 15.893 6.233 -2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 16 17.570 5.793 -1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 16 16.401 6.848 -0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.882 5.968 1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.843 3.478 -0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 16 14.618 4.347 3.068 1.00 0.00 H new ATOM 0 HE2 TYR A 16 17.579 1.854 1.279 1.00 0.00 H new ATOM 0 HH TYR A 16 16.539 1.337 3.159 1.00 0.00 H new ATOM 205 N GLY A 17 16.768 3.705 -2.961 1.00 0.00 N ATOM 206 CA GLY A 17 16.908 2.327 -3.395 1.00 0.00 C ATOM 207 C GLY A 17 15.896 1.949 -4.458 1.00 0.00 C ATOM 208 O GLY A 17 15.323 2.818 -5.116 1.00 0.00 O ATOM 0 H GLY A 17 17.614 4.269 -3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.914 2.172 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.793 1.665 -2.536 1.00 0.00 H new ATOM 212 N GLU A 18 15.676 0.649 -4.629 1.00 0.00 N ATOM 213 CA GLU A 18 14.728 0.159 -5.623 1.00 0.00 C ATOM 214 C GLU A 18 13.296 0.266 -5.107 1.00 0.00 C ATOM 215 O GLU A 18 12.915 -0.417 -4.156 1.00 0.00 O ATOM 216 CB GLU A 18 15.043 -1.293 -5.989 1.00 0.00 C ATOM 217 CG GLU A 18 16.038 -1.430 -7.129 1.00 0.00 C ATOM 218 CD GLU A 18 15.817 -2.687 -7.948 1.00 0.00 C ATOM 219 OE1 GLU A 18 15.750 -3.781 -7.350 1.00 0.00 O ATOM 220 OE2 GLU A 18 15.709 -2.575 -9.187 1.00 0.00 O ATOM 0 H GLU A 18 16.141 -0.083 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 18 14.822 0.779 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.437 -1.803 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.117 -1.799 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.962 -0.559 -7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.050 -1.438 -6.724 1.00 0.00 H new ATOM 227 N MET A 19 12.507 1.127 -5.741 1.00 0.00 N ATOM 228 CA MET A 19 11.117 1.323 -5.347 1.00 0.00 C ATOM 229 C MET A 19 10.170 0.905 -6.467 1.00 0.00 C ATOM 230 O MET A 19 10.401 1.213 -7.636 1.00 0.00 O ATOM 231 CB MET A 19 10.871 2.786 -4.975 1.00 0.00 C ATOM 232 CG MET A 19 11.695 3.259 -3.788 1.00 0.00 C ATOM 233 SD MET A 19 10.848 4.514 -2.810 1.00 0.00 S ATOM 234 CE MET A 19 9.458 3.574 -2.183 1.00 0.00 C ATOM 0 H MET A 19 12.807 1.700 -6.530 1.00 0.00 H new ATOM 0 HA MET A 19 10.921 0.697 -4.477 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.097 3.414 -5.837 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.813 2.922 -4.750 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.931 2.406 -3.152 1.00 0.00 H new ATOM 0 HG3 MET A 19 12.643 3.661 -4.146 1.00 0.00 H new ATOM 0 HE1 MET A 19 8.887 4.189 -1.487 1.00 0.00 H new ATOM 0 HE2 MET A 19 8.817 3.275 -3.013 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.823 2.686 -1.667 1.00 0.00 H new ATOM 244 N VAL A 20 9.103 0.200 -6.103 1.00 0.00 N ATOM 245 CA VAL A 20 8.121 -0.260 -7.077 1.00 0.00 C ATOM 246 C VAL A 20 6.896 0.648 -7.093 1.00 0.00 C ATOM 247 O VAL A 20 6.100 0.650 -6.155 1.00 0.00 O ATOM 248 CB VAL A 20 7.673 -1.704 -6.784 1.00 0.00 C ATOM 249 CG1 VAL A 20 6.976 -1.783 -5.434 1.00 0.00 C ATOM 250 CG2 VAL A 20 6.766 -2.215 -7.893 1.00 0.00 C ATOM 0 H VAL A 20 8.897 -0.065 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 20 8.605 -0.229 -8.053 1.00 0.00 H new ATOM 0 HB VAL A 20 8.557 -2.341 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.666 -2.811 -5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.662 -1.460 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.100 -1.135 -5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.459 -3.237 -7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.884 -1.578 -7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.304 -2.197 -8.841 1.00 0.00 H new ATOM 260 N GLY A 21 6.751 1.419 -8.167 1.00 0.00 N ATOM 261 CA GLY A 21 5.620 2.320 -8.285 1.00 0.00 C ATOM 262 C GLY A 21 4.297 1.584 -8.361 1.00 0.00 C ATOM 263 O GLY A 21 4.086 0.763 -9.254 1.00 0.00 O ATOM 0 H GLY A 21 7.396 1.435 -8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.607 2.996 -7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.741 2.936 -9.176 1.00 0.00 H new ATOM 267 N CYS A 22 3.404 1.876 -7.421 1.00 0.00 N ATOM 268 CA CYS A 22 2.096 1.235 -7.383 1.00 0.00 C ATOM 269 C CYS A 22 1.341 1.462 -8.690 1.00 0.00 C ATOM 270 O CYS A 22 1.097 2.601 -9.088 1.00 0.00 O ATOM 271 CB CYS A 22 1.276 1.771 -6.208 1.00 0.00 C ATOM 272 SG CYS A 22 -0.328 0.939 -5.980 1.00 0.00 S ATOM 0 H CYS A 22 3.563 2.553 -6.675 1.00 0.00 H new ATOM 0 HA CYS A 22 2.248 0.164 -7.253 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.860 1.667 -5.294 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.103 2.837 -6.356 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.489 0.644 -4.724 1.00 0.00 H new ATOM 277 N ASP A 23 0.973 0.370 -9.352 1.00 0.00 N ATOM 278 CA ASP A 23 0.245 0.449 -10.613 1.00 0.00 C ATOM 279 C ASP A 23 -0.929 1.418 -10.502 1.00 0.00 C ATOM 280 O ASP A 23 -1.258 2.120 -11.457 1.00 0.00 O ATOM 281 CB ASP A 23 -0.258 -0.936 -11.023 1.00 0.00 C ATOM 282 CG ASP A 23 -0.687 -0.988 -12.476 1.00 0.00 C ATOM 283 OD1 ASP A 23 -0.034 -0.329 -13.312 1.00 0.00 O ATOM 284 OD2 ASP A 23 -1.677 -1.688 -12.778 1.00 0.00 O ATOM 0 H ASP A 23 1.167 -0.580 -9.036 1.00 0.00 H new ATOM 0 HA ASP A 23 0.928 0.820 -11.377 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.529 -1.671 -10.853 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.099 -1.217 -10.388 1.00 0.00 H new ATOM 289 N ASN A 24 -1.556 1.449 -9.331 1.00 0.00 N ATOM 290 CA ASN A 24 -2.694 2.330 -9.096 1.00 0.00 C ATOM 291 C ASN A 24 -2.232 3.766 -8.869 1.00 0.00 C ATOM 292 O ASN A 24 -1.782 4.118 -7.779 1.00 0.00 O ATOM 293 CB ASN A 24 -3.501 1.845 -7.890 1.00 0.00 C ATOM 294 CG ASN A 24 -4.867 2.499 -7.808 1.00 0.00 C ATOM 295 OD1 ASN A 24 -5.486 2.798 -8.829 1.00 0.00 O ATOM 296 ND2 ASN A 24 -5.343 2.723 -6.589 1.00 0.00 N ATOM 0 H ASN A 24 -1.295 0.874 -8.530 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.329 2.307 -9.982 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.622 0.763 -7.948 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.945 2.055 -6.976 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.257 3.160 -6.471 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.795 2.458 -5.771 1.00 0.00 H new ATOM 303 N GLN A 25 -2.348 4.590 -9.906 1.00 0.00 N ATOM 304 CA GLN A 25 -1.942 5.988 -9.819 1.00 0.00 C ATOM 305 C GLN A 25 -2.706 6.709 -8.713 1.00 0.00 C ATOM 306 O GLN A 25 -2.262 7.740 -8.209 1.00 0.00 O ATOM 307 CB GLN A 25 -2.172 6.692 -11.157 1.00 0.00 C ATOM 308 CG GLN A 25 -1.079 6.427 -12.180 1.00 0.00 C ATOM 309 CD GLN A 25 -1.086 7.432 -13.315 1.00 0.00 C ATOM 310 OE1 GLN A 25 -0.975 8.638 -13.093 1.00 0.00 O ATOM 311 NE2 GLN A 25 -1.217 6.939 -14.541 1.00 0.00 N ATOM 0 H GLN A 25 -2.719 4.314 -10.815 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.879 6.017 -9.579 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.129 6.369 -11.568 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.245 7.766 -10.985 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.109 6.452 -11.684 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.203 5.424 -12.587 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.306 5.932 -14.679 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.229 7.567 -15.345 1.00 0.00 H new ATOM 320 N ASP A 26 -3.857 6.160 -8.342 1.00 0.00 N ATOM 321 CA ASP A 26 -4.684 6.751 -7.296 1.00 0.00 C ATOM 322 C ASP A 26 -4.022 6.598 -5.930 1.00 0.00 C ATOM 323 O ASP A 26 -4.493 7.149 -4.934 1.00 0.00 O ATOM 324 CB ASP A 26 -6.068 6.100 -7.281 1.00 0.00 C ATOM 325 CG ASP A 26 -6.955 6.601 -8.403 1.00 0.00 C ATOM 326 OD1 ASP A 26 -6.850 6.066 -9.527 1.00 0.00 O ATOM 327 OD2 ASP A 26 -7.756 7.527 -8.157 1.00 0.00 O ATOM 0 H ASP A 26 -4.239 5.307 -8.750 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.794 7.814 -7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.959 5.019 -7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.550 6.300 -6.324 1.00 0.00 H new ATOM 332 N CYS A 27 -2.927 5.846 -5.889 1.00 0.00 N ATOM 333 CA CYS A 27 -2.200 5.620 -4.646 1.00 0.00 C ATOM 334 C CYS A 27 -1.589 6.919 -4.128 1.00 0.00 C ATOM 335 O CYS A 27 -0.988 7.692 -4.874 1.00 0.00 O ATOM 336 CB CYS A 27 -1.102 4.575 -4.856 1.00 0.00 C ATOM 337 SG CYS A 27 -0.656 3.652 -3.350 1.00 0.00 S ATOM 0 H CYS A 27 -2.524 5.383 -6.703 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.907 5.251 -3.903 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.429 3.868 -5.619 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.212 5.072 -5.242 1.00 0.00 H new ATOM 0 HG CYS A 27 0.621 3.410 -3.352 1.00 0.00 H new ATOM 342 N PRO A 28 -1.747 7.166 -2.819 1.00 0.00 N ATOM 343 CA PRO A 28 -1.218 8.370 -2.171 1.00 0.00 C ATOM 344 C PRO A 28 0.305 8.361 -2.087 1.00 0.00 C ATOM 345 O PRO A 28 0.930 9.401 -1.876 1.00 0.00 O ATOM 346 CB PRO A 28 -1.831 8.318 -0.770 1.00 0.00 C ATOM 347 CG PRO A 28 -2.104 6.873 -0.530 1.00 0.00 C ATOM 348 CD PRO A 28 -2.453 6.288 -1.870 1.00 0.00 C ATOM 0 HA PRO A 28 -1.467 9.274 -2.726 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.147 8.721 -0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.746 8.908 -0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.232 6.377 -0.103 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.923 6.743 0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.121 5.253 -1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.529 6.292 -2.043 1.00 0.00 H new ATOM 356 N ILE A 29 0.895 7.182 -2.253 1.00 0.00 N ATOM 357 CA ILE A 29 2.345 7.040 -2.197 1.00 0.00 C ATOM 358 C ILE A 29 2.924 6.764 -3.580 1.00 0.00 C ATOM 359 O ILE A 29 3.841 7.451 -4.028 1.00 0.00 O ATOM 360 CB ILE A 29 2.763 5.906 -1.242 1.00 0.00 C ATOM 361 CG1 ILE A 29 2.027 6.037 0.093 1.00 0.00 C ATOM 362 CG2 ILE A 29 4.269 5.923 -1.027 1.00 0.00 C ATOM 363 CD1 ILE A 29 2.198 4.837 0.997 1.00 0.00 C ATOM 0 H ILE A 29 0.392 6.312 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 29 2.740 7.984 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 29 2.491 4.952 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.386 6.926 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.965 6.188 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.549 5.116 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.775 5.787 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.564 6.879 -0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.649 4.999 1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.812 3.948 0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.256 4.698 1.220 1.00 0.00 H new ATOM 375 N GLU A 30 2.380 5.755 -4.253 1.00 0.00 N ATOM 376 CA GLU A 30 2.843 5.389 -5.587 1.00 0.00 C ATOM 377 C GLU A 30 4.309 4.966 -5.557 1.00 0.00 C ATOM 378 O GLU A 30 5.013 5.059 -6.562 1.00 0.00 O ATOM 379 CB GLU A 30 2.658 6.560 -6.554 1.00 0.00 C ATOM 380 CG GLU A 30 1.291 7.217 -6.460 1.00 0.00 C ATOM 381 CD GLU A 30 1.010 8.147 -7.624 1.00 0.00 C ATOM 382 OE1 GLU A 30 1.121 7.695 -8.784 1.00 0.00 O ATOM 383 OE2 GLU A 30 0.679 9.325 -7.377 1.00 0.00 O ATOM 0 H GLU A 30 1.619 5.177 -3.897 1.00 0.00 H new ATOM 0 HA GLU A 30 2.246 4.545 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.426 7.308 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.812 6.206 -7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.523 6.445 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.225 7.778 -5.528 1.00 0.00 H new ATOM 390 N TRP A 31 4.761 4.503 -4.397 1.00 0.00 N ATOM 391 CA TRP A 31 6.143 4.066 -4.236 1.00 0.00 C ATOM 392 C TRP A 31 6.308 3.238 -2.966 1.00 0.00 C ATOM 393 O TRP A 31 5.895 3.654 -1.884 1.00 0.00 O ATOM 394 CB TRP A 31 7.080 5.275 -4.196 1.00 0.00 C ATOM 395 CG TRP A 31 7.117 6.040 -5.484 1.00 0.00 C ATOM 396 CD1 TRP A 31 6.422 7.177 -5.782 1.00 0.00 C ATOM 397 CD2 TRP A 31 7.888 5.722 -6.647 1.00 0.00 C ATOM 398 NE1 TRP A 31 6.715 7.586 -7.060 1.00 0.00 N ATOM 399 CE2 TRP A 31 7.612 6.710 -7.613 1.00 0.00 C ATOM 400 CE3 TRP A 31 8.787 4.701 -6.967 1.00 0.00 C ATOM 401 CZ2 TRP A 31 8.202 6.704 -8.874 1.00 0.00 C ATOM 402 CZ3 TRP A 31 9.371 4.695 -8.220 1.00 0.00 C ATOM 403 CH2 TRP A 31 9.077 5.691 -9.160 1.00 0.00 C ATOM 0 H TRP A 31 4.191 4.421 -3.555 1.00 0.00 H new ATOM 0 HA TRP A 31 6.402 3.441 -5.091 1.00 0.00 H new ATOM 0 HB2 TRP A 31 6.766 5.943 -3.394 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.087 4.937 -3.953 1.00 0.00 H new ATOM 0 HD1 TRP A 31 5.742 7.681 -5.111 1.00 0.00 H new ATOM 0 HE1 TRP A 31 6.328 8.408 -7.523 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.021 3.930 -6.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.977 7.471 -9.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.065 3.909 -8.478 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.550 5.659 -10.130 1.00 0.00 H new ATOM 414 N PHE A 32 6.913 2.063 -3.106 1.00 0.00 N ATOM 415 CA PHE A 32 7.131 1.175 -1.969 1.00 0.00 C ATOM 416 C PHE A 32 8.444 0.413 -2.119 1.00 0.00 C ATOM 417 O PHE A 32 8.808 -0.010 -3.216 1.00 0.00 O ATOM 418 CB PHE A 32 5.968 0.190 -1.835 1.00 0.00 C ATOM 419 CG PHE A 32 4.627 0.856 -1.716 1.00 0.00 C ATOM 420 CD1 PHE A 32 4.074 1.525 -2.796 1.00 0.00 C ATOM 421 CD2 PHE A 32 3.921 0.815 -0.525 1.00 0.00 C ATOM 422 CE1 PHE A 32 2.840 2.139 -2.691 1.00 0.00 C ATOM 423 CE2 PHE A 32 2.687 1.427 -0.414 1.00 0.00 C ATOM 424 CZ PHE A 32 2.146 2.091 -1.497 1.00 0.00 C ATOM 0 H PHE A 32 7.261 1.703 -3.995 1.00 0.00 H new ATOM 0 HA PHE A 32 7.187 1.785 -1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.961 -0.471 -2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.132 -0.436 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.613 1.567 -3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.340 0.299 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.419 2.655 -3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.146 1.386 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.183 2.572 -1.411 1.00 0.00 H new ATOM 434 N HIS A 33 9.152 0.242 -1.007 1.00 0.00 N ATOM 435 CA HIS A 33 10.425 -0.469 -1.013 1.00 0.00 C ATOM 436 C HIS A 33 10.214 -1.958 -1.267 1.00 0.00 C ATOM 437 O HIS A 33 9.190 -2.525 -0.884 1.00 0.00 O ATOM 438 CB HIS A 33 11.154 -0.265 0.316 1.00 0.00 C ATOM 439 CG HIS A 33 11.373 1.175 0.664 1.00 0.00 C ATOM 440 ND1 HIS A 33 11.513 2.266 -0.126 1.00 0.00 N flip ATOM 441 CD2 HIS A 33 11.472 1.629 1.962 1.00 0.00 C flip ATOM 442 CE1 HIS A 33 11.692 3.347 0.701 1.00 0.00 C flip ATOM 443 NE2 HIS A 33 11.662 2.937 1.956 1.00 0.00 N flip ATOM 0 H HIS A 33 8.866 0.586 -0.091 1.00 0.00 H new ATOM 0 HA HIS A 33 11.036 -0.063 -1.820 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.580 -0.739 1.112 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.119 -0.771 0.273 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.405 1.012 2.846 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.834 4.368 0.378 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.767 3.529 2.780 1.00 0.00 H new ATOM 451 N TYR A 34 11.189 -2.587 -1.915 1.00 0.00 N ATOM 452 CA TYR A 34 11.109 -4.009 -2.224 1.00 0.00 C ATOM 453 C TYR A 34 11.135 -4.846 -0.948 1.00 0.00 C ATOM 454 O TYR A 34 10.500 -5.896 -0.868 1.00 0.00 O ATOM 455 CB TYR A 34 12.263 -4.420 -3.140 1.00 0.00 C ATOM 456 CG TYR A 34 12.048 -4.045 -4.589 1.00 0.00 C ATOM 457 CD1 TYR A 34 11.596 -2.779 -4.940 1.00 0.00 C ATOM 458 CD2 TYR A 34 12.298 -4.957 -5.607 1.00 0.00 C ATOM 459 CE1 TYR A 34 11.398 -2.432 -6.263 1.00 0.00 C ATOM 460 CE2 TYR A 34 12.104 -4.619 -6.933 1.00 0.00 C ATOM 461 CZ TYR A 34 11.654 -3.355 -7.255 1.00 0.00 C ATOM 462 OH TYR A 34 11.459 -3.014 -8.574 1.00 0.00 O ATOM 0 H TYR A 34 12.044 -2.133 -2.236 1.00 0.00 H new ATOM 0 HA TYR A 34 10.165 -4.190 -2.737 1.00 0.00 H new ATOM 0 HB2 TYR A 34 13.182 -3.953 -2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.406 -5.498 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.396 -2.053 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.650 -5.947 -5.358 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.045 -1.444 -6.518 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.303 -5.340 -7.712 1.00 0.00 H new ATOM 0 HH TYR A 34 11.686 -3.777 -9.146 1.00 0.00 H new ATOM 472 N GLY A 35 11.876 -4.370 0.048 1.00 0.00 N ATOM 473 CA GLY A 35 11.972 -5.085 1.308 1.00 0.00 C ATOM 474 C GLY A 35 10.759 -4.869 2.191 1.00 0.00 C ATOM 475 O GLY A 35 10.394 -5.741 2.981 1.00 0.00 O ATOM 0 H GLY A 35 12.411 -3.503 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.088 -6.150 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.867 -4.760 1.839 1.00 0.00 H new ATOM 479 N CYS A 36 10.132 -3.705 2.059 1.00 0.00 N ATOM 480 CA CYS A 36 8.954 -3.376 2.853 1.00 0.00 C ATOM 481 C CYS A 36 7.728 -4.128 2.343 1.00 0.00 C ATOM 482 O CYS A 36 6.864 -4.529 3.124 1.00 0.00 O ATOM 483 CB CYS A 36 8.694 -1.868 2.816 1.00 0.00 C ATOM 484 SG CYS A 36 9.734 -0.906 3.960 1.00 0.00 S ATOM 0 H CYS A 36 10.420 -2.973 1.409 1.00 0.00 H new ATOM 0 HA CYS A 36 9.143 -3.680 3.883 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.859 -1.507 1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.646 -1.685 3.053 1.00 0.00 H new ATOM 0 HG CYS A 36 9.426 0.354 3.871 1.00 0.00 H new ATOM 489 N VAL A 37 7.659 -4.315 1.029 1.00 0.00 N ATOM 490 CA VAL A 37 6.540 -5.020 0.415 1.00 0.00 C ATOM 491 C VAL A 37 6.864 -6.495 0.213 1.00 0.00 C ATOM 492 O VAL A 37 5.968 -7.335 0.143 1.00 0.00 O ATOM 493 CB VAL A 37 6.162 -4.398 -0.942 1.00 0.00 C ATOM 494 CG1 VAL A 37 5.764 -2.940 -0.769 1.00 0.00 C ATOM 495 CG2 VAL A 37 7.312 -4.531 -1.928 1.00 0.00 C ATOM 0 H VAL A 37 8.365 -3.988 0.369 1.00 0.00 H new ATOM 0 HA VAL A 37 5.695 -4.927 1.097 1.00 0.00 H new ATOM 0 HB VAL A 37 5.305 -4.939 -1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.500 -2.517 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.907 -2.874 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.599 -2.383 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.027 -4.086 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.189 -4.017 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.545 -5.586 -2.075 1.00 0.00 H new ATOM 505 N GLY A 38 8.154 -6.805 0.119 1.00 0.00 N ATOM 506 CA GLY A 38 8.575 -8.180 -0.074 1.00 0.00 C ATOM 507 C GLY A 38 8.679 -8.554 -1.539 1.00 0.00 C ATOM 508 O GLY A 38 7.826 -9.268 -2.068 1.00 0.00 O ATOM 0 H GLY A 38 8.915 -6.128 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.542 -8.332 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.867 -8.846 0.419 1.00 0.00 H new ATOM 512 N LEU A 39 9.726 -8.071 -2.198 1.00 0.00 N ATOM 513 CA LEU A 39 9.938 -8.357 -3.613 1.00 0.00 C ATOM 514 C LEU A 39 11.419 -8.573 -3.909 1.00 0.00 C ATOM 515 O LEU A 39 12.239 -7.673 -3.722 1.00 0.00 O ATOM 516 CB LEU A 39 9.396 -7.213 -4.472 1.00 0.00 C ATOM 517 CG LEU A 39 7.887 -7.214 -4.716 1.00 0.00 C ATOM 518 CD1 LEU A 39 7.463 -5.949 -5.446 1.00 0.00 C ATOM 519 CD2 LEU A 39 7.475 -8.450 -5.503 1.00 0.00 C ATOM 0 H LEU A 39 10.442 -7.479 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 39 9.400 -9.273 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.667 -6.270 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.900 -7.240 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 39 7.382 -7.238 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.386 -5.968 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.723 -5.078 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.976 -5.894 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.398 -8.434 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.989 -8.457 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.743 -9.345 -4.942 1.00 0.00 H new ATOM 531 N THR A 40 11.756 -9.772 -4.373 1.00 0.00 N ATOM 532 CA THR A 40 13.137 -10.106 -4.696 1.00 0.00 C ATOM 533 C THR A 40 13.569 -9.454 -6.005 1.00 0.00 C ATOM 534 O THR A 40 14.703 -8.994 -6.135 1.00 0.00 O ATOM 535 CB THR A 40 13.336 -11.630 -4.804 1.00 0.00 C ATOM 536 OG1 THR A 40 12.558 -12.150 -5.889 1.00 0.00 O ATOM 537 CG2 THR A 40 12.936 -12.321 -3.510 1.00 0.00 C ATOM 0 H THR A 40 11.091 -10.528 -4.534 1.00 0.00 H new ATOM 0 HA THR A 40 13.753 -9.723 -3.882 1.00 0.00 H new ATOM 0 HB THR A 40 14.392 -11.824 -4.989 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.152 -12.399 -6.627 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.085 -13.396 -3.610 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.550 -11.944 -2.692 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.886 -12.119 -3.299 1.00 0.00 H new ATOM 545 N GLU A 41 12.658 -9.419 -6.972 1.00 0.00 N ATOM 546 CA GLU A 41 12.946 -8.823 -8.271 1.00 0.00 C ATOM 547 C GLU A 41 11.731 -8.071 -8.807 1.00 0.00 C ATOM 548 O GLU A 41 10.664 -8.077 -8.193 1.00 0.00 O ATOM 549 CB GLU A 41 13.372 -9.902 -9.269 1.00 0.00 C ATOM 550 CG GLU A 41 12.231 -10.797 -9.722 1.00 0.00 C ATOM 551 CD GLU A 41 11.906 -11.883 -8.715 1.00 0.00 C ATOM 552 OE1 GLU A 41 12.800 -12.701 -8.415 1.00 0.00 O ATOM 553 OE2 GLU A 41 10.756 -11.914 -8.227 1.00 0.00 O ATOM 0 H GLU A 41 11.715 -9.796 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 41 13.763 -8.113 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.815 -9.423 -10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.148 -10.519 -8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.343 -10.188 -9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.491 -11.257 -10.675 1.00 0.00 H new ATOM 560 N ALA A 42 11.902 -7.424 -9.955 1.00 0.00 N ATOM 561 CA ALA A 42 10.820 -6.668 -10.574 1.00 0.00 C ATOM 562 C ALA A 42 9.675 -7.587 -10.988 1.00 0.00 C ATOM 563 O ALA A 42 9.869 -8.589 -11.677 1.00 0.00 O ATOM 564 CB ALA A 42 11.338 -5.894 -11.777 1.00 0.00 C ATOM 0 H ALA A 42 12.779 -7.408 -10.475 1.00 0.00 H new ATOM 0 HA ALA A 42 10.437 -5.961 -9.838 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.519 -5.334 -12.229 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.117 -5.202 -11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.749 -6.590 -12.508 1.00 0.00 H new ATOM 570 N PRO A 43 8.453 -7.241 -10.558 1.00 0.00 N ATOM 571 CA PRO A 43 7.253 -8.022 -10.872 1.00 0.00 C ATOM 572 C PRO A 43 6.869 -7.929 -12.344 1.00 0.00 C ATOM 573 O PRO A 43 6.171 -7.002 -12.757 1.00 0.00 O ATOM 574 CB PRO A 43 6.173 -7.382 -9.996 1.00 0.00 C ATOM 575 CG PRO A 43 6.646 -5.987 -9.771 1.00 0.00 C ATOM 576 CD PRO A 43 8.148 -6.060 -9.733 1.00 0.00 C ATOM 0 HA PRO A 43 7.399 -9.086 -10.683 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.202 -7.396 -10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.058 -7.918 -9.054 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.307 -5.327 -10.569 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.251 -5.587 -8.837 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.605 -5.157 -10.139 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.519 -6.175 -8.715 1.00 0.00 H new ATOM 584 N LYS A 44 7.327 -8.895 -13.133 1.00 0.00 N ATOM 585 CA LYS A 44 7.031 -8.923 -14.560 1.00 0.00 C ATOM 586 C LYS A 44 5.577 -8.540 -14.822 1.00 0.00 C ATOM 587 O LYS A 44 5.292 -7.685 -15.660 1.00 0.00 O ATOM 588 CB LYS A 44 7.313 -10.314 -15.133 1.00 0.00 C ATOM 589 CG LYS A 44 8.784 -10.569 -15.412 1.00 0.00 C ATOM 590 CD LYS A 44 9.109 -12.053 -15.374 1.00 0.00 C ATOM 591 CE LYS A 44 10.543 -12.299 -14.931 1.00 0.00 C ATOM 592 NZ LYS A 44 11.517 -12.021 -16.023 1.00 0.00 N ATOM 0 H LYS A 44 7.905 -9.670 -12.808 1.00 0.00 H new ATOM 0 HA LYS A 44 7.675 -8.195 -15.053 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.948 -11.067 -14.434 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.749 -10.438 -16.058 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.046 -10.163 -16.389 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.392 -10.043 -14.675 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.425 -12.559 -14.693 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.953 -12.486 -16.362 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.771 -11.668 -14.072 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.650 -13.333 -14.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.483 -12.201 -15.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.316 -12.641 -16.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.434 -11.027 -16.318 1.00 0.00 H new ATOM 606 N GLY A 45 4.662 -9.176 -14.097 1.00 0.00 N ATOM 607 CA GLY A 45 3.250 -8.887 -14.265 1.00 0.00 C ATOM 608 C GLY A 45 2.849 -7.569 -13.632 1.00 0.00 C ATOM 609 O GLY A 45 3.620 -6.609 -13.637 1.00 0.00 O ATOM 0 H GLY A 45 4.874 -9.886 -13.396 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.011 -8.864 -15.328 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.662 -9.692 -13.824 1.00 0.00 H new ATOM 613 N LYS A 46 1.639 -7.521 -13.087 1.00 0.00 N ATOM 614 CA LYS A 46 1.135 -6.311 -12.447 1.00 0.00 C ATOM 615 C LYS A 46 1.198 -6.432 -10.928 1.00 0.00 C ATOM 616 O LYS A 46 0.701 -7.400 -10.352 1.00 0.00 O ATOM 617 CB LYS A 46 -0.305 -6.038 -12.888 1.00 0.00 C ATOM 618 CG LYS A 46 -0.429 -5.650 -14.351 1.00 0.00 C ATOM 619 CD LYS A 46 -0.256 -4.154 -14.548 1.00 0.00 C ATOM 620 CE LYS A 46 0.187 -3.826 -15.966 1.00 0.00 C ATOM 621 NZ LYS A 46 1.668 -3.885 -16.112 1.00 0.00 N ATOM 0 H LYS A 46 0.988 -8.306 -13.075 1.00 0.00 H new ATOM 0 HA LYS A 46 1.767 -5.478 -12.754 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.907 -6.928 -12.704 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.720 -5.240 -12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.321 -6.184 -14.935 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.404 -5.957 -14.728 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.196 -3.646 -14.333 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.480 -3.775 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.275 -4.526 -16.662 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.165 -2.830 -16.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.930 -3.655 -17.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.108 -3.199 -15.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.002 -4.842 -15.880 1.00 0.00 H new ATOM 635 N TRP A 47 1.812 -5.445 -10.285 1.00 0.00 N ATOM 636 CA TRP A 47 1.938 -5.441 -8.832 1.00 0.00 C ATOM 637 C TRP A 47 1.083 -4.340 -8.214 1.00 0.00 C ATOM 638 O TRP A 47 0.832 -3.311 -8.841 1.00 0.00 O ATOM 639 CB TRP A 47 3.401 -5.255 -8.428 1.00 0.00 C ATOM 640 CG TRP A 47 3.607 -5.217 -6.943 1.00 0.00 C ATOM 641 CD1 TRP A 47 3.800 -6.285 -6.115 1.00 0.00 C ATOM 642 CD2 TRP A 47 3.638 -4.052 -6.112 1.00 0.00 C ATOM 643 NE1 TRP A 47 3.949 -5.854 -4.819 1.00 0.00 N ATOM 644 CE2 TRP A 47 3.854 -4.488 -4.791 1.00 0.00 C ATOM 645 CE3 TRP A 47 3.506 -2.682 -6.356 1.00 0.00 C ATOM 646 CZ2 TRP A 47 3.940 -3.603 -3.719 1.00 0.00 C ATOM 647 CZ3 TRP A 47 3.591 -1.805 -5.291 1.00 0.00 C ATOM 648 CH2 TRP A 47 3.808 -2.268 -3.987 1.00 0.00 C ATOM 0 H TRP A 47 2.230 -4.637 -10.747 1.00 0.00 H new ATOM 0 HA TRP A 47 1.584 -6.402 -8.459 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.993 -6.068 -8.849 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.776 -4.329 -8.863 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.831 -7.317 -6.432 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.105 -6.454 -4.009 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.341 -2.315 -7.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.105 -3.958 -2.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.488 -0.744 -5.467 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.872 -1.557 -3.177 1.00 0.00 H new ATOM 659 N TYR A 48 0.638 -4.564 -6.983 1.00 0.00 N ATOM 660 CA TYR A 48 -0.191 -3.591 -6.281 1.00 0.00 C ATOM 661 C TYR A 48 0.154 -3.551 -4.796 1.00 0.00 C ATOM 662 O TYR A 48 0.061 -4.561 -4.098 1.00 0.00 O ATOM 663 CB TYR A 48 -1.672 -3.927 -6.464 1.00 0.00 C ATOM 664 CG TYR A 48 -2.152 -3.796 -7.892 1.00 0.00 C ATOM 665 CD1 TYR A 48 -2.642 -2.588 -8.373 1.00 0.00 C ATOM 666 CD2 TYR A 48 -2.115 -4.881 -8.759 1.00 0.00 C ATOM 667 CE1 TYR A 48 -3.082 -2.465 -9.677 1.00 0.00 C ATOM 668 CE2 TYR A 48 -2.551 -4.766 -10.065 1.00 0.00 C ATOM 669 CZ TYR A 48 -3.034 -3.556 -10.519 1.00 0.00 C ATOM 670 OH TYR A 48 -3.471 -3.438 -11.819 1.00 0.00 O ATOM 0 H TYR A 48 0.837 -5.411 -6.450 1.00 0.00 H new ATOM 0 HA TYR A 48 0.007 -2.607 -6.707 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.849 -4.947 -6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.266 -3.270 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.680 -1.731 -7.717 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.739 -5.830 -8.406 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.462 -1.519 -10.035 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.514 -5.619 -10.727 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.848 -2.874 -12.324 1.00 0.00 H new ATOM 680 N CYS A 49 0.552 -2.377 -4.319 1.00 0.00 N ATOM 681 CA CYS A 49 0.911 -2.202 -2.917 1.00 0.00 C ATOM 682 C CYS A 49 -0.139 -2.830 -2.004 1.00 0.00 C ATOM 683 O CYS A 49 -1.298 -3.008 -2.380 1.00 0.00 O ATOM 684 CB CYS A 49 1.064 -0.716 -2.589 1.00 0.00 C ATOM 685 SG CYS A 49 -0.515 0.156 -2.333 1.00 0.00 S ATOM 0 H CYS A 49 0.634 -1.531 -4.884 1.00 0.00 H new ATOM 0 HA CYS A 49 1.863 -2.705 -2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.673 -0.614 -1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.608 -0.230 -3.399 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.403 1.385 -2.742 1.00 0.00 H new ATOM 690 N PRO A 50 0.275 -3.174 -0.776 1.00 0.00 N ATOM 691 CA PRO A 50 -0.613 -3.786 0.217 1.00 0.00 C ATOM 692 C PRO A 50 -1.662 -2.809 0.737 1.00 0.00 C ATOM 693 O PRO A 50 -2.608 -3.205 1.418 1.00 0.00 O ATOM 694 CB PRO A 50 0.340 -4.197 1.342 1.00 0.00 C ATOM 695 CG PRO A 50 1.501 -3.272 1.210 1.00 0.00 C ATOM 696 CD PRO A 50 1.643 -2.991 -0.260 1.00 0.00 C ATOM 0 HA PRO A 50 -1.181 -4.616 -0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.135 -4.100 2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.649 -5.237 1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.332 -2.351 1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.408 -3.725 1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.010 -1.981 -0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.346 -3.676 -0.734 1.00 0.00 H new ATOM 704 N GLN A 51 -1.487 -1.532 0.412 1.00 0.00 N ATOM 705 CA GLN A 51 -2.419 -0.499 0.848 1.00 0.00 C ATOM 706 C GLN A 51 -3.648 -0.459 -0.055 1.00 0.00 C ATOM 707 O GLN A 51 -4.747 -0.124 0.389 1.00 0.00 O ATOM 708 CB GLN A 51 -1.732 0.868 0.854 1.00 0.00 C ATOM 709 CG GLN A 51 -1.101 1.225 2.191 1.00 0.00 C ATOM 710 CD GLN A 51 -0.471 2.603 2.189 1.00 0.00 C ATOM 711 OE1 GLN A 51 0.663 2.780 2.636 1.00 0.00 O ATOM 712 NE2 GLN A 51 -1.203 3.589 1.684 1.00 0.00 N ATOM 0 H GLN A 51 -0.709 -1.188 -0.151 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.742 -0.740 1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.962 0.882 0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.462 1.633 0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.861 1.178 2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.342 0.483 2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.138 3.397 1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.830 4.538 1.656 1.00 0.00 H new ATOM 721 N CYS A 52 -3.456 -0.802 -1.324 1.00 0.00 N ATOM 722 CA CYS A 52 -4.547 -0.805 -2.290 1.00 0.00 C ATOM 723 C CYS A 52 -5.285 -2.141 -2.274 1.00 0.00 C ATOM 724 O CYS A 52 -6.496 -2.192 -2.055 1.00 0.00 O ATOM 725 CB CYS A 52 -4.013 -0.522 -3.696 1.00 0.00 C ATOM 726 SG CYS A 52 -3.577 1.223 -3.988 1.00 0.00 S ATOM 0 H CYS A 52 -2.553 -1.082 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.248 -0.019 -2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.132 -1.140 -3.870 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.764 -0.825 -4.426 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.481 1.286 -4.685 1.00 0.00 H new ATOM 731 N THR A 53 -4.546 -3.221 -2.507 1.00 0.00 N ATOM 732 CA THR A 53 -5.129 -4.557 -2.521 1.00 0.00 C ATOM 733 C THR A 53 -6.069 -4.758 -1.338 1.00 0.00 C ATOM 734 O THR A 53 -7.106 -5.410 -1.461 1.00 0.00 O ATOM 735 CB THR A 53 -4.039 -5.645 -2.487 1.00 0.00 C ATOM 736 OG1 THR A 53 -3.076 -5.407 -3.519 1.00 0.00 O ATOM 737 CG2 THR A 53 -4.649 -7.027 -2.664 1.00 0.00 C ATOM 0 H THR A 53 -3.543 -3.197 -2.689 1.00 0.00 H new ATOM 0 HA THR A 53 -5.693 -4.647 -3.449 1.00 0.00 H new ATOM 0 HB THR A 53 -3.546 -5.604 -1.516 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.415 -4.754 -3.206 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.860 -7.779 -2.637 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.360 -7.217 -1.860 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.165 -7.077 -3.623 1.00 0.00 H new ATOM 745 N ALA A 54 -5.701 -4.194 -0.192 1.00 0.00 N ATOM 746 CA ALA A 54 -6.514 -4.309 1.012 1.00 0.00 C ATOM 747 C ALA A 54 -7.822 -3.539 0.868 1.00 0.00 C ATOM 748 O ALA A 54 -8.864 -3.968 1.362 1.00 0.00 O ATOM 749 CB ALA A 54 -5.738 -3.813 2.222 1.00 0.00 C ATOM 0 H ALA A 54 -4.845 -3.653 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.757 -5.362 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.357 -3.905 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.834 -4.410 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.465 -2.768 2.076 1.00 0.00 H new ATOM 755 N ALA A 55 -7.760 -2.399 0.187 1.00 0.00 N ATOM 756 CA ALA A 55 -8.940 -1.569 -0.023 1.00 0.00 C ATOM 757 C ALA A 55 -9.836 -2.155 -1.109 1.00 0.00 C ATOM 758 O ALA A 55 -11.055 -2.221 -0.951 1.00 0.00 O ATOM 759 CB ALA A 55 -8.529 -0.150 -0.384 1.00 0.00 C ATOM 0 H ALA A 55 -6.905 -2.029 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.508 -1.545 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.420 0.459 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.935 0.274 0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.937 -0.164 -1.299 1.00 0.00 H new ATOM 765 N MET A 56 -9.225 -2.579 -2.210 1.00 0.00 N ATOM 766 CA MET A 56 -9.969 -3.160 -3.321 1.00 0.00 C ATOM 767 C MET A 56 -10.681 -4.438 -2.890 1.00 0.00 C ATOM 768 O MET A 56 -11.812 -4.700 -3.301 1.00 0.00 O ATOM 769 CB MET A 56 -9.030 -3.456 -4.492 1.00 0.00 C ATOM 770 CG MET A 56 -8.355 -2.218 -5.058 1.00 0.00 C ATOM 771 SD MET A 56 -7.804 -2.443 -6.760 1.00 0.00 S ATOM 772 CE MET A 56 -6.331 -3.431 -6.511 1.00 0.00 C ATOM 0 H MET A 56 -8.217 -2.531 -2.357 1.00 0.00 H new ATOM 0 HA MET A 56 -10.720 -2.437 -3.640 1.00 0.00 H new ATOM 0 HB2 MET A 56 -8.264 -4.159 -4.164 1.00 0.00 H new ATOM 0 HB3 MET A 56 -9.595 -3.946 -5.285 1.00 0.00 H new ATOM 0 HG2 MET A 56 -9.049 -1.378 -5.013 1.00 0.00 H new ATOM 0 HG3 MET A 56 -7.499 -1.959 -4.435 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.875 -3.653 -7.476 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.623 -2.879 -5.893 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.598 -4.363 -6.013 1.00 0.00 H new ATOM 782 N LYS A 57 -10.013 -5.231 -2.059 1.00 0.00 N ATOM 783 CA LYS A 57 -10.582 -6.481 -1.570 1.00 0.00 C ATOM 784 C LYS A 57 -11.846 -6.222 -0.756 1.00 0.00 C ATOM 785 O LYS A 57 -12.905 -6.781 -1.042 1.00 0.00 O ATOM 786 CB LYS A 57 -9.558 -7.232 -0.717 1.00 0.00 C ATOM 787 CG LYS A 57 -8.593 -8.079 -1.529 1.00 0.00 C ATOM 788 CD LYS A 57 -7.999 -9.202 -0.696 1.00 0.00 C ATOM 789 CE LYS A 57 -7.030 -8.669 0.349 1.00 0.00 C ATOM 790 NZ LYS A 57 -6.203 -9.755 0.944 1.00 0.00 N ATOM 0 H LYS A 57 -9.076 -5.030 -1.710 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.846 -7.093 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.989 -6.512 -0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.086 -7.873 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.113 -8.499 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.792 -7.449 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.800 -9.754 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.482 -9.906 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.378 -7.924 -0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.588 -8.164 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.556 -9.351 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.824 -10.453 1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.651 -10.221 0.196 1.00 0.00 H new